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 1h39_1_B DATA FIRST_RESID 10 DATA SEQUENCE AYARTLDRAV EYLLSCQKDE GYWWGPLLSN VTMEAEYVLL CHILDRVDRD DATA SEQUENCE RMEKIRRYLL HEQREDGTWA LYPGGPPDLD TTIEAYVALK YIGMSRDEEP DATA SEQUENCE MQKALRFIQS QGGIESSRVF TRMWLALVGE YPWEKVPMVP PEIMFLGKRM DATA SEQUENCE PLNIYEFGSW ARATVVALSI VMSRQPVFPL PERARVPELY ETDVPPRRRG DATA SEQUENCE AKGGGGWIFD ALDRALHGYQ KLSVHPFRRA AEIRALDWLL ERQAGDGSWG DATA SEQUENCE GIQPPWFYAL IALKILDMTQ HPAFIKGWEG LELYGVELDY GGWMFQASIS DATA SEQUENCE PVWDTGLAVL ALRAAGLPAD HDRLVKAGEW LLDRQITVPG DWAVKRPNLK DATA SEQUENCE PGGFAFQFDN VYYPDVDDTA VVVWALNTLR LPDERRRRDA MTKGFRWIVG DATA SEQUENCE MQSSNGGWGA YDVDNTSDLP NHIPFCDFGE VTDPPSEDVT AHVLECFGSF DATA SEQUENCE GYDDAWKVIR RAVEYLKREQ KPDGSWFGRW GVNYLYGTGA VVSALKAVGI DATA SEQUENCE DTREPYIQKA LDWVEQHQNP DGGWGEDCRS YEDPAYAGKG ASTPSQTAWA DATA SEQUENCE LMALIAGGRA ESEAARRGVQ YLVETQRPDG GWDEPYYTGT GFPGDFYLGY DATA SEQUENCE TMYRHVFPTL ALGRYKQAIE 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.491 177.584 -0.155 0.000 1.274 10 A CA 0.000 51.908 52.037 -0.215 0.000 0.836 10 A CB 0.000 18.917 19.000 -0.139 0.000 0.831 11 Y N 0.513 120.878 120.300 0.109 0.000 2.439 11 Y HA 0.436 4.987 4.550 0.001 0.000 0.292 11 Y C 2.370 178.337 175.900 0.113 0.000 1.130 11 Y CA 0.862 59.038 58.100 0.128 0.000 1.254 11 Y CB -1.401 37.173 38.460 0.190 0.000 1.000 11 Y HN 0.446 nan 8.280 nan 0.000 0.554 12 A N 2.123 124.954 122.820 0.019 0.000 1.870 12 A HA -0.360 3.961 4.320 0.001 0.000 0.219 12 A C 2.361 180.019 177.584 0.124 0.000 1.224 12 A CA 2.834 54.949 52.037 0.131 0.000 0.650 12 A CB -1.037 17.936 19.000 -0.045 0.000 0.836 12 A HN 0.541 nan 8.150 nan 0.000 0.454 13 R N -1.294 119.236 120.500 0.050 0.000 2.133 13 R HA -0.146 4.194 4.340 0.001 0.000 0.247 13 R C 2.288 178.621 176.300 0.056 0.000 1.151 13 R CA 1.922 58.044 56.100 0.037 0.000 0.971 13 R CB -0.938 29.365 30.300 0.005 0.000 0.866 13 R HN 0.649 nan 8.270 nan 0.000 0.447 14 T N 1.424 116.038 114.554 0.099 0.000 2.720 14 T HA -0.128 4.223 4.350 0.001 0.000 0.268 14 T C 1.843 176.630 174.700 0.145 0.000 1.037 14 T CA 0.983 63.144 62.100 0.102 0.000 1.144 14 T CB -0.118 68.872 68.868 0.204 0.000 0.864 14 T HN 0.139 nan 8.240 nan 0.000 0.444 15 L N 0.985 122.327 121.223 0.199 0.000 1.948 15 L HA -0.138 4.202 4.340 0.001 0.000 0.212 15 L C 2.595 179.542 176.870 0.129 0.000 1.074 15 L CA 1.563 56.517 54.840 0.189 0.000 0.753 15 L CB -0.580 41.598 42.059 0.198 0.000 0.888 15 L HN 0.214 nan 8.230 nan 0.000 0.432 16 D N -0.310 120.151 120.400 0.103 0.000 2.191 16 D HA -0.253 4.388 4.640 0.001 0.000 0.195 16 D C 2.224 178.561 176.300 0.062 0.000 1.003 16 D CA 1.489 55.533 54.000 0.073 0.000 0.867 16 D CB -0.191 40.642 40.800 0.056 0.000 0.926 16 D HN 0.359 nan 8.370 nan 0.000 0.450 17 R N 0.368 120.895 120.500 0.044 0.000 2.073 17 R HA 0.052 4.393 4.340 0.001 0.000 0.229 17 R C 2.425 178.754 176.300 0.048 0.000 1.120 17 R CA 0.989 57.097 56.100 0.013 0.000 0.967 17 R CB -0.195 30.070 30.300 -0.058 0.000 0.862 17 R HN 0.100 nan 8.270 nan 0.000 0.436 18 A N 0.742 123.608 122.820 0.078 0.000 1.898 18 A HA -0.099 4.222 4.320 0.001 0.000 0.216 18 A C 2.328 180.030 177.584 0.197 0.000 1.181 18 A CA 1.247 53.394 52.037 0.184 0.000 0.620 18 A CB -0.509 18.701 19.000 0.350 0.000 0.819 18 A HN 0.089 nan 8.150 nan 0.000 0.442 19 V N 1.364 121.357 119.914 0.132 0.000 2.237 19 V HA -0.323 3.798 4.120 0.001 0.000 0.245 19 V C 2.565 178.706 176.094 0.079 0.000 1.046 19 V CA 2.388 64.737 62.300 0.081 0.000 1.007 19 V CB -1.170 30.689 31.823 0.059 0.000 0.638 19 V HN 0.915 nan 8.190 nan 0.000 0.445 20 E N -0.503 119.748 120.200 0.084 0.000 2.267 20 E HA -0.310 4.040 4.350 0.001 0.000 0.197 20 E C 2.123 178.775 176.600 0.087 0.000 0.998 20 E CA 1.911 58.355 56.400 0.072 0.000 0.830 20 E CB -0.535 29.203 29.700 0.063 0.000 0.751 20 E HN 0.707 nan 8.360 nan 0.000 0.491 21 Y N 1.602 121.898 120.300 -0.007 0.000 2.184 21 Y HA -0.025 4.526 4.550 0.001 0.000 0.290 21 Y C 2.017 177.913 175.900 -0.006 0.000 1.129 21 Y CA 1.184 59.265 58.100 -0.033 0.000 1.144 21 Y CB -0.192 38.229 38.460 -0.066 0.000 0.995 21 Y HN -0.042 nan 8.280 nan 0.000 0.513 22 L N -0.398 120.816 121.223 -0.015 0.000 2.013 22 L HA -0.295 4.046 4.340 0.001 0.000 0.212 22 L C 2.425 179.402 176.870 0.179 0.000 1.073 22 L CA 1.631 56.453 54.840 -0.029 0.000 0.753 22 L CB -0.820 41.185 42.059 -0.090 0.000 0.890 22 L HN 0.272 nan 8.230 nan 0.000 0.432 23 L N -0.375 120.925 121.223 0.128 0.000 2.261 23 L HA -0.196 4.144 4.340 0.001 0.000 0.216 23 L C 2.741 179.588 176.870 -0.038 0.000 1.114 23 L CA 1.379 56.285 54.840 0.110 0.000 0.777 23 L CB -0.558 41.526 42.059 0.040 0.000 0.910 23 L HN 0.418 nan 8.230 nan 0.000 0.440 24 S N -2.177 113.457 115.700 -0.110 0.000 2.470 24 S HA -0.102 4.369 4.470 0.001 0.000 0.225 24 S C 1.846 176.301 174.600 -0.241 0.000 1.006 24 S CA 0.498 58.592 58.200 -0.177 0.000 0.934 24 S CB -0.510 62.580 63.200 -0.184 0.000 0.778 24 S HN 0.429 nan 8.310 nan 0.000 0.517 25 C N 1.389 120.536 119.300 -0.255 0.000 2.563 25 C HA 0.295 4.755 4.460 0.001 0.000 0.268 25 C C 1.378 176.228 174.990 -0.233 0.000 1.365 25 C CA -0.551 58.338 59.018 -0.215 0.000 1.754 25 C CB -1.350 26.276 27.740 -0.190 0.000 1.932 25 C HN 0.735 nan 8.230 nan 0.000 0.536 26 Q N 1.831 121.399 119.800 -0.387 0.000 2.315 26 Q HA 0.055 4.395 4.340 0.001 0.000 0.289 26 Q C -0.164 175.399 176.000 -0.728 0.000 1.044 26 Q CA 0.662 55.831 55.803 -1.057 0.000 0.920 26 Q CB 0.609 28.604 28.738 -1.237 0.000 1.214 26 Q HN 0.306 nan 8.270 nan 0.000 0.392 27 K N 2.547 122.432 120.400 -0.858 0.000 2.140 27 K HA 0.064 4.385 4.320 0.001 0.000 0.237 27 K C 0.290 176.512 176.600 -0.631 0.000 1.045 27 K CA 0.072 55.931 56.287 -0.714 0.000 0.896 27 K CB 0.420 32.324 32.500 -0.995 0.000 1.122 27 K HN 0.616 nan 8.250 nan 0.000 0.503 28 D N 0.589 120.716 120.400 -0.455 0.000 2.084 28 D HA -0.127 4.514 4.640 0.001 0.000 0.196 28 D C 1.101 177.207 176.300 -0.324 0.000 0.985 28 D CA 1.257 55.065 54.000 -0.319 0.000 0.826 28 D CB -0.035 40.642 40.800 -0.205 0.000 0.978 28 D HN 0.481 nan 8.370 nan 0.000 0.456 29 E N -0.322 119.671 120.200 -0.345 0.000 2.333 29 E HA 0.007 4.358 4.350 0.001 0.000 0.200 29 E C 1.534 177.958 176.600 -0.293 0.000 1.010 29 E CA 1.189 57.465 56.400 -0.207 0.000 0.841 29 E CB -0.415 29.269 29.700 -0.027 0.000 0.757 29 E HN 0.415 nan 8.360 nan 0.000 0.508 30 G N -1.159 107.320 108.800 -0.536 0.000 2.163 30 G HA2 -0.261 3.700 3.960 0.001 0.000 0.213 30 G HA3 -0.261 3.700 3.960 0.001 0.000 0.213 30 G C -0.115 174.363 174.900 -0.703 0.000 0.991 30 G CA 0.060 44.852 45.100 -0.514 0.000 0.653 30 G HN 0.334 nan 8.290 nan 0.000 0.518 31 Y N -1.362 118.401 120.300 -0.896 0.000 2.602 31 Y HA 0.879 5.429 4.550 0.001 0.000 0.330 31 Y C -0.077 175.404 175.900 -0.697 0.000 1.114 31 Y CA -3.088 54.468 58.100 -0.906 0.000 1.182 31 Y CB 1.051 38.542 38.460 -1.615 0.000 1.305 31 Y HN 0.079 nan 8.280 nan 0.000 0.502 32 W N 1.290 122.584 121.300 -0.009 0.000 2.627 32 W HA 0.373 5.034 4.660 0.001 0.000 0.339 32 W C -1.754 174.939 176.519 0.291 0.000 1.058 32 W CA -0.859 56.512 57.345 0.043 0.000 1.223 32 W CB 2.066 31.505 29.460 -0.035 0.000 1.389 32 W HN 0.786 nan 8.180 nan 0.000 0.541 33 W N 2.686 124.127 121.300 0.235 0.000 2.783 33 W HA 0.460 5.120 4.660 0.001 0.000 0.304 33 W C -1.029 175.528 176.519 0.063 0.000 1.056 33 W CA -1.327 56.086 57.345 0.113 0.000 1.175 33 W CB 0.317 29.866 29.460 0.149 0.000 1.029 33 W HN 0.374 nan 8.180 nan 0.000 0.331 34 G N 4.684 113.590 108.800 0.178 0.000 2.389 34 G HA2 0.650 4.610 3.960 0.001 0.000 0.317 34 G HA3 0.650 4.610 3.960 0.001 0.000 0.317 34 G C -2.735 172.077 174.900 -0.147 0.000 1.137 34 G CA -1.427 43.660 45.100 -0.021 0.000 0.870 34 G HN 0.133 nan 8.290 nan 0.000 0.496 35 P HA 0.152 nan 4.420 nan 0.000 0.270 35 P C -0.557 176.641 177.300 -0.169 0.000 1.223 35 P CA -0.386 62.560 63.100 -0.256 0.000 0.785 35 P CB 0.828 32.374 31.700 -0.257 0.000 0.923 36 L N 3.383 124.508 121.223 -0.162 0.000 2.294 36 L HA 0.326 4.667 4.340 0.001 0.000 0.283 36 L C -1.196 175.560 176.870 -0.190 0.000 1.015 36 L CA -0.382 54.321 54.840 -0.228 0.000 0.831 36 L CB 0.272 42.228 42.059 -0.171 0.000 1.217 36 L HN 0.085 nan 8.230 nan 0.000 0.420 37 L N 4.063 125.135 121.223 -0.251 0.000 2.357 37 L HA 0.647 4.987 4.340 0.001 0.000 0.273 37 L C 0.820 177.550 176.870 -0.234 0.000 1.080 37 L CA 0.121 54.872 54.840 -0.149 0.000 0.803 37 L CB 0.955 42.993 42.059 -0.034 0.000 1.174 37 L HN 0.898 nan 8.230 nan 0.000 0.443 38 S N 1.968 117.687 115.700 0.031 0.000 4.057 38 S HA 0.546 5.017 4.470 0.001 0.000 0.197 38 S C -0.223 174.555 174.600 0.298 0.000 1.154 38 S CA -0.282 57.942 58.200 0.041 0.000 1.556 38 S CB 1.244 64.511 63.200 0.111 0.000 1.405 38 S HN 0.672 nan 8.310 nan 0.000 0.786 39 N N -0.377 118.506 118.700 0.305 0.000 2.831 39 N HA 0.476 5.216 4.740 0.001 0.000 0.276 39 N C 0.342 176.006 175.510 0.256 0.000 1.416 39 N CA -0.371 52.859 53.050 0.301 0.000 0.799 39 N CB 1.241 39.915 38.487 0.311 0.000 1.554 39 N HN 0.826 nan 8.380 nan 0.000 0.541 40 V N -3.112 116.899 119.914 0.162 0.000 3.510 40 V HA 0.019 4.140 4.120 0.001 0.000 0.270 40 V C 1.358 177.438 176.094 -0.023 0.000 1.201 40 V CA 1.443 63.796 62.300 0.088 0.000 1.166 40 V CB -1.805 29.920 31.823 -0.163 0.000 0.825 40 V HN 0.874 nan 8.190 nan 0.000 0.484 41 T N -2.862 111.677 114.554 -0.025 0.000 2.915 41 T HA -0.089 4.261 4.350 0.001 0.000 0.269 41 T C 1.833 176.406 174.700 -0.211 0.000 1.071 41 T CA 1.383 63.392 62.100 -0.150 0.000 1.132 41 T CB -0.349 68.431 68.868 -0.146 0.000 0.878 41 T HN 0.349 nan 8.240 nan 0.000 0.479 42 M N 1.675 121.215 119.600 -0.100 0.000 2.066 42 M HA -0.026 4.455 4.480 0.001 0.000 0.259 42 M C 2.281 178.514 176.300 -0.111 0.000 1.074 42 M CA 1.816 57.017 55.300 -0.164 0.000 1.114 42 M CB -1.249 31.365 32.600 0.022 0.000 1.306 42 M HN 0.265 nan 8.290 nan 0.000 0.411 43 E N 0.665 120.887 120.200 0.036 0.000 2.153 43 E HA -0.051 4.299 4.350 0.001 0.000 0.194 43 E C 2.083 178.745 176.600 0.102 0.000 0.988 43 E CA 1.483 57.962 56.400 0.132 0.000 0.811 43 E CB -0.516 29.310 29.700 0.210 0.000 0.746 43 E HN 0.532 nan 8.360 nan 0.000 0.466 44 A N 0.900 123.694 122.820 -0.044 0.000 1.873 44 A HA -0.191 4.129 4.320 0.001 0.000 0.215 44 A C 1.985 179.421 177.584 -0.247 0.000 1.186 44 A CA 1.473 53.431 52.037 -0.132 0.000 0.616 44 A CB -0.425 18.440 19.000 -0.226 0.000 0.823 44 A HN 0.183 nan 8.150 nan 0.000 0.442 45 E N -1.704 118.226 120.200 -0.450 0.000 2.150 45 E HA -0.187 4.163 4.350 0.001 0.000 0.193 45 E C 1.747 178.152 176.600 -0.325 0.000 0.985 45 E CA 1.246 57.124 56.400 -0.870 0.000 0.814 45 E CB -0.275 28.697 29.700 -1.213 0.000 0.752 45 E HN 0.782 nan 8.360 nan 0.000 0.466 46 Y N 0.898 121.142 120.300 -0.094 0.000 2.145 46 Y HA -0.258 4.293 4.550 0.001 0.000 0.286 46 Y C 2.084 177.982 175.900 -0.003 0.000 1.145 46 Y CA 1.231 59.382 58.100 0.084 0.000 1.148 46 Y CB -0.372 38.154 38.460 0.109 0.000 0.981 46 Y HN -0.183 nan 8.280 nan 0.000 0.507 47 V N 0.756 120.810 119.914 0.233 0.000 2.324 47 V HA -0.360 3.760 4.120 0.001 0.000 0.250 47 V C 2.486 178.554 176.094 -0.043 0.000 1.060 47 V CA 2.211 64.597 62.300 0.143 0.000 1.042 47 V CB -0.824 31.081 31.823 0.137 0.000 0.650 47 V HN 0.475 nan 8.190 nan 0.000 0.450 48 L N -1.071 120.098 121.223 -0.089 0.000 2.056 48 L HA -0.146 4.195 4.340 0.001 0.000 0.207 48 L C 2.439 179.373 176.870 0.107 0.000 1.078 48 L CA 1.012 55.846 54.840 -0.010 0.000 0.749 48 L CB -0.596 41.506 42.059 0.072 0.000 0.901 48 L HN 0.341 nan 8.230 nan 0.000 0.433 49 L N -0.249 121.027 121.223 0.088 0.000 2.012 49 L HA -0.254 4.087 4.340 0.001 0.000 0.210 49 L C 2.566 179.341 176.870 -0.158 0.000 1.073 49 L CA 1.831 56.675 54.840 0.007 0.000 0.748 49 L CB -0.786 41.146 42.059 -0.212 0.000 0.891 49 L HN 0.255 nan 8.230 nan 0.000 0.431 50 C N -0.716 118.454 119.300 -0.217 0.000 2.413 50 C HA -0.214 4.246 4.460 0.001 0.000 0.277 50 C C 2.740 177.680 174.990 -0.082 0.000 1.228 50 C CA 1.120 60.054 59.018 -0.140 0.000 1.731 50 C CB -1.370 26.328 27.740 -0.069 0.000 2.042 50 C HN 0.832 nan 8.230 nan 0.000 0.468 51 H N 1.064 120.053 119.070 -0.135 0.000 2.319 51 H HA -0.118 4.438 4.556 0.001 0.000 0.299 51 H C 1.915 177.147 175.328 -0.159 0.000 1.092 51 H CA 2.084 58.054 56.048 -0.129 0.000 1.302 51 H CB -0.340 29.213 29.762 -0.348 0.000 1.373 51 H HN 0.291 nan 8.280 nan 0.000 0.497 52 I N 0.619 120.924 120.570 -0.442 0.000 2.076 52 I HA -0.257 3.914 4.170 0.001 0.000 0.237 52 I C 2.385 178.087 176.117 -0.692 0.000 1.059 52 I CA 1.260 62.123 61.300 -0.728 0.000 1.317 52 I CB -1.263 36.430 38.000 -0.511 0.000 1.037 52 I HN 0.347 nan 8.210 nan 0.000 0.398 53 L N 0.338 121.305 121.223 -0.427 0.000 2.633 53 L HA -0.127 4.213 4.340 0.001 0.000 0.235 53 L C 0.373 177.057 176.870 -0.310 0.000 1.163 53 L CA 0.523 55.160 54.840 -0.338 0.000 0.859 53 L CB -0.841 41.040 42.059 -0.298 0.000 0.973 53 L HN 0.360 nan 8.230 nan 0.000 0.451 54 D N 1.222 121.451 120.400 -0.285 0.000 2.723 54 D HA -0.217 4.423 4.640 0.001 0.000 0.236 54 D C 0.122 176.339 176.300 -0.139 0.000 1.138 54 D CA 0.639 54.534 54.000 -0.175 0.000 0.676 54 D CB -0.356 40.351 40.800 -0.155 0.000 1.069 54 D HN 0.349 nan 8.370 nan 0.000 0.430 55 R N 0.052 120.467 120.500 -0.142 0.000 2.585 55 R HA 0.388 4.728 4.340 0.001 0.000 0.278 55 R C -0.933 175.390 176.300 0.038 0.000 1.663 55 R CA -0.690 55.347 56.100 -0.105 0.000 1.592 55 R CB 1.437 31.539 30.300 -0.331 0.000 1.200 55 R HN -0.036 nan 8.270 nan 0.000 0.611 56 V N 1.548 121.504 119.914 0.071 0.000 2.370 56 V HA 0.145 4.265 4.120 0.001 0.000 0.279 56 V C -0.182 175.969 176.094 0.095 0.000 1.029 56 V CA -0.621 61.751 62.300 0.120 0.000 0.870 56 V CB 1.719 33.647 31.823 0.174 0.000 0.984 56 V HN 0.434 nan 8.190 nan 0.000 0.451 57 D N 4.328 124.784 120.400 0.094 0.000 2.427 57 D HA 0.298 4.938 4.640 0.001 0.000 0.226 57 D C 1.249 177.570 176.300 0.035 0.000 1.076 57 D CA -0.546 53.487 54.000 0.056 0.000 0.849 57 D CB 0.908 41.732 40.800 0.040 0.000 1.052 57 D HN 0.196 nan 8.370 nan 0.000 0.515 58 R N 2.560 123.076 120.500 0.027 0.000 2.139 58 R HA -0.156 4.185 4.340 0.001 0.000 0.243 58 R C 1.257 177.561 176.300 0.008 0.000 1.145 58 R CA 0.957 57.067 56.100 0.016 0.000 0.976 58 R CB -0.352 29.953 30.300 0.008 0.000 0.866 58 R HN 0.675 nan 8.270 nan 0.000 0.449 59 D N 0.165 120.564 120.400 -0.002 0.000 2.117 59 D HA -0.170 4.471 4.640 0.001 0.000 0.198 59 D C 1.862 178.138 176.300 -0.040 0.000 0.982 59 D CA 0.878 54.870 54.000 -0.013 0.000 0.828 59 D CB 0.210 40.999 40.800 -0.018 0.000 0.967 59 D HN -0.008 nan 8.370 nan 0.000 0.464 60 R N 0.096 120.547 120.500 -0.082 0.000 2.075 60 R HA -0.042 4.299 4.340 0.001 0.000 0.232 60 R C 2.398 178.650 176.300 -0.079 0.000 1.126 60 R CA 1.062 57.050 56.100 -0.186 0.000 0.963 60 R CB -0.619 29.509 30.300 -0.288 0.000 0.858 60 R HN 0.129 nan 8.270 nan 0.000 0.435 61 M N 0.899 120.500 119.600 0.002 0.000 2.144 61 M HA -0.171 4.309 4.480 0.001 0.000 0.260 61 M C 1.782 178.124 176.300 0.070 0.000 1.067 61 M CA 1.600 56.938 55.300 0.063 0.000 1.095 61 M CB -0.917 31.724 32.600 0.068 0.000 1.365 61 M HN 0.146 nan 8.290 nan 0.000 0.406 62 E N 0.688 120.918 120.200 0.049 0.000 2.017 62 E HA -0.140 4.210 4.350 0.001 0.000 0.193 62 E C 2.002 178.667 176.600 0.109 0.000 0.997 62 E CA 1.232 57.673 56.400 0.069 0.000 0.804 62 E CB -0.323 29.407 29.700 0.050 0.000 0.757 62 E HN 0.507 nan 8.360 nan 0.000 0.448 63 K N 0.335 120.790 120.400 0.093 0.000 2.160 63 K HA -0.102 4.218 4.320 0.001 0.000 0.206 63 K C 2.243 178.985 176.600 0.237 0.000 1.047 63 K CA 0.927 57.303 56.287 0.149 0.000 0.930 63 K CB -0.147 32.422 32.500 0.114 0.000 0.720 63 K HN 0.157 nan 8.250 nan 0.000 0.450 64 I N 0.222 120.915 120.570 0.206 0.000 2.406 64 I HA -0.205 3.965 4.170 0.001 0.000 0.249 64 I C 2.635 178.928 176.117 0.294 0.000 1.122 64 I CA 0.746 62.215 61.300 0.281 0.000 1.431 64 I CB -0.141 37.990 38.000 0.218 0.000 1.087 64 I HN 0.154 nan 8.210 nan 0.000 0.424 65 R N 1.222 121.851 120.500 0.216 0.000 2.081 65 R HA -0.138 4.203 4.340 0.001 0.000 0.235 65 R C 2.478 178.919 176.300 0.234 0.000 1.131 65 R CA 1.275 57.491 56.100 0.193 0.000 0.960 65 R CB -0.040 30.340 30.300 0.134 0.000 0.856 65 R HN 0.260 nan 8.270 nan 0.000 0.436 66 R N -0.682 119.974 120.500 0.261 0.000 2.080 66 R HA -0.229 4.111 4.340 0.001 0.000 0.236 66 R C 2.286 178.825 176.300 0.399 0.000 1.137 66 R CA 1.971 58.252 56.100 0.302 0.000 0.943 66 R CB -0.871 29.646 30.300 0.362 0.000 0.846 66 R HN 0.307 nan 8.270 nan 0.000 0.431 67 Y N 2.051 122.568 120.300 0.362 0.000 2.053 67 Y HA -0.269 4.282 4.550 0.001 0.000 0.277 67 Y C 2.136 178.237 175.900 0.335 0.000 1.159 67 Y CA 1.645 59.973 58.100 0.381 0.000 1.125 67 Y CB -0.617 38.003 38.460 0.267 0.000 0.969 67 Y HN -0.048 nan 8.280 nan 0.000 0.492 68 L N -0.801 120.561 121.223 0.231 0.000 1.990 68 L HA -0.317 4.023 4.340 0.001 0.000 0.213 68 L C 2.519 179.607 176.870 0.362 0.000 1.072 68 L CA 1.259 56.208 54.840 0.181 0.000 0.755 68 L CB -0.931 41.228 42.059 0.167 0.000 0.889 68 L HN 0.312 nan 8.230 nan 0.000 0.432 69 L N -0.642 120.745 121.223 0.273 0.000 1.989 69 L HA -0.288 4.053 4.340 0.001 0.000 0.211 69 L C 2.677 179.582 176.870 0.058 0.000 1.071 69 L CA 1.958 56.906 54.840 0.181 0.000 0.749 69 L CB -1.817 40.311 42.059 0.115 0.000 0.890 69 L HN 0.455 nan 8.230 nan 0.000 0.431 70 H N 0.504 119.536 119.070 -0.063 0.000 2.426 70 H HA -0.167 4.389 4.556 0.001 0.000 0.298 70 H C 1.423 176.644 175.328 -0.179 0.000 1.107 70 H CA 1.453 57.377 56.048 -0.207 0.000 1.298 70 H CB 0.473 29.989 29.762 -0.411 0.000 1.377 70 H HN 0.336 nan 8.280 nan 0.000 0.519 71 E N 0.688 120.909 120.200 0.034 0.000 2.479 71 E HA -0.020 4.330 4.350 0.001 0.000 0.193 71 E C 0.573 177.098 176.600 -0.126 0.000 1.049 71 E CA -0.003 56.407 56.400 0.017 0.000 0.870 71 E CB 0.142 29.835 29.700 -0.011 0.000 0.944 71 E HN 0.599 nan 8.360 nan 0.000 0.492 72 Q N 1.308 120.916 119.800 -0.321 0.000 2.286 72 Q HA 0.213 4.553 4.340 0.001 0.000 0.257 72 Q C -0.473 175.182 176.000 -0.574 0.000 0.941 72 Q CA -0.430 54.836 55.803 -0.895 0.000 0.912 72 Q CB 0.694 28.907 28.738 -0.875 0.000 1.192 72 Q HN -0.150 nan 8.270 nan 0.000 0.410 73 R N 1.925 122.078 120.500 -0.578 0.000 2.541 73 R HA 0.121 4.462 4.340 0.001 0.000 0.263 73 R C 1.059 177.153 176.300 -0.344 0.000 1.112 73 R CA -0.321 55.548 56.100 -0.385 0.000 1.170 73 R CB 0.340 30.442 30.300 -0.331 0.000 1.167 73 R HN 0.718 nan 8.270 nan 0.000 0.582 74 E N 0.940 120.989 120.200 -0.252 0.000 2.070 74 E HA -0.276 4.075 4.350 0.001 0.000 0.197 74 E C 1.068 177.548 176.600 -0.200 0.000 1.004 74 E CA 2.122 58.401 56.400 -0.201 0.000 0.805 74 E CB -0.185 29.424 29.700 -0.152 0.000 0.744 74 E HN 0.699 nan 8.360 nan 0.000 0.451 75 D N -0.654 119.618 120.400 -0.213 0.000 2.354 75 D HA -0.091 4.549 4.640 0.001 0.000 0.216 75 D C 1.209 177.373 176.300 -0.226 0.000 0.970 75 D CA 1.033 54.913 54.000 -0.199 0.000 0.905 75 D CB -0.301 40.363 40.800 -0.226 0.000 0.903 75 D HN 0.320 nan 8.370 nan 0.000 0.508 76 G N -0.490 108.123 108.800 -0.312 0.000 2.142 76 G HA2 -0.207 3.753 3.960 0.001 0.000 0.225 76 G HA3 -0.207 3.753 3.960 0.001 0.000 0.225 76 G C 0.338 174.937 174.900 -0.501 0.000 1.015 76 G CA 0.484 45.370 45.100 -0.357 0.000 0.716 76 G HN 0.855 nan 8.290 nan 0.000 0.508 77 T N -3.389 110.801 114.554 -0.606 0.000 2.807 77 T HA 0.803 5.154 4.350 0.001 0.000 0.277 77 T C -0.523 173.803 174.700 -0.623 0.000 1.006 77 T CA -0.974 60.805 62.100 -0.534 0.000 1.006 77 T CB 2.346 70.823 68.868 -0.651 0.000 1.274 77 T HN 0.574 nan 8.240 nan 0.000 0.569 78 W N -0.164 121.055 121.300 -0.134 0.000 3.022 78 W HA 0.681 5.342 4.660 0.001 0.000 0.335 78 W C -0.213 176.265 176.519 -0.069 0.000 1.133 78 W CA -1.161 56.134 57.345 -0.083 0.000 1.219 78 W CB 2.344 31.794 29.460 -0.017 0.000 1.409 78 W HN 1.102 nan 8.180 nan 0.000 0.507 79 A N 1.722 124.616 122.820 0.123 0.000 2.392 79 A HA 0.721 5.041 4.320 0.001 0.000 0.283 79 A C 0.368 178.042 177.584 0.150 0.000 1.197 79 A CA -0.532 51.536 52.037 0.052 0.000 0.895 79 A CB 1.091 19.988 19.000 -0.172 0.000 1.400 79 A HN 0.691 nan 8.150 nan 0.000 0.461 80 L N -1.071 120.285 121.223 0.222 0.000 2.375 80 L HA 0.161 4.501 4.340 0.001 0.000 0.215 80 L C -0.198 176.951 176.870 0.466 0.000 1.108 80 L CA 0.652 55.752 54.840 0.432 0.000 0.830 80 L CB -0.419 42.027 42.059 0.644 0.000 0.959 80 L HN 0.752 nan 8.230 nan 0.000 0.457 81 Y N -2.890 117.411 120.300 0.002 0.000 2.571 81 Y HA 0.588 5.139 4.550 0.001 0.000 0.341 81 Y C -2.930 172.770 175.900 -0.333 0.000 1.076 81 Y CA -4.186 53.708 58.100 -0.342 0.000 1.029 81 Y CB -0.420 37.878 38.460 -0.270 0.000 1.308 81 Y HN -0.223 nan 8.280 nan 0.000 0.461 82 P HA 0.159 nan 4.420 nan 0.000 0.260 82 P C 0.668 177.869 177.300 -0.165 0.000 1.185 82 P CA 1.712 64.646 63.100 -0.276 0.000 0.763 82 P CB 0.569 32.108 31.700 -0.269 0.000 0.776 83 G N 2.172 110.849 108.800 -0.206 0.000 2.225 83 G HA2 -0.080 3.881 3.960 0.001 0.000 0.264 83 G HA3 -0.080 3.881 3.960 0.001 0.000 0.264 83 G C 0.338 175.035 174.900 -0.340 0.000 1.060 83 G CA -0.268 44.739 45.100 -0.154 0.000 0.833 83 G HN 0.909 nan 8.290 nan 0.000 0.498 84 G N -0.425 107.997 108.800 -0.629 0.000 2.489 84 G HA2 0.856 4.817 3.960 0.001 0.000 0.327 84 G HA3 0.856 4.817 3.960 0.001 0.000 0.327 84 G C -2.025 172.609 174.900 -0.445 0.000 1.189 84 G CA -1.034 43.486 45.100 -0.967 0.000 0.962 84 G HN 0.236 nan 8.290 nan 0.000 0.486 85 P HA 0.172 nan 4.420 nan 0.000 0.268 85 P C -2.513 174.740 177.300 -0.079 0.000 1.205 85 P CA -0.862 62.183 63.100 -0.091 0.000 0.771 85 P CB 0.511 32.231 31.700 0.034 0.000 0.858 86 P HA -0.007 nan 4.420 nan 0.000 0.264 86 P C -0.299 177.067 177.300 0.110 0.000 1.193 86 P CA 0.521 63.502 63.100 -0.198 0.000 0.763 86 P CB 0.636 31.908 31.700 -0.713 0.000 0.810 87 D N 2.868 123.384 120.400 0.193 0.000 2.177 87 D HA 0.067 4.708 4.640 0.001 0.000 0.247 87 D C 0.893 177.467 176.300 0.457 0.000 1.063 87 D CA -0.568 53.625 54.000 0.321 0.000 0.867 87 D CB 1.558 42.527 40.800 0.281 0.000 1.168 87 D HN 0.077 nan 8.370 nan 0.000 0.445 88 L N 4.599 126.053 121.223 0.385 0.000 1.993 88 L HA -0.093 4.247 4.340 0.001 0.000 0.206 88 L C 1.623 178.600 176.870 0.179 0.000 1.074 88 L CA 1.689 56.682 54.840 0.254 0.000 0.746 88 L CB -0.536 41.547 42.059 0.041 0.000 0.896 88 L HN 0.453 nan 8.230 nan 0.000 0.435 89 D N -0.787 119.690 120.400 0.128 0.000 2.127 89 D HA -0.236 4.405 4.640 0.001 0.000 0.190 89 D C 1.919 178.255 176.300 0.059 0.000 1.000 89 D CA 2.319 56.357 54.000 0.064 0.000 0.839 89 D CB -0.699 40.135 40.800 0.056 0.000 0.955 89 D HN 0.397 nan 8.370 nan 0.000 0.446 90 T N 1.052 115.673 114.554 0.111 0.000 2.597 90 T HA -0.170 4.181 4.350 0.001 0.000 0.267 90 T C 2.146 176.863 174.700 0.027 0.000 1.053 90 T CA 2.384 64.526 62.100 0.070 0.000 1.165 90 T CB -0.785 68.185 68.868 0.169 0.000 0.863 90 T HN 0.196 nan 8.240 nan 0.000 0.427 91 T N 2.141 116.832 114.554 0.229 0.000 2.720 91 T HA -0.024 4.326 4.350 0.001 0.000 0.268 91 T C 1.996 176.815 174.700 0.198 0.000 1.037 91 T CA 1.058 63.384 62.100 0.376 0.000 1.144 91 T CB -0.499 68.755 68.868 0.642 0.000 0.864 91 T HN 0.330 nan 8.240 nan 0.000 0.444 92 I N 0.972 121.623 120.570 0.135 0.000 2.099 92 I HA -0.207 3.964 4.170 0.001 0.000 0.239 92 I C 2.708 178.854 176.117 0.050 0.000 1.066 92 I CA 1.592 62.936 61.300 0.075 0.000 1.324 92 I CB -0.470 37.526 38.000 -0.006 0.000 1.037 92 I HN 0.336 nan 8.210 nan 0.000 0.401 93 E N 0.923 121.093 120.200 -0.049 0.000 2.058 93 E HA -0.244 4.106 4.350 0.001 0.000 0.194 93 E C 2.324 178.815 176.600 -0.182 0.000 0.997 93 E CA 1.415 57.739 56.400 -0.126 0.000 0.801 93 E CB -0.241 29.339 29.700 -0.200 0.000 0.746 93 E HN 0.533 nan 8.360 nan 0.000 0.450 94 A N 0.795 123.417 122.820 -0.329 0.000 1.933 94 A HA -0.228 4.093 4.320 0.001 0.000 0.218 94 A C 2.027 179.418 177.584 -0.322 0.000 1.175 94 A CA 1.465 53.153 52.037 -0.583 0.000 0.628 94 A CB -0.773 17.291 19.000 -1.559 0.000 0.814 94 A HN 0.411 nan 8.150 nan 0.000 0.444 95 Y N 0.873 121.046 120.300 -0.212 0.000 2.097 95 Y HA -0.221 4.329 4.550 0.001 0.000 0.282 95 Y C 2.362 178.265 175.900 0.005 0.000 1.152 95 Y CA 2.212 60.314 58.100 0.004 0.000 1.136 95 Y CB -0.475 38.034 38.460 0.082 0.000 0.975 95 Y HN 0.070 nan 8.280 nan 0.000 0.498 96 V N 0.811 120.745 119.914 0.033 0.000 2.287 96 V HA -0.357 3.764 4.120 0.001 0.000 0.248 96 V C 2.720 178.770 176.094 -0.073 0.000 1.053 96 V CA 1.820 64.103 62.300 -0.029 0.000 1.027 96 V CB -1.876 29.971 31.823 0.039 0.000 0.646 96 V HN 0.590 nan 8.190 nan 0.000 0.447 97 A N 0.141 122.916 122.820 -0.075 0.000 1.859 97 A HA -0.235 4.085 4.320 0.001 0.000 0.217 97 A C 2.265 179.860 177.584 0.018 0.000 1.198 97 A CA 2.326 54.347 52.037 -0.027 0.000 0.629 97 A CB -0.743 18.217 19.000 -0.067 0.000 0.830 97 A HN 0.488 nan 8.150 nan 0.000 0.446 98 L N -0.831 120.361 121.223 -0.053 0.000 2.012 98 L HA -0.252 4.088 4.340 0.001 0.000 0.210 98 L C 2.696 179.526 176.870 -0.067 0.000 1.073 98 L CA 2.153 56.973 54.840 -0.033 0.000 0.748 98 L CB -0.451 41.591 42.059 -0.028 0.000 0.891 98 L HN 0.491 nan 8.230 nan 0.000 0.431 99 K N -0.936 119.356 120.400 -0.180 0.000 2.211 99 K HA -0.267 4.054 4.320 0.001 0.000 0.204 99 K C 2.178 178.757 176.600 -0.035 0.000 1.047 99 K CA 1.544 57.735 56.287 -0.159 0.000 0.935 99 K CB -0.168 32.169 32.500 -0.271 0.000 0.728 99 K HN 0.212 nan 8.250 nan 0.000 0.452 100 Y N 1.004 121.242 120.300 -0.103 0.000 2.206 100 Y HA -0.069 4.482 4.550 0.001 0.000 0.292 100 Y C 1.654 177.529 175.900 -0.042 0.000 1.123 100 Y CA 1.344 59.399 58.100 -0.074 0.000 1.142 100 Y CB -0.092 38.321 38.460 -0.079 0.000 1.006 100 Y HN -0.037 nan 8.280 nan 0.000 0.518 101 I N -0.545 120.016 120.570 -0.014 0.000 2.315 101 I HA -0.257 3.914 4.170 0.001 0.000 0.251 101 I C 2.077 178.124 176.117 -0.117 0.000 1.125 101 I CA 1.878 63.139 61.300 -0.066 0.000 1.392 101 I CB -0.549 37.480 38.000 0.048 0.000 1.065 101 I HN 0.554 nan 8.210 nan 0.000 0.424 102 G N -1.364 107.380 108.800 -0.093 0.000 4.018 102 G HA2 -0.030 3.931 3.960 0.001 0.000 0.195 102 G HA3 -0.030 3.931 3.960 0.001 0.000 0.195 102 G C 0.351 175.222 174.900 -0.047 0.000 1.019 102 G CA -0.604 44.450 45.100 -0.076 0.000 0.871 102 G HN -0.051 nan 8.290 nan 0.000 0.339 103 M N 2.773 122.355 119.600 -0.031 0.000 2.167 103 M HA 0.119 4.599 4.480 0.001 0.000 0.386 103 M C 0.934 177.215 176.300 -0.031 0.000 1.170 103 M CA 0.674 55.960 55.300 -0.023 0.000 0.808 103 M CB -0.332 32.252 32.600 -0.027 0.000 1.822 103 M HN 0.675 nan 8.290 nan 0.000 0.501 104 S N 3.035 118.733 115.700 -0.003 0.000 2.565 104 S HA 0.513 4.984 4.470 0.001 0.000 0.290 104 S C 0.856 175.479 174.600 0.039 0.000 1.150 104 S CA -1.053 57.155 58.200 0.013 0.000 1.058 104 S CB 1.489 64.702 63.200 0.022 0.000 1.032 104 S HN 0.756 nan 8.310 nan 0.000 0.510 105 R N 0.833 121.374 120.500 0.068 0.000 2.397 105 R HA -0.071 4.269 4.340 0.001 0.000 0.213 105 R C -0.015 176.360 176.300 0.126 0.000 1.102 105 R CA 1.276 57.462 56.100 0.142 0.000 1.040 105 R CB -0.580 29.827 30.300 0.178 0.000 0.844 105 R HN 0.604 nan 8.270 nan 0.000 0.478 106 D N 1.616 122.066 120.400 0.083 0.000 2.214 106 D HA -0.061 4.580 4.640 0.001 0.000 0.217 106 D C -0.025 176.314 176.300 0.066 0.000 0.973 106 D CA 0.322 54.363 54.000 0.068 0.000 0.880 106 D CB -0.309 40.520 40.800 0.048 0.000 1.031 106 D HN 0.265 nan 8.370 nan 0.000 0.468 107 E N 2.114 122.347 120.200 0.056 0.000 3.495 107 E HA -0.202 4.148 4.350 0.001 0.000 0.272 107 E C 0.931 177.565 176.600 0.057 0.000 0.845 107 E CA 0.321 56.750 56.400 0.049 0.000 0.974 107 E CB 0.599 30.327 29.700 0.047 0.000 0.919 107 E HN 0.358 nan 8.360 nan 0.000 0.556 108 E N 4.210 124.432 120.200 0.037 0.000 2.136 108 E HA -0.240 4.110 4.350 0.001 0.000 0.208 108 E C -0.842 175.779 176.600 0.034 0.000 1.035 108 E CA 1.882 58.299 56.400 0.029 0.000 0.838 108 E CB -0.384 29.320 29.700 0.007 0.000 0.748 108 E HN 0.364 nan 8.360 nan 0.000 0.459 109 P HA -0.202 nan 4.420 nan 0.000 0.215 109 P C 1.385 178.753 177.300 0.112 0.000 1.157 109 P CA 1.613 64.732 63.100 0.032 0.000 0.874 109 P CB -0.042 31.681 31.700 0.040 0.000 0.790 110 M N -1.290 118.408 119.600 0.163 0.000 2.086 110 M HA -0.163 4.318 4.480 0.001 0.000 0.261 110 M C 2.092 178.556 176.300 0.273 0.000 1.067 110 M CA 1.742 57.219 55.300 0.295 0.000 1.116 110 M CB -1.794 30.949 32.600 0.240 0.000 1.348 110 M HN 0.018 nan 8.290 nan 0.000 0.407 111 Q N 0.954 120.850 119.800 0.160 0.000 2.045 111 Q HA -0.168 4.172 4.340 0.001 0.000 0.206 111 Q C 2.060 178.111 176.000 0.086 0.000 0.991 111 Q CA 1.660 57.529 55.803 0.109 0.000 0.851 111 Q CB -0.473 28.307 28.738 0.070 0.000 0.911 111 Q HN 0.563 nan 8.270 nan 0.000 0.418 112 K N 0.052 120.491 120.400 0.065 0.000 2.032 112 K HA -0.120 4.200 4.320 0.001 0.000 0.209 112 K C 2.107 178.757 176.600 0.083 0.000 1.048 112 K CA 1.296 57.608 56.287 0.041 0.000 0.927 112 K CB -0.227 32.261 32.500 -0.019 0.000 0.712 112 K HN 0.162 nan 8.250 nan 0.000 0.441 113 A N 1.824 124.718 122.820 0.123 0.000 1.877 113 A HA -0.144 4.177 4.320 0.001 0.000 0.216 113 A C 2.159 179.817 177.584 0.123 0.000 1.186 113 A CA 1.096 53.261 52.037 0.213 0.000 0.620 113 A CB -0.720 18.521 19.000 0.400 0.000 0.822 113 A HN 0.255 nan 8.150 nan 0.000 0.443 114 L N -0.762 120.458 121.223 -0.005 0.000 2.081 114 L HA -0.237 4.104 4.340 0.001 0.000 0.212 114 L C 2.875 179.701 176.870 -0.074 0.000 1.080 114 L CA 1.477 56.202 54.840 -0.191 0.000 0.754 114 L CB -0.280 41.701 42.059 -0.130 0.000 0.893 114 L HN 0.410 nan 8.230 nan 0.000 0.433 115 R N -1.071 119.438 120.500 0.016 0.000 2.066 115 R HA -0.198 4.142 4.340 0.001 0.000 0.232 115 R C 2.218 178.552 176.300 0.056 0.000 1.131 115 R CA 1.667 57.785 56.100 0.030 0.000 0.955 115 R CB -0.709 29.621 30.300 0.050 0.000 0.851 115 R HN 0.314 nan 8.270 nan 0.000 0.432 116 F N 2.081 122.014 119.950 -0.027 0.000 2.095 116 F HA -0.176 4.352 4.527 0.001 0.000 0.298 116 F C 2.038 177.827 175.800 -0.018 0.000 1.104 116 F CA 1.300 59.291 58.000 -0.014 0.000 1.232 116 F CB -0.384 38.615 39.000 -0.002 0.000 0.987 116 F HN -0.128 nan 8.300 nan 0.000 0.475 117 I N 0.258 120.693 120.570 -0.225 0.000 2.208 117 I HA -0.342 3.828 4.170 0.001 0.000 0.245 117 I C 2.407 178.351 176.117 -0.288 0.000 1.097 117 I CA 1.661 62.755 61.300 -0.344 0.000 1.363 117 I CB -0.695 37.178 38.000 -0.211 0.000 1.051 117 I HN 0.315 nan 8.210 nan 0.000 0.413 118 Q N 0.405 120.094 119.800 -0.185 0.000 2.079 118 Q HA -0.154 4.186 4.340 0.001 0.000 0.200 118 Q C 2.315 178.243 176.000 -0.120 0.000 0.974 118 Q CA 1.877 57.605 55.803 -0.125 0.000 0.840 118 Q CB -0.234 28.460 28.738 -0.072 0.000 0.898 118 Q HN 0.584 nan 8.270 nan 0.000 0.430 119 S N 0.369 115.995 115.700 -0.123 0.000 2.528 119 S HA -0.119 4.352 4.470 0.001 0.000 0.244 119 S C 1.537 176.056 174.600 -0.135 0.000 0.982 119 S CA 0.766 58.911 58.200 -0.091 0.000 0.953 119 S CB 0.042 63.219 63.200 -0.038 0.000 0.754 119 S HN 0.234 nan 8.310 nan 0.000 0.529 120 Q N 0.083 119.746 119.800 -0.229 0.000 2.281 120 Q HA 0.325 4.666 4.340 0.001 0.000 0.215 120 Q C 1.368 177.288 176.000 -0.134 0.000 0.867 120 Q CA 0.710 56.381 55.803 -0.220 0.000 0.940 120 Q CB 0.723 29.223 28.738 -0.397 0.000 1.111 120 Q HN 0.766 nan 8.270 nan 0.000 0.513 121 G N -0.108 108.626 108.800 -0.110 0.000 2.175 121 G HA2 -0.058 3.902 3.960 0.001 0.000 0.182 121 G HA3 -0.058 3.902 3.960 0.001 0.000 0.182 121 G C 0.601 175.463 174.900 -0.063 0.000 1.003 121 G CA 0.081 45.145 45.100 -0.060 0.000 0.666 121 G HN 0.683 nan 8.290 nan 0.000 0.506 122 G N -0.362 108.370 108.800 -0.113 0.000 2.641 122 G HA2 -0.137 3.823 3.960 0.001 0.000 0.254 122 G HA3 -0.137 3.823 3.960 0.001 0.000 0.254 122 G C 1.145 175.960 174.900 -0.143 0.000 1.315 122 G CA 0.409 45.430 45.100 -0.131 0.000 0.907 122 G HN 1.416 nan 8.290 nan 0.000 0.572 123 I N 0.240 120.687 120.570 -0.205 0.000 2.236 123 I HA -0.176 3.994 4.170 0.001 0.000 0.249 123 I C 2.350 178.379 176.117 -0.147 0.000 1.102 123 I CA 2.548 63.705 61.300 -0.239 0.000 1.365 123 I CB -0.151 37.594 38.000 -0.423 0.000 1.051 123 I HN 0.570 nan 8.210 nan 0.000 0.420 124 E N 0.642 120.825 120.200 -0.028 0.000 2.501 124 E HA -0.128 4.222 4.350 0.001 0.000 0.203 124 E C 1.727 178.331 176.600 0.006 0.000 1.072 124 E CA 0.760 57.194 56.400 0.055 0.000 0.885 124 E CB -0.121 29.650 29.700 0.119 0.000 0.813 124 E HN 0.504 nan 8.360 nan 0.000 0.556 125 S N -0.167 115.509 115.700 -0.040 0.000 2.559 125 S HA 0.043 4.513 4.470 0.001 0.000 0.226 125 S C 0.647 175.222 174.600 -0.041 0.000 1.000 125 S CA -0.256 57.925 58.200 -0.033 0.000 0.948 125 S CB 0.538 63.712 63.200 -0.043 0.000 0.870 125 S HN 0.223 nan 8.310 nan 0.000 0.497 126 S N 2.711 118.365 115.700 -0.077 0.000 2.603 126 S HA 0.420 4.890 4.470 0.001 0.000 0.268 126 S C 0.313 174.870 174.600 -0.072 0.000 1.317 126 S CA -1.005 57.151 58.200 -0.074 0.000 1.012 126 S CB 0.496 63.625 63.200 -0.118 0.000 0.926 126 S HN 0.543 nan 8.310 nan 0.000 0.539 127 R N 0.844 121.317 120.500 -0.044 0.000 2.811 127 R HA 0.193 4.534 4.340 0.001 0.000 0.265 127 R C 0.844 177.060 176.300 -0.140 0.000 1.026 127 R CA -0.572 55.491 56.100 -0.062 0.000 1.142 127 R CB -0.239 30.047 30.300 -0.024 0.000 1.027 127 R HN 0.391 nan 8.270 nan 0.000 0.465 128 V N 1.086 120.854 119.914 -0.244 0.000 2.231 128 V HA -0.323 3.798 4.120 0.001 0.000 0.250 128 V C 2.160 178.116 176.094 -0.231 0.000 1.058 128 V CA 2.116 64.225 62.300 -0.317 0.000 1.022 128 V CB -0.906 30.554 31.823 -0.605 0.000 0.640 128 V HN 0.699 nan 8.190 nan 0.000 0.445 129 F N 0.991 120.808 119.950 -0.221 0.000 2.045 129 F HA -0.284 4.243 4.527 0.001 0.000 0.297 129 F C 2.690 178.529 175.800 0.065 0.000 1.114 129 F CA 2.253 60.212 58.000 -0.069 0.000 1.207 129 F CB -1.822 37.133 39.000 -0.074 0.000 0.964 129 F HN 0.126 nan 8.300 nan 0.000 0.486 130 T N -0.133 114.527 114.554 0.177 0.000 2.653 130 T HA -0.265 4.086 4.350 0.001 0.000 0.268 130 T C 2.115 176.802 174.700 -0.021 0.000 1.035 130 T CA 1.897 64.040 62.100 0.071 0.000 1.154 130 T CB -0.369 68.472 68.868 -0.045 0.000 0.862 130 T HN 0.203 nan 8.240 nan 0.000 0.441 131 R N 0.187 120.576 120.500 -0.186 0.000 2.096 131 R HA 0.049 4.389 4.340 0.001 0.000 0.235 131 R C 2.583 178.713 176.300 -0.283 0.000 1.127 131 R CA 1.298 57.114 56.100 -0.474 0.000 0.968 131 R CB -0.356 29.534 30.300 -0.683 0.000 0.861 131 R HN 0.437 nan 8.270 nan 0.000 0.440 132 M N -0.435 119.088 119.600 -0.129 0.000 2.067 132 M HA -0.205 4.276 4.480 0.001 0.000 0.260 132 M C 1.479 177.669 176.300 -0.183 0.000 1.069 132 M CA 1.839 57.021 55.300 -0.196 0.000 1.117 132 M CB -0.211 32.356 32.600 -0.056 0.000 1.334 132 M HN 0.150 nan 8.290 nan 0.000 0.407 133 W N 0.930 122.207 121.300 -0.038 0.000 2.317 133 W HA -0.218 4.442 4.660 0.001 0.000 0.318 133 W C 2.169 178.669 176.519 -0.031 0.000 1.227 133 W CA 1.534 58.887 57.345 0.014 0.000 1.269 133 W CB -0.684 28.789 29.460 0.021 0.000 1.155 133 W HN 0.214 nan 8.180 nan 0.000 0.484 134 L N -0.287 121.029 121.223 0.156 0.000 2.127 134 L HA -0.252 4.089 4.340 0.001 0.000 0.211 134 L C 2.557 179.454 176.870 0.045 0.000 1.089 134 L CA 1.231 56.119 54.840 0.080 0.000 0.757 134 L CB -1.173 40.877 42.059 -0.016 0.000 0.899 134 L HN 0.040 nan 8.230 nan 0.000 0.434 135 A N 0.094 122.847 122.820 -0.112 0.000 1.898 135 A HA -0.146 4.174 4.320 0.001 0.000 0.216 135 A C 2.218 179.633 177.584 -0.282 0.000 1.181 135 A CA 1.210 53.022 52.037 -0.374 0.000 0.620 135 A CB -0.640 17.740 19.000 -1.033 0.000 0.819 135 A HN 0.352 nan 8.150 nan 0.000 0.442 136 L N 0.001 121.148 121.223 -0.127 0.000 2.187 136 L HA -0.160 4.181 4.340 0.001 0.000 0.213 136 L C 2.117 179.167 176.870 0.300 0.000 1.100 136 L CA 1.445 56.407 54.840 0.202 0.000 0.765 136 L CB -0.313 41.867 42.059 0.202 0.000 0.904 136 L HN 0.474 nan 8.230 nan 0.000 0.437 137 V N -4.062 116.000 119.914 0.247 0.000 3.542 137 V HA 0.477 4.597 4.120 0.001 0.000 0.296 137 V C 1.216 177.436 176.094 0.211 0.000 1.364 137 V CA 0.253 62.725 62.300 0.287 0.000 1.118 137 V CB -0.268 31.705 31.823 0.249 0.000 0.972 137 V HN 0.440 nan 8.190 nan 0.000 0.430 138 G N 1.033 109.931 108.800 0.162 0.000 2.149 138 G HA2 -0.196 3.764 3.960 0.001 0.000 0.235 138 G HA3 -0.196 3.764 3.960 0.001 0.000 0.235 138 G C 0.185 175.174 174.900 0.149 0.000 1.018 138 G CA 0.408 45.593 45.100 0.142 0.000 0.728 138 G HN 0.550 nan 8.290 nan 0.000 0.508 139 E N -1.196 119.103 120.200 0.166 0.000 2.569 139 E HA 0.361 4.711 4.350 0.001 0.000 0.205 139 E C -0.384 176.421 176.600 0.341 0.000 1.006 139 E CA -0.269 56.264 56.400 0.221 0.000 0.985 139 E CB 0.515 30.321 29.700 0.176 0.000 1.060 139 E HN 0.673 nan 8.360 nan 0.000 0.460 140 Y N 0.696 121.046 120.300 0.083 0.000 2.465 140 Y HA 0.206 4.757 4.550 0.001 0.000 0.323 140 Y C -2.673 173.221 175.900 -0.010 0.000 1.191 140 Y CA -2.029 56.120 58.100 0.082 0.000 1.082 140 Y CB 1.746 40.207 38.460 0.001 0.000 1.334 140 Y HN -0.153 nan 8.280 nan 0.000 0.449 141 P HA 0.018 nan 4.420 nan 0.000 0.271 141 P C 0.144 177.342 177.300 -0.170 0.000 1.220 141 P CA 0.295 63.230 63.100 -0.275 0.000 0.768 141 P CB 0.798 32.309 31.700 -0.315 0.000 0.848 142 W N 2.101 123.397 121.300 -0.005 0.000 2.374 142 W HA -0.128 4.533 4.660 0.001 0.000 0.288 142 W C 2.020 178.621 176.519 0.137 0.000 1.218 142 W CA 0.871 58.265 57.345 0.081 0.000 1.245 142 W CB -0.361 29.125 29.460 0.044 0.000 1.126 142 W HN 0.427 nan 8.180 nan 0.000 0.545 143 E N 0.190 120.577 120.200 0.312 0.000 2.160 143 E HA -0.186 4.164 4.350 0.001 0.000 0.195 143 E C 1.454 178.091 176.600 0.063 0.000 0.991 143 E CA 1.247 57.810 56.400 0.272 0.000 0.810 143 E CB -0.302 29.461 29.700 0.105 0.000 0.742 143 E HN 0.178 nan 8.360 nan 0.000 0.466 144 K N 0.435 120.849 120.400 0.023 0.000 2.476 144 K HA 0.123 4.444 4.320 0.001 0.000 0.196 144 K C -0.544 176.193 176.600 0.229 0.000 1.025 144 K CA 0.031 56.332 56.287 0.023 0.000 1.138 144 K CB 0.667 33.111 32.500 -0.092 0.000 0.860 144 K HN -0.036 nan 8.250 nan 0.000 0.515 145 V N 2.758 122.882 119.914 0.351 0.000 2.370 145 V HA 0.191 4.312 4.120 0.001 0.000 0.283 145 V C -2.401 173.971 176.094 0.464 0.000 1.023 145 V CA -2.576 59.950 62.300 0.377 0.000 0.857 145 V CB 1.229 33.259 31.823 0.344 0.000 0.985 145 V HN -0.005 nan 8.190 nan 0.000 0.443 146 P HA -0.005 nan 4.420 nan 0.000 0.260 146 P C -0.322 177.181 177.300 0.337 0.000 1.172 146 P CA 0.180 63.504 63.100 0.373 0.000 0.760 146 P CB 0.235 32.112 31.700 0.295 0.000 0.773 147 M N 5.348 125.085 119.600 0.230 0.000 2.185 147 M HA 0.260 4.741 4.480 0.001 0.000 0.357 147 M C -1.107 175.152 176.300 -0.069 0.000 1.260 147 M CA 0.083 55.352 55.300 -0.053 0.000 1.124 147 M CB 0.584 32.984 32.600 -0.333 0.000 1.600 147 M HN -0.003 nan 8.290 nan 0.000 0.467 148 V N 8.604 128.411 119.914 -0.178 0.000 2.398 148 V HA 0.481 4.601 4.120 0.001 0.000 0.282 148 V C -2.244 173.701 176.094 -0.248 0.000 1.014 148 V CA -1.204 60.935 62.300 -0.269 0.000 0.838 148 V CB 1.285 32.794 31.823 -0.524 0.000 1.018 148 V HN 0.801 nan 8.190 nan 0.000 0.432 149 P HA 0.299 nan 4.420 nan 0.000 0.278 149 P C -2.489 174.695 177.300 -0.194 0.000 1.238 149 P CA -1.755 61.249 63.100 -0.159 0.000 0.794 149 P CB 1.703 33.371 31.700 -0.054 0.000 0.955 150 P HA -0.143 nan 4.420 nan 0.000 0.217 150 P C 1.178 178.310 177.300 -0.280 0.000 1.150 150 P CA 1.494 64.451 63.100 -0.238 0.000 0.832 150 P CB -0.040 31.542 31.700 -0.197 0.000 0.787 151 E N -0.518 119.595 120.200 -0.144 0.000 2.273 151 E HA -0.178 4.172 4.350 0.001 0.000 0.198 151 E C 1.797 178.311 176.600 -0.144 0.000 1.002 151 E CA 0.492 56.853 56.400 -0.066 0.000 0.828 151 E CB -1.235 28.611 29.700 0.243 0.000 0.747 151 E HN 0.299 nan 8.360 nan 0.000 0.491 152 I N -0.011 120.453 120.570 -0.175 0.000 2.502 152 I HA -0.279 3.891 4.170 0.001 0.000 0.258 152 I C 1.163 177.129 176.117 -0.251 0.000 1.172 152 I CA 0.961 62.157 61.300 -0.174 0.000 1.430 152 I CB 0.075 37.932 38.000 -0.239 0.000 1.086 152 I HN 0.141 nan 8.210 nan 0.000 0.440 153 M N -0.152 119.196 119.600 -0.419 0.000 2.632 153 M HA -0.112 4.369 4.480 0.001 0.000 0.256 153 M C 1.241 177.322 176.300 -0.364 0.000 1.080 153 M CA 1.244 56.262 55.300 -0.470 0.000 1.084 153 M CB -1.010 31.238 32.600 -0.586 0.000 1.439 153 M HN 0.223 nan 8.290 nan 0.000 0.509 154 F N -0.329 119.590 119.950 -0.052 0.000 2.765 154 F HA 0.236 4.763 4.527 0.001 0.000 0.302 154 F C 0.902 176.691 175.800 -0.019 0.000 1.111 154 F CA -0.562 57.418 58.000 -0.033 0.000 1.359 154 F CB -0.603 38.376 39.000 -0.036 0.000 1.097 154 F HN -0.093 nan 8.300 nan 0.000 0.577 155 L N 0.550 121.843 121.223 0.118 0.000 2.410 155 L HA 0.289 4.630 4.340 0.001 0.000 0.273 155 L C 1.241 178.169 176.870 0.097 0.000 1.144 155 L CA -0.374 54.521 54.840 0.092 0.000 0.863 155 L CB -0.084 42.010 42.059 0.058 0.000 1.140 155 L HN 0.147 nan 8.230 nan 0.000 0.463 156 G N 2.422 111.278 108.800 0.093 0.000 2.684 156 G HA2 0.057 4.018 3.960 0.001 0.000 0.255 156 G HA3 0.057 4.018 3.960 0.001 0.000 0.255 156 G C 0.705 175.674 174.900 0.115 0.000 1.219 156 G CA -0.456 44.701 45.100 0.094 0.000 0.901 156 G HN 0.760 nan 8.290 nan 0.000 0.548 157 K N -0.120 120.346 120.400 0.110 0.000 2.103 157 K HA -0.091 4.229 4.320 0.001 0.000 0.207 157 K C 1.451 178.110 176.600 0.099 0.000 1.048 157 K CA 1.074 57.432 56.287 0.118 0.000 0.930 157 K CB 0.003 32.531 32.500 0.047 0.000 0.716 157 K HN 0.449 nan 8.250 nan 0.000 0.444 158 R N 1.087 121.628 120.500 0.069 0.000 3.472 158 R HA 0.323 4.663 4.340 0.001 0.000 0.322 158 R C -0.483 175.849 176.300 0.052 0.000 1.330 158 R CA 0.022 56.155 56.100 0.055 0.000 1.387 158 R CB -0.247 30.075 30.300 0.037 0.000 1.446 158 R HN 0.047 nan 8.270 nan 0.000 0.628 159 M N 1.249 120.888 119.600 0.064 0.000 2.691 159 M HA 0.498 4.978 4.480 0.001 0.000 0.293 159 M C -2.471 173.865 176.300 0.060 0.000 1.259 159 M CA -2.309 53.026 55.300 0.057 0.000 0.827 159 M CB 3.332 35.968 32.600 0.060 0.000 1.753 159 M HN -0.044 nan 8.290 nan 0.000 0.465 160 P HA 0.163 nan 4.420 nan 0.000 0.271 160 P C -0.270 177.074 177.300 0.072 0.000 1.233 160 P CA 0.271 63.405 63.100 0.058 0.000 0.764 160 P CB 0.374 32.110 31.700 0.061 0.000 0.825 161 L N -0.236 121.026 121.223 0.064 0.000 3.898 161 L HA -0.282 4.059 4.340 0.001 0.000 0.407 161 L C 0.537 177.526 176.870 0.198 0.000 1.207 161 L CA 0.289 55.204 54.840 0.126 0.000 0.931 161 L CB -2.131 40.006 42.059 0.130 0.000 2.014 161 L HN 0.560 nan 8.230 nan 0.000 0.858 162 N N 0.641 119.428 118.700 0.144 0.000 2.503 162 N HA 0.346 5.087 4.740 0.001 0.000 0.267 162 N C 1.401 176.968 175.510 0.094 0.000 1.214 162 N CA -0.109 52.998 53.050 0.094 0.000 0.959 162 N CB 0.532 39.093 38.487 0.124 0.000 1.142 162 N HN 0.354 nan 8.380 nan 0.000 0.455 163 I N -3.076 117.383 120.570 -0.185 0.000 2.761 163 I HA -0.220 3.951 4.170 0.001 0.000 0.266 163 I C 0.045 175.948 176.117 -0.356 0.000 1.239 163 I CA 1.221 62.242 61.300 -0.464 0.000 1.451 163 I CB -0.537 36.939 38.000 -0.874 0.000 1.096 163 I HN 0.452 nan 8.210 nan 0.000 0.465 164 Y N 1.393 121.759 120.300 0.110 0.000 2.493 164 Y HA 0.259 4.809 4.550 0.001 0.000 0.275 164 Y C 1.823 177.802 175.900 0.131 0.000 1.183 164 Y CA -0.091 58.089 58.100 0.133 0.000 1.258 164 Y CB -0.196 38.334 38.460 0.116 0.000 1.108 164 Y HN 0.287 nan 8.280 nan 0.000 0.521 165 E N -0.737 119.610 120.200 0.244 0.000 2.476 165 E HA 0.099 4.450 4.350 0.001 0.000 0.199 165 E C -0.505 176.054 176.600 -0.068 0.000 1.021 165 E CA 0.036 56.477 56.400 0.067 0.000 0.907 165 E CB 0.347 30.026 29.700 -0.033 0.000 0.974 165 E HN 0.171 nan 8.360 nan 0.000 0.489 166 F N 0.827 120.716 119.950 -0.101 0.000 2.403 166 F HA 0.399 4.926 4.527 0.001 0.000 0.326 166 F C 1.342 177.004 175.800 -0.231 0.000 1.081 166 F CA -0.811 57.084 58.000 -0.174 0.000 1.041 166 F CB 0.647 39.518 39.000 -0.215 0.000 1.234 166 F HN -0.217 nan 8.300 nan 0.000 0.503 167 G N 0.205 108.851 108.800 -0.256 0.000 2.594 167 G HA2 0.290 4.251 3.960 0.001 0.000 0.243 167 G HA3 0.290 4.251 3.960 0.001 0.000 0.243 167 G C 0.828 175.380 174.900 -0.581 0.000 1.229 167 G CA 0.046 44.760 45.100 -0.643 0.000 0.843 167 G HN 0.807 nan 8.290 nan 0.000 0.578 168 S N 0.393 115.866 115.700 -0.377 0.000 2.372 168 S HA -0.284 4.187 4.470 0.001 0.000 0.227 168 S C 1.961 176.414 174.600 -0.244 0.000 1.044 168 S CA 2.319 60.388 58.200 -0.218 0.000 1.050 168 S CB -0.890 62.150 63.200 -0.266 0.000 0.901 168 S HN 1.001 nan 8.310 nan 0.000 0.447 169 W N 2.462 123.755 121.300 -0.011 0.000 2.374 169 W HA 0.314 4.974 4.660 0.001 0.000 0.288 169 W C 2.351 178.963 176.519 0.156 0.000 1.218 169 W CA 0.558 57.944 57.345 0.068 0.000 1.245 169 W CB -0.897 28.694 29.460 0.218 0.000 1.126 169 W HN 0.370 nan 8.180 nan 0.000 0.545 170 A N 1.172 123.918 122.820 -0.123 0.000 1.930 170 A HA -0.012 4.308 4.320 0.001 0.000 0.215 170 A C 2.238 179.788 177.584 -0.057 0.000 1.176 170 A CA 1.364 53.460 52.037 0.099 0.000 0.632 170 A CB -0.866 18.192 19.000 0.096 0.000 0.819 170 A HN 0.360 nan 8.150 nan 0.000 0.445 171 R N -0.040 120.357 120.500 -0.172 0.000 2.132 171 R HA -0.223 4.117 4.340 0.001 0.000 0.233 171 R C 2.316 178.399 176.300 -0.361 0.000 1.125 171 R CA 2.065 57.958 56.100 -0.345 0.000 0.914 171 R CB -0.596 29.578 30.300 -0.211 0.000 0.845 171 R HN 0.402 nan 8.270 nan 0.000 0.431 172 A N -0.106 122.659 122.820 -0.093 0.000 1.917 172 A HA -0.203 4.118 4.320 0.001 0.000 0.219 172 A C 2.249 179.828 177.584 -0.008 0.000 1.182 172 A CA 2.346 54.422 52.037 0.065 0.000 0.633 172 A CB -1.103 18.103 19.000 0.342 0.000 0.819 172 A HN 0.619 nan 8.150 nan 0.000 0.448 173 T N -0.273 114.317 114.554 0.060 0.000 2.684 173 T HA -0.146 4.205 4.350 0.001 0.000 0.267 173 T C 1.880 176.527 174.700 -0.089 0.000 1.036 173 T CA 1.716 63.895 62.100 0.133 0.000 1.148 173 T CB -0.549 68.500 68.868 0.301 0.000 0.863 173 T HN 0.212 nan 8.240 nan 0.000 0.436 174 V N 1.310 121.070 119.914 -0.257 0.000 2.261 174 V HA -0.154 3.967 4.120 0.001 0.000 0.246 174 V C 2.719 178.536 176.094 -0.461 0.000 1.047 174 V CA 1.330 63.345 62.300 -0.475 0.000 1.015 174 V CB -0.920 30.472 31.823 -0.718 0.000 0.642 174 V HN 0.316 nan 8.190 nan 0.000 0.446 175 V N 0.631 120.249 119.914 -0.493 0.000 2.282 175 V HA -0.319 3.802 4.120 0.001 0.000 0.249 175 V C 2.749 178.670 176.094 -0.287 0.000 1.057 175 V CA 2.284 64.302 62.300 -0.470 0.000 1.032 175 V CB -1.377 30.076 31.823 -0.618 0.000 0.645 175 V HN 0.563 nan 8.190 nan 0.000 0.447 176 A N -0.220 122.479 122.820 -0.201 0.000 1.858 176 A HA -0.154 4.166 4.320 0.001 0.000 0.216 176 A C 2.240 179.729 177.584 -0.158 0.000 1.190 176 A CA 1.942 53.897 52.037 -0.138 0.000 0.617 176 A CB -0.606 18.363 19.000 -0.051 0.000 0.827 176 A HN 0.492 nan 8.150 nan 0.000 0.443 177 L N 0.583 121.676 121.223 -0.218 0.000 2.042 177 L HA -0.236 4.105 4.340 0.001 0.000 0.210 177 L C 3.085 179.800 176.870 -0.258 0.000 1.076 177 L CA 1.645 56.328 54.840 -0.260 0.000 0.749 177 L CB -0.681 41.160 42.059 -0.362 0.000 0.893 177 L HN 0.661 nan 8.230 nan 0.000 0.432 178 S N 0.627 116.144 115.700 -0.306 0.000 2.381 178 S HA -0.286 4.185 4.470 0.001 0.000 0.230 178 S C 1.898 176.352 174.600 -0.244 0.000 1.052 178 S CA 1.767 59.791 58.200 -0.293 0.000 1.068 178 S CB -1.008 62.003 63.200 -0.315 0.000 0.918 178 S HN 0.407 nan 8.310 nan 0.000 0.448 179 I N 1.501 121.945 120.570 -0.210 0.000 2.208 179 I HA -0.154 4.017 4.170 0.001 0.000 0.245 179 I C 2.500 178.511 176.117 -0.176 0.000 1.097 179 I CA 1.312 62.508 61.300 -0.174 0.000 1.363 179 I CB -0.604 37.319 38.000 -0.130 0.000 1.051 179 I HN 0.263 nan 8.210 nan 0.000 0.413 180 V N 0.543 120.361 119.914 -0.161 0.000 2.283 180 V HA -0.259 3.861 4.120 0.001 0.000 0.243 180 V C 2.381 178.307 176.094 -0.280 0.000 1.039 180 V CA 1.768 63.980 62.300 -0.146 0.000 1.016 180 V CB -0.596 31.196 31.823 -0.053 0.000 0.650 180 V HN 0.369 nan 8.190 nan 0.000 0.449 181 M N 0.171 119.608 119.600 -0.272 0.000 2.446 181 M HA -0.130 4.350 4.480 0.001 0.000 0.263 181 M C 2.390 178.425 176.300 -0.441 0.000 1.066 181 M CA 1.540 56.607 55.300 -0.388 0.000 1.087 181 M CB -0.594 31.885 32.600 -0.202 0.000 1.406 181 M HN 0.433 nan 8.290 nan 0.000 0.459 182 S N 0.486 115.973 115.700 -0.356 0.000 2.383 182 S HA -0.054 4.417 4.470 0.001 0.000 0.227 182 S C 1.990 176.359 174.600 -0.386 0.000 1.026 182 S CA 1.006 58.997 58.200 -0.349 0.000 0.981 182 S CB 0.076 63.111 63.200 -0.275 0.000 0.818 182 S HN 0.387 nan 8.310 nan 0.000 0.472 183 R N 0.589 120.864 120.500 -0.375 0.000 2.237 183 R HA 0.270 4.610 4.340 0.001 0.000 0.195 183 R C 0.168 176.164 176.300 -0.507 0.000 0.956 183 R CA 0.118 56.001 56.100 -0.361 0.000 1.029 183 R CB -0.847 29.300 30.300 -0.255 0.000 0.972 183 R HN 0.560 nan 8.270 nan 0.000 0.493 184 Q N 1.449 120.782 119.800 -0.778 0.000 2.437 184 Q HA -0.137 4.204 4.340 0.001 0.000 0.354 184 Q C -2.107 173.390 176.000 -0.838 0.000 1.402 184 Q CA 0.112 55.055 55.803 -1.434 0.000 1.020 184 Q CB -1.227 26.648 28.738 -1.438 0.000 1.220 184 Q HN 0.293 nan 8.270 nan 0.000 0.368 185 P HA 0.339 nan 4.420 nan 0.000 0.276 185 P C -0.399 176.797 177.300 -0.174 0.000 1.244 185 P CA -0.335 62.569 63.100 -0.327 0.000 0.801 185 P CB 1.417 32.917 31.700 -0.333 0.000 1.006 186 V N 2.389 122.066 119.914 -0.396 0.000 2.577 186 V HA 0.329 4.450 4.120 0.001 0.000 0.303 186 V C -0.653 175.159 176.094 -0.471 0.000 1.042 186 V CA -0.292 61.886 62.300 -0.203 0.000 0.872 186 V CB 1.355 33.193 31.823 0.026 0.000 0.998 186 V HN 0.333 nan 8.190 nan 0.000 0.423 187 F N 5.020 125.058 119.950 0.146 0.000 2.363 187 F HA 0.475 5.003 4.527 0.001 0.000 0.366 187 F C -2.242 173.697 175.800 0.232 0.000 1.083 187 F CA -2.714 55.351 58.000 0.109 0.000 1.176 187 F CB 1.093 40.093 39.000 0.001 0.000 1.432 187 F HN 0.292 nan 8.300 nan 0.000 0.482 188 P HA -0.065 nan 4.420 nan 0.000 0.261 188 P C -0.299 177.205 177.300 0.340 0.000 1.165 188 P CA 0.575 63.833 63.100 0.264 0.000 0.759 188 P CB 0.581 32.389 31.700 0.180 0.000 0.772 189 L N 5.824 127.177 121.223 0.217 0.000 2.357 189 L HA 0.439 4.780 4.340 0.001 0.000 0.273 189 L C -1.657 175.291 176.870 0.130 0.000 1.080 189 L CA -2.292 52.610 54.840 0.102 0.000 0.803 189 L CB 0.696 42.782 42.059 0.044 0.000 1.174 189 L HN 0.264 nan 8.230 nan 0.000 0.443 190 P HA 0.058 nan 4.420 nan 0.000 0.269 190 P C -0.196 177.153 177.300 0.083 0.000 1.209 190 P CA -0.254 62.908 63.100 0.104 0.000 0.776 190 P CB 0.968 32.717 31.700 0.083 0.000 0.876 191 E N 1.748 121.991 120.200 0.073 0.000 2.136 191 E HA -0.247 4.103 4.350 0.001 0.000 0.202 191 E C 2.066 178.701 176.600 0.058 0.000 1.019 191 E CA 1.500 57.939 56.400 0.066 0.000 0.819 191 E CB -0.544 29.189 29.700 0.056 0.000 0.739 191 E HN 0.466 nan 8.360 nan 0.000 0.458 192 R N 0.026 120.552 120.500 0.042 0.000 2.204 192 R HA -0.177 4.163 4.340 0.001 0.000 0.253 192 R C 1.286 177.604 176.300 0.030 0.000 1.172 192 R CA 1.587 57.702 56.100 0.025 0.000 0.994 192 R CB -0.123 30.176 30.300 -0.001 0.000 0.874 192 R HN 0.260 nan 8.270 nan 0.000 0.462 193 A N 0.381 123.231 122.820 0.050 0.000 2.508 193 A HA 0.219 4.540 4.320 0.001 0.000 0.257 193 A C -0.220 177.417 177.584 0.088 0.000 1.226 193 A CA -0.516 51.560 52.037 0.065 0.000 0.947 193 A CB 0.227 19.294 19.000 0.111 0.000 1.079 193 A HN 0.033 nan 8.150 nan 0.000 0.531 194 R N 0.265 120.821 120.500 0.094 0.000 2.640 194 R HA 0.138 4.479 4.340 0.001 0.000 0.270 194 R C 0.174 176.553 176.300 0.131 0.000 1.024 194 R CA 0.454 56.621 56.100 0.113 0.000 1.085 194 R CB 0.097 30.462 30.300 0.109 0.000 0.963 194 R HN 0.414 nan 8.270 nan 0.000 0.426 195 V N 0.514 120.520 119.914 0.154 0.000 2.446 195 V HA 0.206 4.326 4.120 0.001 0.000 0.257 195 V C -1.598 174.603 176.094 0.179 0.000 1.036 195 V CA -1.258 61.152 62.300 0.183 0.000 1.196 195 V CB 1.091 33.043 31.823 0.216 0.000 1.446 195 V HN 0.546 nan 8.190 nan 0.000 0.558 196 P HA -0.171 nan 4.420 nan 0.000 0.220 196 P C 1.384 178.837 177.300 0.254 0.000 1.148 196 P CA 1.566 64.847 63.100 0.302 0.000 0.803 196 P CB 0.338 32.167 31.700 0.215 0.000 0.782 197 E N 0.715 121.009 120.200 0.156 0.000 2.396 197 E HA -0.142 4.209 4.350 0.001 0.000 0.200 197 E C 1.781 178.387 176.600 0.010 0.000 1.023 197 E CA 0.696 57.153 56.400 0.094 0.000 0.857 197 E CB -1.050 28.704 29.700 0.090 0.000 0.775 197 E HN 0.353 nan 8.360 nan 0.000 0.525 198 L N -0.388 120.806 121.223 -0.049 0.000 2.552 198 L HA -0.018 4.323 4.340 0.001 0.000 0.227 198 L C 1.472 178.196 176.870 -0.244 0.000 1.146 198 L CA 0.542 55.258 54.840 -0.206 0.000 0.858 198 L CB -0.270 41.621 42.059 -0.280 0.000 0.969 198 L HN 0.038 nan 8.230 nan 0.000 0.451 199 Y N -0.302 120.011 120.300 0.021 0.000 2.441 199 Y HA 0.051 4.601 4.550 0.001 0.000 0.288 199 Y C 1.160 177.067 175.900 0.011 0.000 1.118 199 Y CA -0.536 57.581 58.100 0.028 0.000 1.215 199 Y CB 0.064 38.551 38.460 0.046 0.000 1.118 199 Y HN 0.045 nan 8.280 nan 0.000 0.547 200 E N 1.762 122.060 120.200 0.164 0.000 2.188 200 E HA 0.023 4.374 4.350 0.001 0.000 0.243 200 E C -0.655 175.973 176.600 0.047 0.000 1.269 200 E CA 0.532 56.986 56.400 0.091 0.000 0.979 200 E CB -0.415 29.326 29.700 0.069 0.000 1.076 200 E HN 0.113 nan 8.360 nan 0.000 0.452 201 T N 1.168 115.751 114.554 0.050 0.000 2.942 201 T HA 0.072 4.423 4.350 0.001 0.000 0.327 201 T C 0.038 174.754 174.700 0.026 0.000 1.360 201 T CA -0.924 61.189 62.100 0.022 0.000 1.055 201 T CB 1.291 70.159 68.868 0.001 0.000 1.261 201 T HN 0.403 nan 8.240 nan 0.000 0.485 202 D N 0.293 120.702 120.400 0.015 0.000 2.380 202 D HA 0.054 4.695 4.640 0.001 0.000 0.212 202 D C 0.883 177.190 176.300 0.012 0.000 1.021 202 D CA 0.244 54.254 54.000 0.016 0.000 0.884 202 D CB -0.121 40.687 40.800 0.013 0.000 1.001 202 D HN 0.299 nan 8.370 nan 0.000 0.506 203 V N 3.951 123.867 119.914 0.003 0.000 2.814 203 V HA 0.060 4.180 4.120 0.001 0.000 0.307 203 V C -1.799 174.298 176.094 0.005 0.000 1.089 203 V CA -0.721 61.579 62.300 -0.001 0.000 1.212 203 V CB 0.249 32.061 31.823 -0.017 0.000 0.912 203 V HN 0.174 nan 8.190 nan 0.000 0.497 204 P HA 0.146 nan 4.420 nan 0.000 0.271 204 P C -2.467 174.841 177.300 0.012 0.000 1.220 204 P CA -1.456 61.653 63.100 0.014 0.000 0.768 204 P CB 0.159 31.869 31.700 0.016 0.000 0.848 205 P HA 0.011 nan 4.420 nan 0.000 0.258 205 P C 0.261 177.574 177.300 0.021 0.000 1.563 205 P CA 0.017 63.130 63.100 0.023 0.000 1.241 205 P CB -0.256 31.471 31.700 0.045 0.000 1.811 206 R N 3.008 123.515 120.500 0.012 0.000 2.435 206 R HA 0.188 4.529 4.340 0.001 0.000 0.325 206 R C 0.087 176.399 176.300 0.020 0.000 1.149 206 R CA -0.445 55.665 56.100 0.018 0.000 0.995 206 R CB 0.179 30.488 30.300 0.015 0.000 1.008 206 R HN 0.313 nan 8.270 nan 0.000 0.470 207 R N 2.905 123.422 120.500 0.028 0.000 2.410 207 R HA 0.180 4.521 4.340 0.001 0.000 0.288 207 R C -0.467 175.852 176.300 0.032 0.000 1.051 207 R CA -0.704 55.413 56.100 0.029 0.000 1.021 207 R CB 1.064 31.386 30.300 0.036 0.000 1.032 207 R HN 0.607 nan 8.270 nan 0.000 0.481 208 R N 2.130 122.646 120.500 0.028 0.000 2.357 208 R HA 0.277 4.618 4.340 0.001 0.000 0.296 208 R C -0.326 175.989 176.300 0.025 0.000 1.052 208 R CA -0.126 55.993 56.100 0.032 0.000 0.988 208 R CB 1.246 31.568 30.300 0.036 0.000 1.025 208 R HN 0.843 nan 8.270 nan 0.000 0.469 209 G N 1.637 110.456 108.800 0.032 0.000 2.568 209 G HA2 0.509 4.470 3.960 0.001 0.000 0.293 209 G HA3 0.509 4.470 3.960 0.001 0.000 0.293 209 G C -0.719 174.192 174.900 0.019 0.000 1.347 209 G CA -0.475 44.646 45.100 0.036 0.000 1.039 209 G HN 0.815 nan 8.290 nan 0.000 0.523 210 A N -0.605 122.232 122.820 0.029 0.000 2.475 210 A HA 0.330 4.651 4.320 0.001 0.000 0.239 210 A C 1.731 179.308 177.584 -0.012 0.000 1.087 210 A CA 0.095 52.132 52.037 0.000 0.000 0.779 210 A CB 0.276 19.292 19.000 0.027 0.000 1.036 210 A HN 0.542 nan 8.150 nan 0.000 0.506 211 K N 1.324 121.684 120.400 -0.067 0.000 1.965 211 K HA -0.141 4.180 4.320 0.001 0.000 0.218 211 K C 1.660 178.231 176.600 -0.049 0.000 1.048 211 K CA 2.025 58.264 56.287 -0.080 0.000 0.960 211 K CB -1.002 31.416 32.500 -0.136 0.000 0.732 211 K HN 0.816 nan 8.250 nan 0.000 0.444 212 G N 0.434 109.177 108.800 -0.095 0.000 3.440 212 G HA2 0.394 4.355 3.960 0.001 0.000 0.263 212 G HA3 0.394 4.355 3.960 0.001 0.000 0.263 212 G C 0.177 175.211 174.900 0.223 0.000 1.236 212 G CA 0.387 45.488 45.100 0.001 0.000 0.927 212 G HN 0.567 nan 8.290 nan 0.000 0.530 213 G N -1.778 107.136 108.800 0.189 0.000 2.619 213 G HA2 0.463 4.424 3.960 0.001 0.000 0.686 213 G HA3 0.463 4.424 3.960 0.001 0.000 0.686 213 G C -0.088 174.974 174.900 0.271 0.000 1.256 213 G CA -0.352 44.871 45.100 0.206 0.000 0.826 213 G HN 1.135 nan 8.290 nan 0.000 0.619 214 G N -0.301 108.607 108.800 0.180 0.000 2.557 214 G HA2 0.806 4.766 3.960 0.001 0.000 0.310 214 G HA3 0.806 4.766 3.960 0.001 0.000 0.310 214 G C 0.295 175.300 174.900 0.176 0.000 1.328 214 G CA 0.621 45.846 45.100 0.208 0.000 0.945 214 G HN 1.615 nan 8.290 nan 0.000 0.494 215 G N 2.051 110.971 108.800 0.200 0.000 2.372 215 G HA2 0.384 4.344 3.960 0.001 0.000 0.283 215 G HA3 0.384 4.344 3.960 0.001 0.000 0.283 215 G C 1.089 175.902 174.900 -0.144 0.000 1.177 215 G CA -0.613 44.453 45.100 -0.056 0.000 0.842 215 G HN 0.813 nan 8.290 nan 0.000 0.503 216 W N 3.305 124.581 121.300 -0.039 0.000 2.361 216 W HA -0.189 4.471 4.660 0.001 0.000 0.270 216 W C 0.842 177.308 176.519 -0.089 0.000 1.210 216 W CA 0.219 57.542 57.345 -0.036 0.000 1.174 216 W CB -0.816 28.620 29.460 -0.040 0.000 1.131 216 W HN 0.367 nan 8.180 nan 0.000 0.575 217 I N 1.204 121.123 120.570 -1.086 0.000 2.060 217 I HA -0.250 3.921 4.170 0.001 0.000 0.233 217 I C 2.518 178.314 176.117 -0.536 0.000 1.054 217 I CA 1.771 62.411 61.300 -1.100 0.000 1.318 217 I CB -1.646 35.467 38.000 -1.479 0.000 1.054 217 I HN -0.258 nan 8.210 nan 0.000 0.395 218 F N 0.801 120.639 119.950 -0.186 0.000 2.154 218 F HA -0.251 4.276 4.527 0.001 0.000 0.301 218 F C 2.357 178.161 175.800 0.008 0.000 1.087 218 F CA 1.747 59.713 58.000 -0.056 0.000 1.274 218 F CB -1.360 37.628 39.000 -0.019 0.000 1.009 218 F HN 0.174 nan 8.300 nan 0.000 0.485 219 D N 0.042 120.546 120.400 0.173 0.000 2.123 219 D HA -0.179 4.462 4.640 0.001 0.000 0.196 219 D C 2.198 178.579 176.300 0.135 0.000 0.992 219 D CA 1.483 55.580 54.000 0.161 0.000 0.833 219 D CB -0.196 40.702 40.800 0.163 0.000 0.954 219 D HN 0.182 nan 8.370 nan 0.000 0.455 220 A N -0.120 122.764 122.820 0.108 0.000 1.854 220 A HA -0.035 4.286 4.320 0.001 0.000 0.214 220 A C 2.090 179.734 177.584 0.100 0.000 1.192 220 A CA 1.128 53.232 52.037 0.113 0.000 0.611 220 A CB -0.989 18.091 19.000 0.132 0.000 0.832 220 A HN 0.350 nan 8.150 nan 0.000 0.442 221 L N 0.790 122.055 121.223 0.070 0.000 2.021 221 L HA -0.264 4.076 4.340 0.001 0.000 0.215 221 L C 1.893 178.849 176.870 0.145 0.000 1.074 221 L CA 2.970 57.864 54.840 0.090 0.000 0.760 221 L CB -0.962 41.152 42.059 0.092 0.000 0.889 221 L HN 0.542 nan 8.230 nan 0.000 0.433 222 D N -0.965 119.543 120.400 0.181 0.000 2.092 222 D HA -0.228 4.412 4.640 0.001 0.000 0.193 222 D C 2.251 178.735 176.300 0.307 0.000 0.994 222 D CA 1.748 55.896 54.000 0.246 0.000 0.828 222 D CB -0.044 40.904 40.800 0.246 0.000 0.963 222 D HN 0.389 nan 8.370 nan 0.000 0.450 223 R N 0.252 120.872 120.500 0.201 0.000 2.105 223 R HA -0.099 4.242 4.340 0.001 0.000 0.239 223 R C 2.403 178.814 176.300 0.184 0.000 1.135 223 R CA 1.224 57.421 56.100 0.161 0.000 0.967 223 R CB -0.461 29.899 30.300 0.101 0.000 0.861 223 R HN 0.184 nan 8.270 nan 0.000 0.442 224 A N 1.712 124.629 122.820 0.160 0.000 1.877 224 A HA -0.116 4.204 4.320 0.001 0.000 0.216 224 A C 2.262 179.960 177.584 0.190 0.000 1.186 224 A CA 1.147 53.270 52.037 0.144 0.000 0.620 224 A CB -0.576 18.486 19.000 0.103 0.000 0.822 224 A HN 0.169 nan 8.150 nan 0.000 0.443 225 L N -1.556 119.784 121.223 0.194 0.000 2.042 225 L HA -0.235 4.106 4.340 0.001 0.000 0.210 225 L C 2.568 179.509 176.870 0.119 0.000 1.076 225 L CA 1.795 56.739 54.840 0.174 0.000 0.749 225 L CB -0.819 41.297 42.059 0.094 0.000 0.893 225 L HN 0.476 nan 8.230 nan 0.000 0.432 226 H N -0.653 118.478 119.070 0.103 0.000 2.456 226 H HA -0.082 4.475 4.556 0.001 0.000 0.296 226 H C 2.171 177.548 175.328 0.081 0.000 1.079 226 H CA 1.222 57.316 56.048 0.078 0.000 1.322 226 H CB -0.262 29.549 29.762 0.080 0.000 1.388 226 H HN 0.319 nan 8.280 nan 0.000 0.538 227 G N -0.449 108.485 108.800 0.223 0.000 2.404 227 G HA2 -0.300 3.660 3.960 0.001 0.000 0.213 227 G HA3 -0.300 3.660 3.960 0.001 0.000 0.213 227 G C 1.513 176.531 174.900 0.198 0.000 1.189 227 G CA 0.589 45.794 45.100 0.174 0.000 0.796 227 G HN 0.424 nan 8.290 nan 0.000 0.532 228 Y N 1.476 121.826 120.300 0.083 0.000 2.256 228 Y HA -0.162 4.389 4.550 0.001 0.000 0.288 228 Y C 2.696 178.713 175.900 0.194 0.000 1.155 228 Y CA 1.812 59.971 58.100 0.098 0.000 1.203 228 Y CB -0.482 38.035 38.460 0.096 0.000 0.980 228 Y HN 0.320 nan 8.280 nan 0.000 0.530 229 Q N 0.774 120.580 119.800 0.011 0.000 2.364 229 Q HA -0.125 4.216 4.340 0.001 0.000 0.209 229 Q C 1.628 177.636 176.000 0.014 0.000 0.977 229 Q CA 1.598 57.321 55.803 -0.134 0.000 0.885 229 Q CB -0.152 28.480 28.738 -0.177 0.000 0.941 229 Q HN 0.479 nan 8.270 nan 0.000 0.464 230 K N -0.784 119.660 120.400 0.074 0.000 2.356 230 K HA 0.140 4.461 4.320 0.001 0.000 0.195 230 K C 0.205 176.830 176.600 0.042 0.000 1.037 230 K CA -0.148 56.172 56.287 0.055 0.000 1.014 230 K CB 0.253 32.785 32.500 0.053 0.000 0.815 230 K HN 0.205 nan 8.250 nan 0.000 0.507 231 L N 0.544 121.775 121.223 0.014 0.000 2.472 231 L HA -0.077 4.264 4.340 0.001 0.000 0.273 231 L C 1.804 178.564 176.870 -0.183 0.000 1.254 231 L CA 0.093 54.857 54.840 -0.126 0.000 0.823 231 L CB 0.360 42.287 42.059 -0.221 0.000 1.096 231 L HN 0.071 nan 8.230 nan 0.000 0.521 232 S N 0.242 115.842 115.700 -0.167 0.000 2.446 232 S HA 0.045 4.516 4.470 0.001 0.000 0.225 232 S C 0.111 174.618 174.600 -0.155 0.000 1.016 232 S CA 0.156 58.291 58.200 -0.109 0.000 0.943 232 S CB 0.130 63.288 63.200 -0.070 0.000 0.786 232 S HN 0.427 nan 8.310 nan 0.000 0.508 233 V N 0.798 120.530 119.914 -0.303 0.000 2.577 233 V HA 0.683 4.804 4.120 0.001 0.000 0.303 233 V C -1.793 174.053 176.094 -0.414 0.000 1.042 233 V CA -0.931 61.223 62.300 -0.244 0.000 0.872 233 V CB 1.208 32.953 31.823 -0.130 0.000 0.998 233 V HN 0.312 nan 8.190 nan 0.000 0.423 234 H N 5.371 124.414 119.070 -0.045 0.000 2.792 234 H HA 0.584 5.141 4.556 0.001 0.000 0.298 234 H C -2.631 172.705 175.328 0.013 0.000 1.042 234 H CA -1.710 54.352 56.048 0.023 0.000 1.300 234 H CB 1.509 31.160 29.762 -0.185 0.000 1.431 234 H HN 0.651 nan 8.280 nan 0.000 0.496 235 P HA -0.060 nan 4.420 nan 0.000 0.267 235 P C -0.246 176.969 177.300 -0.142 0.000 1.209 235 P CA 0.093 63.029 63.100 -0.273 0.000 0.763 235 P CB 0.458 31.907 31.700 -0.418 0.000 0.816 236 F N -0.043 119.967 119.950 0.099 0.000 2.794 236 F HA -0.249 4.279 4.527 0.001 0.000 0.335 236 F C 1.956 177.885 175.800 0.215 0.000 0.653 236 F CA 1.203 59.275 58.000 0.121 0.000 1.266 236 F CB -2.130 36.887 39.000 0.029 0.000 1.666 236 F HN 0.353 nan 8.300 nan 0.000 0.314 237 R N 1.369 122.032 120.500 0.272 0.000 2.081 237 R HA -0.154 4.187 4.340 0.001 0.000 0.235 237 R C 2.337 178.708 176.300 0.119 0.000 1.131 237 R CA 1.995 58.204 56.100 0.182 0.000 0.960 237 R CB -0.302 30.032 30.300 0.057 0.000 0.856 237 R HN 0.499 nan 8.270 nan 0.000 0.436 238 R N 0.162 120.724 120.500 0.103 0.000 2.096 238 R HA -0.177 4.164 4.340 0.001 0.000 0.240 238 R C 2.046 178.409 176.300 0.105 0.000 1.139 238 R CA 1.934 58.076 56.100 0.070 0.000 0.952 238 R CB -0.519 29.819 30.300 0.064 0.000 0.854 238 R HN 0.341 nan 8.270 nan 0.000 0.436 239 A N 0.648 123.592 122.820 0.208 0.000 1.933 239 A HA -0.065 4.255 4.320 0.001 0.000 0.218 239 A C 2.403 180.095 177.584 0.179 0.000 1.175 239 A CA 1.614 53.801 52.037 0.250 0.000 0.628 239 A CB -0.760 18.472 19.000 0.387 0.000 0.814 239 A HN 0.605 nan 8.150 nan 0.000 0.444 240 A N 0.102 123.016 122.820 0.156 0.000 1.877 240 A HA -0.198 4.122 4.320 0.001 0.000 0.216 240 A C 1.919 179.370 177.584 -0.221 0.000 1.186 240 A CA 1.679 53.538 52.037 -0.295 0.000 0.620 240 A CB -0.609 18.271 19.000 -0.199 0.000 0.822 240 A HN 0.646 nan 8.150 nan 0.000 0.443 241 E N -0.143 119.995 120.200 -0.105 0.000 2.023 241 E HA -0.195 4.156 4.350 0.001 0.000 0.196 241 E C 1.970 178.529 176.600 -0.069 0.000 1.003 241 E CA 1.435 57.775 56.400 -0.101 0.000 0.809 241 E CB -0.434 29.221 29.700 -0.075 0.000 0.755 241 E HN 0.675 nan 8.360 nan 0.000 0.449 242 I N 1.011 121.566 120.570 -0.024 0.000 2.194 242 I HA -0.293 3.877 4.170 0.001 0.000 0.246 242 I C 2.540 178.660 176.117 0.006 0.000 1.093 242 I CA 0.968 62.270 61.300 0.004 0.000 1.355 242 I CB -0.389 37.631 38.000 0.034 0.000 1.046 242 I HN 0.081 nan 8.210 nan 0.000 0.413 243 R N 0.921 121.407 120.500 -0.024 0.000 2.091 243 R HA -0.140 4.201 4.340 0.001 0.000 0.238 243 R C 2.357 178.656 176.300 -0.002 0.000 1.136 243 R CA 1.682 57.768 56.100 -0.024 0.000 0.959 243 R CB -0.963 29.254 30.300 -0.138 0.000 0.856 243 R HN 0.419 nan 8.270 nan 0.000 0.437 244 A N 1.248 124.021 122.820 -0.078 0.000 1.858 244 A HA -0.148 4.172 4.320 0.001 0.000 0.216 244 A C 2.230 179.847 177.584 0.054 0.000 1.190 244 A CA 1.235 53.230 52.037 -0.069 0.000 0.617 244 A CB -0.649 18.253 19.000 -0.164 0.000 0.827 244 A HN 0.236 nan 8.150 nan 0.000 0.443 245 L N 0.336 121.571 121.223 0.021 0.000 1.989 245 L HA -0.215 4.125 4.340 0.001 0.000 0.211 245 L C 1.738 178.668 176.870 0.100 0.000 1.071 245 L CA 2.730 57.597 54.840 0.044 0.000 0.749 245 L CB -0.793 41.272 42.059 0.010 0.000 0.890 245 L HN 0.386 nan 8.230 nan 0.000 0.431 246 D N -1.277 119.179 120.400 0.093 0.000 2.123 246 D HA -0.270 4.371 4.640 0.001 0.000 0.196 246 D C 1.837 178.218 176.300 0.136 0.000 0.992 246 D CA 1.643 55.701 54.000 0.096 0.000 0.833 246 D CB -0.469 40.376 40.800 0.076 0.000 0.954 246 D HN 0.609 nan 8.370 nan 0.000 0.455 247 W N 1.529 122.827 121.300 -0.004 0.000 2.342 247 W HA -0.150 4.511 4.660 0.001 0.000 0.297 247 W C 2.147 178.709 176.519 0.072 0.000 1.213 247 W CA 1.109 58.458 57.345 0.006 0.000 1.251 247 W CB -0.280 29.158 29.460 -0.036 0.000 1.136 247 W HN -0.070 nan 8.180 nan 0.000 0.526 248 L N -0.364 121.100 121.223 0.402 0.000 2.044 248 L HA -0.218 4.123 4.340 0.001 0.000 0.205 248 L C 2.465 179.610 176.870 0.459 0.000 1.075 248 L CA 1.120 56.228 54.840 0.446 0.000 0.747 248 L CB -1.073 41.137 42.059 0.251 0.000 0.903 248 L HN -0.019 nan 8.230 nan 0.000 0.435 249 L N -0.376 121.010 121.223 0.273 0.000 2.127 249 L HA -0.215 4.125 4.340 0.001 0.000 0.211 249 L C 2.452 179.372 176.870 0.084 0.000 1.089 249 L CA 1.301 56.262 54.840 0.202 0.000 0.757 249 L CB -0.545 41.583 42.059 0.115 0.000 0.899 249 L HN 0.342 nan 8.230 nan 0.000 0.434 250 E N -0.106 120.082 120.200 -0.019 0.000 2.152 250 E HA -0.130 4.220 4.350 0.001 0.000 0.192 250 E C 1.950 178.398 176.600 -0.254 0.000 0.983 250 E CA 0.651 56.956 56.400 -0.158 0.000 0.818 250 E CB 0.060 29.593 29.700 -0.277 0.000 0.758 250 E HN 0.446 nan 8.360 nan 0.000 0.467 251 R N 0.835 121.197 120.500 -0.229 0.000 2.362 251 R HA 0.080 4.420 4.340 0.001 0.000 0.227 251 R C 0.523 176.846 176.300 0.037 0.000 0.905 251 R CA -0.188 55.810 56.100 -0.169 0.000 1.067 251 R CB 0.277 30.346 30.300 -0.386 0.000 1.078 251 R HN 0.094 nan 8.270 nan 0.000 0.516 252 Q N 1.636 121.325 119.800 -0.184 0.000 2.308 252 Q HA 0.038 4.379 4.340 0.001 0.000 0.313 252 Q C -0.393 175.294 176.000 -0.522 0.000 1.075 252 Q CA -0.194 55.078 55.803 -0.884 0.000 0.995 252 Q CB 0.706 28.914 28.738 -0.884 0.000 1.107 252 Q HN 0.213 nan 8.270 nan 0.000 0.380 253 A N 3.645 126.119 122.820 -0.576 0.000 2.409 253 A HA 0.280 4.601 4.320 0.001 0.000 0.246 253 A C 1.190 178.563 177.584 -0.352 0.000 1.099 253 A CA 0.240 52.061 52.037 -0.360 0.000 0.789 253 A CB -0.071 18.762 19.000 -0.280 0.000 1.053 253 A HN 1.048 nan 8.150 nan 0.000 0.503 254 G N -0.331 108.311 108.800 -0.263 0.000 2.422 254 G HA2 -0.161 3.800 3.960 0.001 0.000 0.218 254 G HA3 -0.161 3.800 3.960 0.001 0.000 0.218 254 G C 0.629 175.427 174.900 -0.171 0.000 1.140 254 G CA 1.251 46.228 45.100 -0.205 0.000 0.775 254 G HN 0.888 nan 8.290 nan 0.000 0.545 255 D N -0.850 119.454 120.400 -0.161 0.000 2.352 255 D HA 0.269 4.909 4.640 0.001 0.000 0.232 255 D C 1.709 177.916 176.300 -0.155 0.000 1.055 255 D CA 0.672 54.617 54.000 -0.092 0.000 0.891 255 D CB -0.420 40.395 40.800 0.025 0.000 0.897 255 D HN 0.428 nan 8.370 nan 0.000 0.529 256 G N -0.346 108.275 108.800 -0.299 0.000 2.199 256 G HA2 -0.317 3.643 3.960 0.001 0.000 0.254 256 G HA3 -0.317 3.643 3.960 0.001 0.000 0.254 256 G C 0.642 175.096 174.900 -0.744 0.000 0.982 256 G CA 0.539 45.423 45.100 -0.361 0.000 0.632 256 G HN 0.797 nan 8.290 nan 0.000 0.529 257 S N -1.052 114.004 115.700 -1.073 0.000 2.552 257 S HA 0.708 5.179 4.470 0.001 0.000 0.271 257 S C -0.091 173.940 174.600 -0.950 0.000 1.168 257 S CA -0.289 56.838 58.200 -1.789 0.000 1.026 257 S CB 1.122 63.219 63.200 -1.838 0.000 1.120 257 S HN 0.688 nan 8.310 nan 0.000 0.514 258 W N -0.021 120.987 121.300 -0.486 0.000 2.604 258 W HA 0.465 5.126 4.660 0.001 0.000 0.302 258 W C 0.656 177.222 176.519 0.079 0.000 1.013 258 W CA -0.079 57.236 57.345 -0.051 0.000 1.338 258 W CB 0.953 30.460 29.460 0.079 0.000 1.233 258 W HN 1.316 nan 8.180 nan 0.000 0.390 259 G N 1.193 110.159 108.800 0.278 0.000 2.205 259 G HA2 -0.215 3.745 3.960 0.001 0.000 0.261 259 G HA3 -0.215 3.745 3.960 0.001 0.000 0.261 259 G C 0.968 176.014 174.900 0.243 0.000 0.980 259 G CA 0.502 45.749 45.100 0.246 0.000 0.632 259 G HN 1.619 nan 8.290 nan 0.000 0.533 260 G N -0.417 108.506 108.800 0.205 0.000 2.198 260 G HA2 -0.023 3.938 3.960 0.001 0.000 0.260 260 G HA3 -0.023 3.938 3.960 0.001 0.000 0.260 260 G C 0.317 175.485 174.900 0.446 0.000 1.025 260 G CA 1.027 46.321 45.100 0.323 0.000 0.769 260 G HN 2.219 nan 8.290 nan 0.000 0.507 261 I N -4.769 116.041 120.570 0.400 0.000 2.730 261 I HA 0.567 4.738 4.170 0.001 0.000 0.298 261 I C 1.045 177.419 176.117 0.430 0.000 1.089 261 I CA -1.261 60.276 61.300 0.395 0.000 1.041 261 I CB 1.712 39.890 38.000 0.296 0.000 1.235 261 I HN -0.046 nan 8.210 nan 0.000 0.423 262 Q N 3.625 123.601 119.800 0.293 0.000 2.077 262 Q HA -0.090 4.250 4.340 0.001 0.000 0.206 262 Q C -1.026 174.859 176.000 -0.193 0.000 0.989 262 Q CA 2.546 58.356 55.803 0.011 0.000 0.853 262 Q CB -1.185 27.396 28.738 -0.262 0.000 0.907 262 Q HN 0.673 nan 8.270 nan 0.000 0.418 263 P HA -0.145 nan 4.420 nan 0.000 0.205 263 P C -1.558 175.736 177.300 -0.009 0.000 1.181 263 P CA 2.473 65.474 63.100 -0.166 0.000 0.933 263 P CB -1.341 30.397 31.700 0.064 0.000 0.775 264 P HA -0.231 nan 4.420 nan 0.000 0.216 264 P C 1.539 179.025 177.300 0.309 0.000 1.150 264 P CA 1.585 64.894 63.100 0.347 0.000 0.843 264 P CB -0.568 31.326 31.700 0.323 0.000 0.787 265 W N 0.929 122.360 121.300 0.217 0.000 2.317 265 W HA -0.199 4.462 4.660 0.001 0.000 0.318 265 W C 2.084 178.712 176.519 0.182 0.000 1.227 265 W CA 1.055 58.592 57.345 0.320 0.000 1.269 265 W CB -1.675 28.021 29.460 0.394 0.000 1.155 265 W HN -0.156 nan 8.180 nan 0.000 0.484 266 F N -0.484 119.451 119.950 -0.025 0.000 2.134 266 F HA -0.220 4.308 4.527 0.001 0.000 0.299 266 F C 2.286 177.968 175.800 -0.196 0.000 1.097 266 F CA 1.775 59.630 58.000 -0.243 0.000 1.264 266 F CB -1.600 37.170 39.000 -0.384 0.000 1.001 266 F HN -0.146 nan 8.300 nan 0.000 0.479 267 Y N -0.278 120.138 120.300 0.193 0.000 2.163 267 Y HA -0.071 4.480 4.550 0.001 0.000 0.288 267 Y C 2.545 178.400 175.900 -0.075 0.000 1.136 267 Y CA 0.524 58.633 58.100 0.015 0.000 1.147 267 Y CB -1.556 36.902 38.460 -0.003 0.000 0.987 267 Y HN 0.008 nan 8.280 nan 0.000 0.509 268 A N 0.541 123.335 122.820 -0.044 0.000 1.892 268 A HA -0.210 4.111 4.320 0.001 0.000 0.218 268 A C 2.347 179.814 177.584 -0.196 0.000 1.188 268 A CA 1.973 53.795 52.037 -0.359 0.000 0.631 268 A CB -1.264 17.032 19.000 -1.173 0.000 0.822 268 A HN 0.471 nan 8.150 nan 0.000 0.447 269 L N -0.661 120.516 121.223 -0.076 0.000 2.013 269 L HA -0.243 4.098 4.340 0.001 0.000 0.212 269 L C 2.584 179.507 176.870 0.088 0.000 1.073 269 L CA 1.669 56.519 54.840 0.016 0.000 0.753 269 L CB -0.615 41.418 42.059 -0.044 0.000 0.890 269 L HN 0.428 nan 8.230 nan 0.000 0.432 270 I N -0.200 120.397 120.570 0.045 0.000 2.127 270 I HA -0.320 3.851 4.170 0.001 0.000 0.241 270 I C 2.858 179.023 176.117 0.079 0.000 1.075 270 I CA 1.274 62.607 61.300 0.055 0.000 1.334 270 I CB -0.603 37.431 38.000 0.056 0.000 1.040 270 I HN 0.227 nan 8.210 nan 0.000 0.405 271 A N 1.040 123.888 122.820 0.047 0.000 1.917 271 A HA -0.212 4.109 4.320 0.001 0.000 0.219 271 A C 2.328 179.932 177.584 0.034 0.000 1.182 271 A CA 1.702 53.748 52.037 0.015 0.000 0.633 271 A CB -0.966 18.011 19.000 -0.039 0.000 0.819 271 A HN 0.412 nan 8.150 nan 0.000 0.448 272 L N -1.068 120.202 121.223 0.079 0.000 2.056 272 L HA -0.189 4.151 4.340 0.001 0.000 0.207 272 L C 2.611 179.543 176.870 0.103 0.000 1.078 272 L CA 1.762 56.681 54.840 0.133 0.000 0.749 272 L CB -0.361 41.891 42.059 0.321 0.000 0.901 272 L HN 0.392 nan 8.230 nan 0.000 0.433 273 K N 0.875 121.366 120.400 0.150 0.000 2.032 273 K HA -0.193 4.128 4.320 0.001 0.000 0.209 273 K C 1.882 178.500 176.600 0.030 0.000 1.048 273 K CA 1.628 57.940 56.287 0.040 0.000 0.927 273 K CB -0.321 32.209 32.500 0.049 0.000 0.712 273 K HN 0.045 nan 8.250 nan 0.000 0.441 274 I N 1.011 121.626 120.570 0.076 0.000 2.248 274 I HA -0.242 3.928 4.170 0.001 0.000 0.248 274 I C 1.659 177.782 176.117 0.010 0.000 1.107 274 I CA 1.365 62.706 61.300 0.067 0.000 1.373 274 I CB -0.832 37.193 38.000 0.042 0.000 1.055 274 I HN 0.203 nan 8.210 nan 0.000 0.418 275 L N 0.534 121.755 121.223 -0.003 0.000 2.653 275 L HA 0.076 4.417 4.340 0.001 0.000 0.232 275 L C 0.017 176.869 176.870 -0.030 0.000 1.169 275 L CA 0.007 54.835 54.840 -0.020 0.000 0.951 275 L CB -0.485 41.563 42.059 -0.019 0.000 1.181 275 L HN 0.239 nan 8.230 nan 0.000 0.460 276 D N 0.328 120.701 120.400 -0.046 0.000 2.837 276 D HA -0.228 4.413 4.640 0.001 0.000 0.230 276 D C 0.584 176.826 176.300 -0.097 0.000 1.152 276 D CA 1.093 55.047 54.000 -0.077 0.000 0.736 276 D CB -0.806 39.964 40.800 -0.051 0.000 1.084 276 D HN 0.430 nan 8.370 nan 0.000 0.429 277 M N -0.144 119.390 119.600 -0.111 0.000 2.866 277 M HA 0.040 4.521 4.480 0.001 0.000 0.319 277 M C 1.727 177.872 176.300 -0.260 0.000 1.244 277 M CA 0.043 55.300 55.300 -0.072 0.000 0.974 277 M CB 0.315 32.919 32.600 0.006 0.000 1.291 277 M HN 0.019 nan 8.290 nan 0.000 0.513 278 T N -2.852 111.349 114.554 -0.589 0.000 3.035 278 T HA -0.054 4.296 4.350 0.001 0.000 0.268 278 T C 1.280 175.620 174.700 -0.601 0.000 1.109 278 T CA 0.883 62.182 62.100 -1.336 0.000 1.119 278 T CB -0.031 68.235 68.868 -1.004 0.000 0.900 278 T HN 0.479 nan 8.240 nan 0.000 0.503 279 Q N 0.475 120.137 119.800 -0.231 0.000 2.201 279 Q HA 0.179 4.520 4.340 0.001 0.000 0.236 279 Q C -0.374 175.655 176.000 0.049 0.000 0.857 279 Q CA -0.284 55.483 55.803 -0.060 0.000 1.025 279 Q CB 0.325 29.027 28.738 -0.060 0.000 1.124 279 Q HN 0.593 nan 8.270 nan 0.000 0.473 280 H N -0.033 119.057 119.070 0.032 0.000 2.472 280 H HA 0.183 4.740 4.556 0.001 0.000 0.338 280 H C -2.116 173.320 175.328 0.180 0.000 1.133 280 H CA -2.096 54.012 56.048 0.100 0.000 1.216 280 H CB 2.060 31.889 29.762 0.111 0.000 1.497 280 H HN -0.145 nan 8.280 nan 0.000 0.500 281 P HA -0.221 nan 4.420 nan 0.000 0.215 281 P C 1.217 178.733 177.300 0.361 0.000 1.163 281 P CA 2.746 65.924 63.100 0.130 0.000 0.894 281 P CB -0.061 31.615 31.700 -0.041 0.000 0.791 282 A N -1.322 121.863 122.820 0.610 0.000 1.903 282 A HA -0.274 4.047 4.320 0.001 0.000 0.219 282 A C 2.182 180.045 177.584 0.464 0.000 1.191 282 A CA 2.124 54.427 52.037 0.443 0.000 0.638 282 A CB -1.885 17.346 19.000 0.385 0.000 0.823 282 A HN 0.208 nan 8.150 nan 0.000 0.451 283 F N 0.750 120.922 119.950 0.371 0.000 2.060 283 F HA -0.143 4.384 4.527 0.001 0.000 0.295 283 F C 2.059 178.059 175.800 0.334 0.000 1.120 283 F CA 1.536 59.735 58.000 0.331 0.000 1.205 283 F CB -0.231 38.903 39.000 0.224 0.000 0.986 283 F HN 0.152 nan 8.300 nan 0.000 0.470 284 I N 0.867 121.805 120.570 0.614 0.000 2.087 284 I HA -0.348 3.823 4.170 0.001 0.000 0.240 284 I C 2.404 178.717 176.117 0.327 0.000 1.054 284 I CA 1.899 63.476 61.300 0.462 0.000 1.311 284 I CB -1.590 36.610 38.000 0.334 0.000 1.024 284 I HN 0.193 nan 8.210 nan 0.000 0.402 285 K N 1.360 121.908 120.400 0.246 0.000 2.063 285 K HA -0.124 4.196 4.320 0.001 0.000 0.208 285 K C 2.106 178.812 176.600 0.176 0.000 1.048 285 K CA 1.770 58.155 56.287 0.163 0.000 0.928 285 K CB -0.949 31.600 32.500 0.083 0.000 0.713 285 K HN 0.338 nan 8.250 nan 0.000 0.442 286 G N 0.333 109.261 108.800 0.212 0.000 2.432 286 G HA2 -0.263 3.697 3.960 0.001 0.000 0.219 286 G HA3 -0.263 3.697 3.960 0.001 0.000 0.219 286 G C 1.393 176.582 174.900 0.482 0.000 1.135 286 G CA 0.768 46.089 45.100 0.369 0.000 0.767 286 G HN 0.545 nan 8.290 nan 0.000 0.550 287 W N 2.266 123.584 121.300 0.031 0.000 2.378 287 W HA -0.087 4.574 4.660 0.001 0.000 0.313 287 W C 2.390 178.965 176.519 0.093 0.000 1.197 287 W CA 1.542 58.847 57.345 -0.066 0.000 1.304 287 W CB -0.121 29.209 29.460 -0.217 0.000 1.148 287 W HN 0.522 nan 8.180 nan 0.000 0.494 288 E N -0.005 120.179 120.200 -0.027 0.000 2.268 288 E HA -0.060 4.291 4.350 0.001 0.000 0.195 288 E C 2.181 178.795 176.600 0.024 0.000 0.995 288 E CA 1.296 57.634 56.400 -0.105 0.000 0.836 288 E CB -1.084 28.677 29.700 0.103 0.000 0.763 288 E HN 0.234 nan 8.360 nan 0.000 0.491 289 G N 1.723 110.640 108.800 0.195 0.000 2.471 289 G HA2 -0.171 3.789 3.960 0.001 0.000 0.219 289 G HA3 -0.171 3.789 3.960 0.001 0.000 0.219 289 G C 1.556 176.785 174.900 0.549 0.000 1.125 289 G CA 0.482 45.800 45.100 0.363 0.000 0.775 289 G HN 0.161 nan 8.290 nan 0.000 0.548 290 L N 0.253 121.667 121.223 0.318 0.000 2.013 290 L HA -0.137 4.203 4.340 0.001 0.000 0.212 290 L C 2.876 179.874 176.870 0.214 0.000 1.073 290 L CA 1.262 56.163 54.840 0.101 0.000 0.753 290 L CB -0.389 41.556 42.059 -0.190 0.000 0.890 290 L HN 0.134 nan 8.230 nan 0.000 0.432 291 E N 0.036 120.313 120.200 0.128 0.000 2.208 291 E HA -0.284 4.067 4.350 0.001 0.000 0.202 291 E C 2.090 178.802 176.600 0.187 0.000 1.014 291 E CA 1.323 57.819 56.400 0.161 0.000 0.819 291 E CB -0.501 29.251 29.700 0.088 0.000 0.735 291 E HN 0.324 nan 8.360 nan 0.000 0.469 292 L N -0.114 121.264 121.223 0.259 0.000 2.191 292 L HA -0.169 4.171 4.340 0.001 0.000 0.212 292 L C 1.732 178.704 176.870 0.170 0.000 1.103 292 L CA 1.582 56.574 54.840 0.254 0.000 0.769 292 L CB -0.420 41.819 42.059 0.300 0.000 0.908 292 L HN 0.045 nan 8.230 nan 0.000 0.438 293 Y N -0.534 119.723 120.300 -0.072 0.000 2.523 293 Y HA 0.363 4.913 4.550 0.001 0.000 0.279 293 Y C 1.748 177.248 175.900 -0.667 0.000 1.139 293 Y CA -0.204 57.678 58.100 -0.363 0.000 1.296 293 Y CB -0.832 37.210 38.460 -0.697 0.000 1.045 293 Y HN 0.147 nan 8.280 nan 0.000 0.538 294 G N 0.186 108.763 108.800 -0.372 0.000 2.606 294 G HA2 0.453 4.414 3.960 0.001 0.000 0.252 294 G HA3 0.453 4.414 3.960 0.001 0.000 0.252 294 G C -1.111 173.464 174.900 -0.543 0.000 1.206 294 G CA -0.135 44.620 45.100 -0.576 0.000 0.861 294 G HN -0.083 nan 8.290 nan 0.000 0.561 295 V N 0.839 120.217 119.914 -0.894 0.000 2.777 295 V HA 0.280 4.401 4.120 0.001 0.000 0.306 295 V C -0.757 175.030 176.094 -0.510 0.000 1.112 295 V CA -1.067 60.892 62.300 -0.568 0.000 0.917 295 V CB 1.950 33.459 31.823 -0.523 0.000 1.018 295 V HN 0.709 nan 8.190 nan 0.000 0.426 296 E N 3.629 123.692 120.200 -0.229 0.000 2.313 296 E HA 0.496 4.847 4.350 0.001 0.000 0.276 296 E C -0.920 175.543 176.600 -0.228 0.000 1.031 296 E CA -0.195 56.135 56.400 -0.117 0.000 0.857 296 E CB 1.823 31.500 29.700 -0.039 0.000 1.040 296 E HN 0.482 nan 8.360 nan 0.000 0.408 297 L N 2.597 123.650 121.223 -0.285 0.000 2.307 297 L HA 0.139 4.480 4.340 0.001 0.000 0.284 297 L C 1.292 177.934 176.870 -0.379 0.000 1.023 297 L CA -0.629 53.939 54.840 -0.454 0.000 0.810 297 L CB 1.300 42.848 42.059 -0.850 0.000 1.231 297 L HN 0.461 nan 8.230 nan 0.000 0.423 298 D N 0.946 121.188 120.400 -0.264 0.000 2.158 298 D HA -0.329 4.312 4.640 0.001 0.000 0.197 298 D C 1.345 177.616 176.300 -0.049 0.000 0.995 298 D CA 1.655 55.587 54.000 -0.115 0.000 0.846 298 D CB -0.371 40.404 40.800 -0.042 0.000 0.941 298 D HN 0.627 nan 8.370 nan 0.000 0.456 299 Y N -1.475 118.824 120.300 -0.003 0.000 2.465 299 Y HA 0.476 5.027 4.550 0.001 0.000 0.311 299 Y C 1.716 177.640 175.900 0.041 0.000 1.204 299 Y CA -0.716 57.397 58.100 0.022 0.000 1.272 299 Y CB -0.328 38.146 38.460 0.024 0.000 1.083 299 Y HN 0.126 nan 8.280 nan 0.000 0.508 300 G N -0.816 107.985 108.800 0.003 0.000 2.258 300 G HA2 -0.253 3.708 3.960 0.001 0.000 0.233 300 G HA3 -0.253 3.708 3.960 0.001 0.000 0.233 300 G C 0.867 175.793 174.900 0.045 0.000 1.006 300 G CA -0.164 44.976 45.100 0.066 0.000 0.620 300 G HN 0.982 nan 8.290 nan 0.000 0.511 301 G N -1.014 107.731 108.800 -0.092 0.000 2.651 301 G HA2 0.431 4.392 3.960 0.001 0.000 0.260 301 G HA3 0.431 4.392 3.960 0.001 0.000 0.260 301 G C -0.595 174.294 174.900 -0.019 0.000 1.216 301 G CA 0.178 45.312 45.100 0.058 0.000 0.913 301 G HN 0.997 nan 8.290 nan 0.000 0.535 302 W N 1.174 122.373 121.300 -0.169 0.000 2.957 302 W HA 0.635 5.296 4.660 0.001 0.000 0.336 302 W C -0.388 175.849 176.519 -0.471 0.000 1.087 302 W CA -1.098 56.082 57.345 -0.274 0.000 1.235 302 W CB 1.619 30.965 29.460 -0.190 0.000 1.399 302 W HN 0.691 nan 8.180 nan 0.000 0.480 303 M N 5.089 123.970 119.600 -1.199 0.000 2.644 303 M HA 0.685 5.165 4.480 0.001 0.000 0.304 303 M C -2.126 173.345 176.300 -1.381 0.000 1.215 303 M CA -0.822 53.731 55.300 -1.246 0.000 0.871 303 M CB 2.800 34.741 32.600 -1.099 0.000 1.740 303 M HN 0.402 nan 8.290 nan 0.000 0.464 304 F N 1.798 121.171 119.950 -0.961 0.000 2.444 304 F HA 0.487 5.015 4.527 0.001 0.000 0.342 304 F C -0.569 175.083 175.800 -0.247 0.000 1.121 304 F CA -0.269 57.358 58.000 -0.622 0.000 0.997 304 F CB 1.854 40.669 39.000 -0.309 0.000 1.130 304 F HN 0.707 nan 8.300 nan 0.000 0.454 305 Q N 4.271 123.936 119.800 -0.226 0.000 2.327 305 Q HA 0.395 4.735 4.340 0.001 0.000 0.254 305 Q C 0.831 177.057 176.000 0.377 0.000 0.952 305 Q CA 0.117 55.953 55.803 0.055 0.000 0.884 305 Q CB 1.592 30.323 28.738 -0.012 0.000 1.224 305 Q HN 0.903 nan 8.270 nan 0.000 0.422 306 A N 2.078 125.093 122.820 0.326 0.000 1.969 306 A HA -0.053 4.268 4.320 0.001 0.000 0.218 306 A C 0.993 178.832 177.584 0.425 0.000 1.169 306 A CA 1.579 53.831 52.037 0.358 0.000 0.635 306 A CB 0.231 19.459 19.000 0.380 0.000 0.810 306 A HN 0.599 nan 8.150 nan 0.000 0.445 307 S N -2.467 113.491 115.700 0.430 0.000 2.683 307 S HA 0.580 5.050 4.470 0.001 0.000 0.269 307 S C -1.564 173.232 174.600 0.327 0.000 1.165 307 S CA -0.110 58.405 58.200 0.526 0.000 0.840 307 S CB 0.435 63.943 63.200 0.513 0.000 1.169 307 S HN 0.919 nan 8.310 nan 0.000 0.490 308 I N 0.480 121.146 120.570 0.161 0.000 2.582 308 I HA 0.693 4.864 4.170 0.001 0.000 0.292 308 I C -0.183 175.564 176.117 -0.617 0.000 1.066 308 I CA -0.678 60.547 61.300 -0.124 0.000 1.053 308 I CB 2.459 40.246 38.000 -0.355 0.000 1.241 308 I HN 0.568 nan 8.210 nan 0.000 0.421 309 S N 3.412 118.756 115.700 -0.593 0.000 2.526 309 S HA 0.400 4.870 4.470 0.001 0.000 0.245 309 S C -1.527 172.774 174.600 -0.498 0.000 1.103 309 S CA -1.026 56.590 58.200 -0.974 0.000 1.095 309 S CB -0.529 62.439 63.200 -0.387 0.000 0.826 309 S HN 0.686 nan 8.310 nan 0.000 0.468 310 P HA -0.167 nan 4.420 nan 0.000 0.212 310 P C 1.599 178.764 177.300 -0.224 0.000 1.178 310 P CA 1.167 63.811 63.100 -0.760 0.000 0.915 310 P CB -0.166 30.401 31.700 -1.889 0.000 0.788 311 V N 0.035 119.864 119.914 -0.142 0.000 2.231 311 V HA -0.249 3.871 4.120 0.001 0.000 0.250 311 V C 2.607 178.815 176.094 0.190 0.000 1.058 311 V CA 2.332 64.732 62.300 0.167 0.000 1.022 311 V CB -1.777 30.131 31.823 0.141 0.000 0.640 311 V HN 0.242 nan 8.190 nan 0.000 0.445 312 W N 1.153 122.438 121.300 -0.024 0.000 2.302 312 W HA -0.260 4.400 4.660 0.001 0.000 0.320 312 W C 2.365 178.931 176.519 0.079 0.000 1.241 312 W CA 2.273 59.679 57.345 0.102 0.000 1.264 312 W CB -0.319 29.328 29.460 0.310 0.000 1.154 312 W HN 0.369 nan 8.180 nan 0.000 0.483 313 D N -0.318 120.173 120.400 0.152 0.000 2.123 313 D HA -0.174 4.466 4.640 0.001 0.000 0.196 313 D C 2.063 178.343 176.300 -0.033 0.000 0.992 313 D CA 2.427 56.461 54.000 0.056 0.000 0.833 313 D CB -0.794 40.141 40.800 0.225 0.000 0.954 313 D HN 0.147 nan 8.370 nan 0.000 0.455 314 T N 0.308 114.935 114.554 0.121 0.000 2.652 314 T HA -0.120 4.231 4.350 0.001 0.000 0.267 314 T C 2.024 176.716 174.700 -0.013 0.000 1.039 314 T CA 1.656 63.897 62.100 0.236 0.000 1.153 314 T CB -0.811 68.240 68.868 0.306 0.000 0.863 314 T HN 0.269 nan 8.240 nan 0.000 0.428 315 G N 1.540 110.275 108.800 -0.108 0.000 2.476 315 G HA2 -0.192 3.769 3.960 0.001 0.000 0.218 315 G HA3 -0.192 3.769 3.960 0.001 0.000 0.218 315 G C 1.514 176.120 174.900 -0.489 0.000 1.164 315 G CA 0.841 45.773 45.100 -0.280 0.000 0.768 315 G HN 0.449 nan 8.290 nan 0.000 0.560 316 L N 0.665 121.510 121.223 -0.630 0.000 1.994 316 L HA -0.048 4.292 4.340 0.001 0.000 0.208 316 L C 3.472 179.932 176.870 -0.684 0.000 1.071 316 L CA 1.066 55.454 54.840 -0.753 0.000 0.745 316 L CB -0.720 40.805 42.059 -0.891 0.000 0.892 316 L HN 0.300 nan 8.230 nan 0.000 0.431 317 A N 0.058 122.458 122.820 -0.701 0.000 1.927 317 A HA -0.218 4.102 4.320 0.001 0.000 0.220 317 A C 2.359 179.467 177.584 -0.793 0.000 1.185 317 A CA 2.386 53.853 52.037 -0.949 0.000 0.639 317 A CB -1.064 16.910 19.000 -1.710 0.000 0.820 317 A HN 0.228 nan 8.150 nan 0.000 0.451 318 V N -0.096 119.474 119.914 -0.574 0.000 2.261 318 V HA -0.269 3.852 4.120 0.001 0.000 0.246 318 V C 2.572 178.435 176.094 -0.385 0.000 1.047 318 V CA 2.028 64.115 62.300 -0.356 0.000 1.015 318 V CB -0.805 30.898 31.823 -0.200 0.000 0.642 318 V HN 0.589 nan 8.190 nan 0.000 0.446 319 L N 0.028 120.948 121.223 -0.504 0.000 2.079 319 L HA -0.188 4.152 4.340 0.001 0.000 0.210 319 L C 2.735 179.359 176.870 -0.409 0.000 1.081 319 L CA 1.576 56.082 54.840 -0.556 0.000 0.752 319 L CB -0.836 40.708 42.059 -0.858 0.000 0.896 319 L HN 0.379 nan 8.230 nan 0.000 0.433 320 A N 0.282 122.846 122.820 -0.426 0.000 1.858 320 A HA -0.173 4.147 4.320 0.001 0.000 0.216 320 A C 2.237 179.682 177.584 -0.232 0.000 1.190 320 A CA 1.484 53.327 52.037 -0.323 0.000 0.617 320 A CB -0.766 18.007 19.000 -0.379 0.000 0.827 320 A HN 0.352 nan 8.150 nan 0.000 0.443 321 L N -1.142 119.922 121.223 -0.265 0.000 2.083 321 L HA -0.173 4.168 4.340 0.001 0.000 0.209 321 L C 2.880 179.674 176.870 -0.126 0.000 1.083 321 L CA 0.970 55.702 54.840 -0.181 0.000 0.752 321 L CB -0.477 41.458 42.059 -0.206 0.000 0.899 321 L HN 0.287 nan 8.230 nan 0.000 0.433 322 R N 0.143 120.555 120.500 -0.148 0.000 2.073 322 R HA -0.012 4.328 4.340 0.001 0.000 0.229 322 R C 2.315 178.574 176.300 -0.068 0.000 1.120 322 R CA 1.395 57.438 56.100 -0.096 0.000 0.967 322 R CB -0.838 29.390 30.300 -0.120 0.000 0.862 322 R HN 0.309 nan 8.270 nan 0.000 0.436 323 A N 1.130 123.895 122.820 -0.092 0.000 2.019 323 A HA -0.013 4.308 4.320 0.001 0.000 0.219 323 A C 2.286 179.856 177.584 -0.024 0.000 1.164 323 A CA 1.585 53.593 52.037 -0.048 0.000 0.644 323 A CB -0.385 18.580 19.000 -0.059 0.000 0.805 323 A HN 0.336 nan 8.150 nan 0.000 0.449 324 A N -1.493 121.305 122.820 -0.036 0.000 1.825 324 A HA 0.335 4.655 4.320 0.001 0.000 0.214 324 A C 2.041 179.638 177.584 0.022 0.000 1.206 324 A CA 2.287 54.324 52.037 -0.000 0.000 0.609 324 A CB -0.788 18.207 19.000 -0.009 0.000 0.851 324 A HN 1.240 nan 8.150 nan 0.000 0.445 325 G N -2.505 106.303 108.800 0.015 0.000 4.109 325 G HA2 0.203 4.164 3.960 0.001 0.000 0.191 325 G HA3 0.203 4.164 3.960 0.001 0.000 0.191 325 G C 0.161 175.088 174.900 0.044 0.000 1.163 325 G CA -0.091 45.030 45.100 0.035 0.000 0.953 325 G HN 0.297 nan 8.290 nan 0.000 0.502 326 L N 2.605 123.856 121.223 0.046 0.000 2.714 326 L HA 0.058 4.398 4.340 0.001 0.000 0.301 326 L C -1.864 175.067 176.870 0.101 0.000 1.248 326 L CA -0.566 54.334 54.840 0.100 0.000 0.885 326 L CB -0.007 42.057 42.059 0.007 0.000 1.143 326 L HN 0.099 nan 8.230 nan 0.000 0.500 327 P HA -0.038 nan 4.420 nan 0.000 0.267 327 P C 0.163 177.523 177.300 0.100 0.000 1.200 327 P CA 0.092 63.252 63.100 0.100 0.000 0.772 327 P CB 0.758 32.506 31.700 0.080 0.000 0.855 328 A N 2.858 125.716 122.820 0.063 0.000 2.131 328 A HA -0.182 4.138 4.320 0.001 0.000 0.220 328 A C 1.143 178.768 177.584 0.068 0.000 1.158 328 A CA 2.023 54.092 52.037 0.054 0.000 0.665 328 A CB -1.070 17.956 19.000 0.042 0.000 0.795 328 A HN 0.687 nan 8.150 nan 0.000 0.460 329 D N -2.882 117.563 120.400 0.074 0.000 2.462 329 D HA 0.040 4.681 4.640 0.001 0.000 0.221 329 D C 0.512 176.865 176.300 0.089 0.000 1.173 329 D CA -0.535 53.506 54.000 0.068 0.000 0.831 329 D CB -0.635 40.189 40.800 0.039 0.000 1.001 329 D HN 0.370 nan 8.370 nan 0.000 0.499 330 H N 2.456 121.538 119.070 0.020 0.000 3.167 330 H HA -0.081 4.476 4.556 0.001 0.000 0.306 330 H C 1.131 176.471 175.328 0.020 0.000 0.965 330 H CA 0.976 57.036 56.048 0.020 0.000 1.408 330 H CB 0.839 30.616 29.762 0.025 0.000 1.406 330 H HN 0.303 nan 8.280 nan 0.000 0.576 331 D N 4.440 124.895 120.400 0.092 0.000 2.228 331 D HA -0.214 4.427 4.640 0.001 0.000 0.203 331 D C 1.748 178.158 176.300 0.184 0.000 0.988 331 D CA 0.793 54.856 54.000 0.106 0.000 0.864 331 D CB 0.096 40.903 40.800 0.011 0.000 0.928 331 D HN 0.334 nan 8.370 nan 0.000 0.469 332 R N 0.258 121.000 120.500 0.403 0.000 2.119 332 R HA 0.193 4.534 4.340 0.001 0.000 0.222 332 R C 2.387 178.726 176.300 0.064 0.000 1.088 332 R CA 0.449 56.640 56.100 0.152 0.000 0.984 332 R CB -0.456 29.886 30.300 0.070 0.000 0.884 332 R HN 0.243 nan 8.270 nan 0.000 0.447 333 L N -0.325 120.959 121.223 0.103 0.000 2.478 333 L HA 0.011 4.351 4.340 0.001 0.000 0.223 333 L C 1.594 178.524 176.870 0.100 0.000 1.140 333 L CA 0.173 55.068 54.840 0.091 0.000 0.842 333 L CB 0.007 42.103 42.059 0.062 0.000 0.953 333 L HN -0.001 nan 8.230 nan 0.000 0.452 334 V N -0.733 119.242 119.914 0.101 0.000 2.535 334 V HA -0.131 3.989 4.120 0.001 0.000 0.246 334 V C 2.465 178.611 176.094 0.086 0.000 1.045 334 V CA 1.081 63.434 62.300 0.088 0.000 1.058 334 V CB -0.333 31.536 31.823 0.077 0.000 0.689 334 V HN 0.327 nan 8.190 nan 0.000 0.461 335 K N 0.805 121.240 120.400 0.058 0.000 2.074 335 K HA -0.173 4.147 4.320 0.001 0.000 0.209 335 K C 2.262 178.924 176.600 0.103 0.000 1.048 335 K CA 1.727 58.039 56.287 0.043 0.000 0.926 335 K CB -0.725 31.744 32.500 -0.052 0.000 0.713 335 K HN 0.480 nan 8.250 nan 0.000 0.444 336 A N 1.033 123.905 122.820 0.086 0.000 1.835 336 A HA -0.083 4.238 4.320 0.001 0.000 0.215 336 A C 2.526 180.266 177.584 0.260 0.000 1.199 336 A CA 2.223 54.369 52.037 0.182 0.000 0.615 336 A CB -1.388 17.739 19.000 0.213 0.000 0.838 336 A HN 0.370 nan 8.150 nan 0.000 0.444 337 G N -0.281 108.623 108.800 0.173 0.000 2.574 337 G HA2 -0.321 3.640 3.960 0.001 0.000 0.220 337 G HA3 -0.321 3.640 3.960 0.001 0.000 0.220 337 G C 1.404 176.402 174.900 0.164 0.000 1.173 337 G CA 1.313 46.501 45.100 0.146 0.000 0.772 337 G HN 0.518 nan 8.290 nan 0.000 0.585 338 E N -0.311 119.985 120.200 0.160 0.000 2.038 338 E HA -0.162 4.188 4.350 0.001 0.000 0.195 338 E C 2.051 178.759 176.600 0.180 0.000 1.000 338 E CA 1.101 57.587 56.400 0.143 0.000 0.803 338 E CB -0.503 29.272 29.700 0.124 0.000 0.750 338 E HN 0.686 nan 8.360 nan 0.000 0.448 339 W N 1.844 123.184 121.300 0.066 0.000 2.321 339 W HA -0.182 4.478 4.660 0.001 0.000 0.306 339 W C 2.095 178.676 176.519 0.104 0.000 1.217 339 W CA 1.526 58.922 57.345 0.085 0.000 1.257 339 W CB -0.402 29.128 29.460 0.117 0.000 1.145 339 W HN -0.013 nan 8.180 nan 0.000 0.509 340 L N -0.079 121.297 121.223 0.255 0.000 2.083 340 L HA -0.246 4.095 4.340 0.001 0.000 0.209 340 L C 2.477 179.424 176.870 0.129 0.000 1.083 340 L CA 1.131 56.048 54.840 0.129 0.000 0.752 340 L CB -0.978 41.188 42.059 0.178 0.000 0.899 340 L HN 0.064 nan 8.230 nan 0.000 0.433 341 L N -0.460 120.829 121.223 0.110 0.000 2.083 341 L HA -0.224 4.117 4.340 0.001 0.000 0.209 341 L C 2.047 178.905 176.870 -0.021 0.000 1.083 341 L CA 1.038 55.937 54.840 0.098 0.000 0.752 341 L CB -0.581 41.525 42.059 0.079 0.000 0.899 341 L HN 0.319 nan 8.230 nan 0.000 0.433 342 D N -0.427 119.907 120.400 -0.110 0.000 2.312 342 D HA -0.097 4.543 4.640 0.001 0.000 0.211 342 D C 2.257 178.394 176.300 -0.272 0.000 0.964 342 D CA 0.579 54.468 54.000 -0.186 0.000 0.877 342 D CB -0.018 40.653 40.800 -0.215 0.000 0.924 342 D HN 0.209 nan 8.370 nan 0.000 0.515 343 R N 0.661 120.974 120.500 -0.311 0.000 2.119 343 R HA 0.017 4.358 4.340 0.001 0.000 0.222 343 R C 1.045 177.129 176.300 -0.360 0.000 1.088 343 R CA -0.005 55.899 56.100 -0.327 0.000 0.984 343 R CB -0.668 29.441 30.300 -0.319 0.000 0.884 343 R HN 0.343 nan 8.270 nan 0.000 0.447 344 Q N 1.587 121.080 119.800 -0.513 0.000 2.398 344 Q HA -0.089 4.251 4.340 0.001 0.000 0.329 344 Q C -0.467 175.157 176.000 -0.628 0.000 1.079 344 Q CA 0.274 55.437 55.803 -1.066 0.000 1.041 344 Q CB 0.424 28.652 28.738 -0.850 0.000 1.084 344 Q HN -0.005 nan 8.270 nan 0.000 0.386 345 I N 4.495 124.679 120.570 -0.645 0.000 2.441 345 I HA 0.030 4.200 4.170 0.001 0.000 0.287 345 I C 1.125 177.048 176.117 -0.324 0.000 1.049 345 I CA 0.318 61.377 61.300 -0.402 0.000 1.381 345 I CB 0.720 38.508 38.000 -0.353 0.000 1.409 345 I HN 0.815 nan 8.210 nan 0.000 0.523 346 T N 2.402 116.833 114.554 -0.205 0.000 3.296 346 T HA 0.438 4.789 4.350 0.001 0.000 0.285 346 T C -0.114 174.559 174.700 -0.044 0.000 1.014 346 T CA -0.407 61.620 62.100 -0.122 0.000 0.920 346 T CB -0.584 68.219 68.868 -0.107 0.000 1.143 346 T HN 0.431 nan 8.240 nan 0.000 0.522 347 V N -2.880 117.023 119.914 -0.017 0.000 3.007 347 V HA 0.804 4.925 4.120 0.001 0.000 0.311 347 V C -3.303 172.854 176.094 0.105 0.000 1.120 347 V CA -3.171 59.146 62.300 0.029 0.000 0.980 347 V CB 1.615 33.437 31.823 -0.003 0.000 1.033 347 V HN -0.101 nan 8.190 nan 0.000 0.429 348 P HA 0.381 nan 4.420 nan 0.000 0.267 348 P C 0.249 177.388 177.300 -0.268 0.000 1.209 348 P CA 0.866 63.813 63.100 -0.255 0.000 0.763 348 P CB 0.597 32.118 31.700 -0.299 0.000 0.816 349 G N 1.796 110.246 108.800 -0.584 0.000 2.705 349 G HA2 0.132 4.092 3.960 0.001 0.000 0.299 349 G HA3 0.132 4.092 3.960 0.001 0.000 0.299 349 G C 0.442 175.027 174.900 -0.525 0.000 1.315 349 G CA -0.441 44.483 45.100 -0.293 0.000 1.045 349 G HN 0.265 nan 8.290 nan 0.000 0.517 350 D N -0.216 120.081 120.400 -0.172 0.000 2.271 350 D HA -0.119 4.522 4.640 0.001 0.000 0.207 350 D C 2.234 178.569 176.300 0.058 0.000 0.983 350 D CA 1.212 55.234 54.000 0.037 0.000 0.878 350 D CB -0.079 40.988 40.800 0.445 0.000 0.920 350 D HN 0.667 nan 8.370 nan 0.000 0.479 351 W N 1.032 122.477 121.300 0.242 0.000 2.374 351 W HA -0.001 4.659 4.660 0.001 0.000 0.288 351 W C 1.794 178.408 176.519 0.158 0.000 1.218 351 W CA 0.750 58.247 57.345 0.253 0.000 1.245 351 W CB -1.113 28.581 29.460 0.389 0.000 1.126 351 W HN -0.073 nan 8.180 nan 0.000 0.545 352 A N 1.576 123.981 122.820 -0.692 0.000 2.076 352 A HA -0.069 4.252 4.320 0.001 0.000 0.220 352 A C 2.174 179.618 177.584 -0.233 0.000 1.160 352 A CA 2.099 53.773 52.037 -0.604 0.000 0.653 352 A CB -0.883 17.595 19.000 -0.870 0.000 0.801 352 A HN 0.153 nan 8.150 nan 0.000 0.455 353 V N -0.106 119.675 119.914 -0.222 0.000 2.568 353 V HA -0.212 3.909 4.120 0.001 0.000 0.253 353 V C 2.200 178.229 176.094 -0.107 0.000 1.072 353 V CA 2.135 64.297 62.300 -0.230 0.000 1.084 353 V CB -0.465 31.084 31.823 -0.457 0.000 0.676 353 V HN 0.492 nan 8.190 nan 0.000 0.469 354 K N -0.678 119.719 120.400 -0.005 0.000 2.370 354 K HA 0.231 4.551 4.320 0.001 0.000 0.194 354 K C 0.845 177.489 176.600 0.075 0.000 1.070 354 K CA 0.148 56.460 56.287 0.041 0.000 0.998 354 K CB 0.503 33.052 32.500 0.082 0.000 0.911 354 K HN 0.233 nan 8.250 nan 0.000 0.533 355 R N 1.129 121.710 120.500 0.135 0.000 2.835 355 R HA 0.224 4.565 4.340 0.001 0.000 0.290 355 R C -2.260 174.135 176.300 0.158 0.000 1.410 355 R CA -1.636 54.575 56.100 0.184 0.000 1.590 355 R CB 0.773 31.263 30.300 0.317 0.000 1.288 355 R HN -0.096 nan 8.270 nan 0.000 0.637 356 P HA -0.065 nan 4.420 nan 0.000 0.221 356 P C 0.316 177.650 177.300 0.056 0.000 1.145 356 P CA 1.240 64.346 63.100 0.009 0.000 0.795 356 P CB 0.248 31.940 31.700 -0.013 0.000 0.775 357 N N -1.386 117.372 118.700 0.095 0.000 2.230 357 N HA 0.085 4.825 4.740 0.001 0.000 0.202 357 N C -0.158 175.452 175.510 0.166 0.000 1.119 357 N CA -0.456 52.657 53.050 0.106 0.000 0.851 357 N CB 0.130 38.664 38.487 0.078 0.000 0.990 357 N HN 0.055 nan 8.380 nan 0.000 0.497 358 L N 1.806 123.187 121.223 0.263 0.000 2.292 358 L HA 0.262 4.603 4.340 0.001 0.000 0.284 358 L C -0.331 176.819 176.870 0.466 0.000 1.065 358 L CA -0.439 54.619 54.840 0.364 0.000 0.806 358 L CB 0.632 42.966 42.059 0.457 0.000 1.175 358 L HN -0.189 nan 8.230 nan 0.000 0.431 359 K N 5.871 126.491 120.400 0.368 0.000 2.276 359 K HA 0.370 4.690 4.320 0.001 0.000 0.283 359 K C -2.329 174.503 176.600 0.387 0.000 1.044 359 K CA -1.827 54.656 56.287 0.326 0.000 0.944 359 K CB 0.576 33.196 32.500 0.201 0.000 1.012 359 K HN 0.434 nan 8.250 nan 0.000 0.472 360 P HA 0.030 nan 4.420 nan 0.000 0.266 360 P C 0.407 177.637 177.300 -0.116 0.000 1.195 360 P CA 0.318 63.490 63.100 0.121 0.000 0.768 360 P CB 0.540 32.331 31.700 0.153 0.000 0.838 361 G N 1.176 109.699 108.800 -0.462 0.000 4.496 361 G HA2 0.268 4.228 3.960 0.001 0.000 0.211 361 G HA3 0.268 4.228 3.960 0.001 0.000 0.211 361 G C 0.303 174.922 174.900 -0.469 0.000 0.831 361 G CA 0.187 45.100 45.100 -0.311 0.000 0.815 361 G HN 0.756 nan 8.290 nan 0.000 0.528 362 G N -0.264 107.916 108.800 -1.032 0.000 2.537 362 G HA2 0.652 4.612 3.960 0.001 0.000 0.297 362 G HA3 0.652 4.612 3.960 0.001 0.000 0.297 362 G C -0.954 173.564 174.900 -0.637 0.000 1.310 362 G CA -0.783 43.800 45.100 -0.861 0.000 1.027 362 G HN 0.059 nan 8.290 nan 0.000 0.505 363 F N -1.115 118.680 119.950 -0.259 0.000 2.593 363 F HA 0.710 5.238 4.527 0.001 0.000 0.320 363 F C 0.581 176.367 175.800 -0.022 0.000 1.060 363 F CA -0.814 57.116 58.000 -0.116 0.000 0.940 363 F CB 2.120 41.102 39.000 -0.031 0.000 1.268 363 F HN 0.639 nan 8.300 nan 0.000 0.475 364 A N 0.903 123.839 122.820 0.193 0.000 2.299 364 A HA 0.537 4.857 4.320 0.001 0.000 0.332 364 A C 0.214 177.969 177.584 0.285 0.000 1.131 364 A CA -0.392 51.783 52.037 0.230 0.000 0.844 364 A CB 0.332 19.427 19.000 0.158 0.000 1.251 364 A HN 0.789 nan 8.150 nan 0.000 0.486 365 F N 0.643 120.674 119.950 0.135 0.000 2.102 365 F HA -0.112 4.415 4.527 0.001 0.000 0.298 365 F C 1.777 177.583 175.800 0.010 0.000 1.105 365 F CA 2.197 60.252 58.000 0.093 0.000 1.239 365 F CB -0.023 39.018 39.000 0.068 0.000 0.991 365 F HN 0.667 nan 8.300 nan 0.000 0.474 366 Q N -0.717 119.079 119.800 -0.006 0.000 2.204 366 Q HA 0.098 4.439 4.340 0.001 0.000 0.175 366 Q C 1.165 176.998 176.000 -0.278 0.000 1.020 366 Q CA -0.358 55.264 55.803 -0.302 0.000 1.078 366 Q CB -0.852 27.818 28.738 -0.113 0.000 1.228 366 Q HN 0.201 nan 8.270 nan 0.000 0.550 367 F N 0.541 120.343 119.950 -0.247 0.000 2.060 367 F HA -0.051 4.476 4.527 0.001 0.000 0.295 367 F C 0.832 176.514 175.800 -0.197 0.000 1.120 367 F CA 1.578 59.430 58.000 -0.246 0.000 1.205 367 F CB -0.007 38.809 39.000 -0.307 0.000 0.986 367 F HN 0.540 nan 8.300 nan 0.000 0.470 368 D N -0.795 119.636 120.400 0.051 0.000 2.363 368 D HA 0.172 4.813 4.640 0.001 0.000 0.258 368 D C -1.326 174.929 176.300 -0.076 0.000 1.259 368 D CA -0.166 53.801 54.000 -0.055 0.000 0.921 368 D CB -0.064 40.683 40.800 -0.087 0.000 1.201 368 D HN -0.015 nan 8.370 nan 0.000 0.524 369 N N 3.121 121.780 118.700 -0.068 0.000 2.707 369 N HA 0.086 4.826 4.740 0.001 0.000 0.249 369 N C 0.839 176.284 175.510 -0.109 0.000 1.299 369 N CA -0.473 52.553 53.050 -0.040 0.000 0.769 369 N CB 1.017 39.579 38.487 0.125 0.000 1.236 369 N HN 0.107 nan 8.380 nan 0.000 0.524 370 V N 0.469 120.186 119.914 -0.328 0.000 2.515 370 V HA -0.047 4.074 4.120 0.001 0.000 0.250 370 V C 1.050 176.932 176.094 -0.352 0.000 1.058 370 V CA 1.251 63.306 62.300 -0.410 0.000 1.064 370 V CB -1.082 30.383 31.823 -0.598 0.000 0.675 370 V HN 0.388 nan 8.190 nan 0.000 0.461 371 Y N -0.529 119.632 120.300 -0.231 0.000 2.529 371 Y HA 0.326 4.876 4.550 0.001 0.000 0.290 371 Y C 0.580 176.094 175.900 -0.644 0.000 1.177 371 Y CA -0.628 57.181 58.100 -0.484 0.000 1.305 371 Y CB -0.598 37.402 38.460 -0.766 0.000 1.047 371 Y HN 0.404 nan 8.280 nan 0.000 0.522 372 Y N 0.283 120.761 120.300 0.296 0.000 2.501 372 Y HA 0.341 4.891 4.550 0.001 0.000 0.331 372 Y C -2.562 173.580 175.900 0.404 0.000 0.950 372 Y CA -3.657 54.652 58.100 0.348 0.000 1.120 372 Y CB 0.048 38.611 38.460 0.171 0.000 1.154 372 Y HN -0.090 nan 8.280 nan 0.000 0.630 373 P HA 0.097 nan 4.420 nan 0.000 0.274 373 P C -0.494 177.070 177.300 0.441 0.000 1.231 373 P CA 0.187 63.421 63.100 0.223 0.000 0.790 373 P CB 1.756 33.309 31.700 -0.243 0.000 0.951 374 D N 0.743 121.338 120.400 0.325 0.000 2.457 374 D HA 0.109 4.750 4.640 0.001 0.000 0.240 374 D C 0.979 177.405 176.300 0.210 0.000 1.041 374 D CA -0.860 53.226 54.000 0.143 0.000 0.861 374 D CB 1.832 42.413 40.800 -0.366 0.000 1.394 374 D HN -0.011 nan 8.370 nan 0.000 0.473 375 V N 1.244 121.240 119.914 0.136 0.000 2.332 375 V HA -0.259 3.862 4.120 0.001 0.000 0.248 375 V C 2.061 178.166 176.094 0.018 0.000 1.055 375 V CA 2.023 64.374 62.300 0.086 0.000 1.038 375 V CB -0.606 31.194 31.823 -0.038 0.000 0.651 375 V HN 0.701 nan 8.190 nan 0.000 0.450 376 D N -0.043 120.327 120.400 -0.050 0.000 2.087 376 D HA -0.190 4.451 4.640 0.001 0.000 0.192 376 D C 2.033 178.492 176.300 0.266 0.000 0.993 376 D CA 1.575 55.608 54.000 0.056 0.000 0.828 376 D CB -0.256 40.441 40.800 -0.173 0.000 0.968 376 D HN 0.418 nan 8.370 nan 0.000 0.448 377 D N -0.459 120.088 120.400 0.244 0.000 2.092 377 D HA -0.127 4.513 4.640 0.001 0.000 0.193 377 D C 1.945 178.373 176.300 0.214 0.000 0.994 377 D CA 1.531 55.768 54.000 0.395 0.000 0.828 377 D CB -0.201 40.820 40.800 0.367 0.000 0.963 377 D HN 0.255 nan 8.370 nan 0.000 0.450 378 T N 1.248 115.939 114.554 0.229 0.000 2.665 378 T HA -0.180 4.170 4.350 0.001 0.000 0.268 378 T C 2.064 176.814 174.700 0.083 0.000 1.035 378 T CA 1.714 63.958 62.100 0.240 0.000 1.151 378 T CB -0.334 68.789 68.868 0.424 0.000 0.862 378 T HN 0.209 nan 8.240 nan 0.000 0.438 379 A N 0.970 123.820 122.820 0.049 0.000 1.877 379 A HA -0.055 4.265 4.320 0.001 0.000 0.216 379 A C 2.636 180.254 177.584 0.057 0.000 1.186 379 A CA 1.570 53.584 52.037 -0.039 0.000 0.620 379 A CB -1.057 17.851 19.000 -0.153 0.000 0.822 379 A HN 0.360 nan 8.150 nan 0.000 0.443 380 V N -0.311 119.640 119.914 0.060 0.000 2.295 380 V HA -0.231 3.890 4.120 0.001 0.000 0.246 380 V C 2.583 178.580 176.094 -0.162 0.000 1.049 380 V CA 1.973 64.247 62.300 -0.044 0.000 1.024 380 V CB -0.919 30.768 31.823 -0.226 0.000 0.648 380 V HN 0.373 nan 8.190 nan 0.000 0.447 381 V N -0.164 119.615 119.914 -0.225 0.000 2.237 381 V HA -0.242 3.879 4.120 0.001 0.000 0.245 381 V C 2.454 178.381 176.094 -0.279 0.000 1.046 381 V CA 2.087 64.145 62.300 -0.402 0.000 1.007 381 V CB -0.662 30.593 31.823 -0.947 0.000 0.638 381 V HN 0.393 nan 8.190 nan 0.000 0.445 382 V N -0.711 119.098 119.914 -0.175 0.000 2.324 382 V HA -0.301 3.819 4.120 0.001 0.000 0.250 382 V C 2.099 178.318 176.094 0.209 0.000 1.060 382 V CA 2.527 64.883 62.300 0.094 0.000 1.042 382 V CB -0.825 31.138 31.823 0.232 0.000 0.650 382 V HN 0.842 nan 8.190 nan 0.000 0.450 383 W N 1.222 122.473 121.300 -0.082 0.000 2.381 383 W HA -0.084 4.577 4.660 0.001 0.000 0.301 383 W C 2.430 178.847 176.519 -0.171 0.000 1.205 383 W CA 1.487 58.730 57.345 -0.171 0.000 1.285 383 W CB -0.798 28.536 29.460 -0.211 0.000 1.133 383 W HN 0.208 nan 8.180 nan 0.000 0.521 384 A N 0.893 123.562 122.820 -0.253 0.000 1.877 384 A HA -0.186 4.135 4.320 0.001 0.000 0.216 384 A C 2.298 179.793 177.584 -0.148 0.000 1.186 384 A CA 2.086 53.901 52.037 -0.370 0.000 0.620 384 A CB -1.163 17.622 19.000 -0.358 0.000 0.822 384 A HN 0.356 nan 8.150 nan 0.000 0.443 385 L N -0.438 120.752 121.223 -0.054 0.000 2.042 385 L HA -0.229 4.112 4.340 0.001 0.000 0.210 385 L C 2.393 179.301 176.870 0.064 0.000 1.076 385 L CA 1.666 56.522 54.840 0.027 0.000 0.749 385 L CB -0.685 41.419 42.059 0.075 0.000 0.893 385 L HN 0.503 nan 8.230 nan 0.000 0.432 386 N N -0.220 118.535 118.700 0.092 0.000 2.513 386 N HA -0.170 4.570 4.740 0.001 0.000 0.187 386 N C 1.414 176.947 175.510 0.038 0.000 1.056 386 N CA 1.531 54.631 53.050 0.083 0.000 0.907 386 N CB 0.018 38.443 38.487 -0.104 0.000 0.954 386 N HN 0.433 nan 8.380 nan 0.000 0.445 387 T N -3.299 111.262 114.554 0.012 0.000 3.054 387 T HA 0.293 4.643 4.350 0.001 0.000 0.255 387 T C 0.421 175.126 174.700 0.007 0.000 1.035 387 T CA -0.353 61.747 62.100 0.000 0.000 0.941 387 T CB -0.076 68.761 68.868 -0.051 0.000 1.026 387 T HN -0.049 nan 8.240 nan 0.000 0.533 388 L N 0.693 121.931 121.223 0.025 0.000 2.322 388 L HA 0.631 4.972 4.340 0.001 0.000 0.269 388 L C 0.181 177.084 176.870 0.055 0.000 1.012 388 L CA -1.385 53.478 54.840 0.038 0.000 0.815 388 L CB 1.963 44.046 42.059 0.040 0.000 1.295 388 L HN -0.110 nan 8.230 nan 0.000 0.438 389 R N 2.261 122.794 120.500 0.056 0.000 2.396 389 R HA 0.494 4.835 4.340 0.001 0.000 0.292 389 R C -0.966 175.368 176.300 0.056 0.000 1.240 389 R CA -0.392 55.741 56.100 0.056 0.000 1.270 389 R CB 0.666 30.995 30.300 0.048 0.000 1.108 389 R HN 0.461 nan 8.270 nan 0.000 0.573 390 L N 2.801 124.061 121.223 0.061 0.000 2.439 390 L HA 0.306 4.647 4.340 0.001 0.000 0.261 390 L C -1.252 175.648 176.870 0.050 0.000 1.153 390 L CA -1.977 52.898 54.840 0.060 0.000 0.808 390 L CB 0.616 42.716 42.059 0.068 0.000 1.126 390 L HN 0.188 nan 8.230 nan 0.000 0.460 391 P HA -0.159 nan 4.420 nan 0.000 0.214 391 P C -0.065 177.257 177.300 0.036 0.000 1.163 391 P CA 1.161 64.283 63.100 0.036 0.000 0.883 391 P CB 0.112 31.832 31.700 0.033 0.000 0.788 392 D N -0.225 120.198 120.400 0.039 0.000 2.522 392 D HA -0.001 4.640 4.640 0.001 0.000 0.218 392 D C 0.974 177.300 176.300 0.044 0.000 1.149 392 D CA -0.023 53.999 54.000 0.037 0.000 0.981 392 D CB -0.281 40.540 40.800 0.035 0.000 1.041 392 D HN -0.096 nan 8.370 nan 0.000 0.518 393 E N 1.788 122.014 120.200 0.043 0.000 2.401 393 E HA -0.174 4.176 4.350 0.001 0.000 0.199 393 E C 1.593 178.222 176.600 0.049 0.000 1.023 393 E CA 0.303 56.732 56.400 0.050 0.000 0.859 393 E CB 0.241 29.968 29.700 0.045 0.000 0.780 393 E HN 0.360 nan 8.360 nan 0.000 0.523 394 R N 1.345 121.869 120.500 0.040 0.000 2.057 394 R HA -0.015 4.325 4.340 0.001 0.000 0.229 394 R C 2.143 178.469 176.300 0.042 0.000 1.136 394 R CA 1.669 57.791 56.100 0.035 0.000 0.952 394 R CB -0.517 29.799 30.300 0.026 0.000 0.848 394 R HN 0.002 nan 8.270 nan 0.000 0.430 395 R N -0.128 120.398 120.500 0.043 0.000 2.115 395 R HA 0.001 4.342 4.340 0.001 0.000 0.230 395 R C 2.438 178.781 176.300 0.072 0.000 1.111 395 R CA 1.440 57.569 56.100 0.049 0.000 0.976 395 R CB -0.191 30.134 30.300 0.041 0.000 0.870 395 R HN 0.200 nan 8.270 nan 0.000 0.445 396 R N -0.020 120.527 120.500 0.080 0.000 2.075 396 R HA -0.151 4.189 4.340 0.001 0.000 0.232 396 R C 2.232 178.602 176.300 0.118 0.000 1.126 396 R CA 1.640 57.803 56.100 0.104 0.000 0.963 396 R CB -0.101 30.258 30.300 0.098 0.000 0.858 396 R HN -0.003 nan 8.270 nan 0.000 0.435 397 R N 0.747 121.304 120.500 0.095 0.000 2.066 397 R HA -0.127 4.213 4.340 0.001 0.000 0.232 397 R C 1.681 178.027 176.300 0.077 0.000 1.131 397 R CA 2.233 58.387 56.100 0.089 0.000 0.955 397 R CB -0.663 29.674 30.300 0.062 0.000 0.851 397 R HN 0.277 nan 8.270 nan 0.000 0.432 398 D N -0.632 119.807 120.400 0.065 0.000 2.078 398 D HA -0.085 4.556 4.640 0.001 0.000 0.193 398 D C 1.729 178.077 176.300 0.079 0.000 0.990 398 D CA 1.931 55.964 54.000 0.055 0.000 0.827 398 D CB -0.251 40.574 40.800 0.041 0.000 0.975 398 D HN 0.307 nan 8.370 nan 0.000 0.451 399 A N 0.313 123.192 122.820 0.099 0.000 1.873 399 A HA -0.262 4.059 4.320 0.001 0.000 0.218 399 A C 2.359 180.064 177.584 0.201 0.000 1.193 399 A CA 2.159 54.280 52.037 0.140 0.000 0.629 399 A CB -0.838 18.265 19.000 0.172 0.000 0.826 399 A HN 0.343 nan 8.150 nan 0.000 0.447 400 M N -0.891 118.837 119.600 0.215 0.000 2.106 400 M HA -0.173 4.307 4.480 0.001 0.000 0.259 400 M C 2.248 178.681 176.300 0.221 0.000 1.068 400 M CA 2.166 57.628 55.300 0.270 0.000 1.100 400 M CB -0.855 31.931 32.600 0.310 0.000 1.351 400 M HN 0.511 nan 8.290 nan 0.000 0.404 401 T N 0.322 114.946 114.554 0.117 0.000 2.777 401 T HA -0.117 4.233 4.350 0.001 0.000 0.266 401 T C 1.769 176.549 174.700 0.134 0.000 1.040 401 T CA 1.161 63.289 62.100 0.047 0.000 1.141 401 T CB -0.137 68.720 68.868 -0.018 0.000 0.868 401 T HN 0.385 nan 8.240 nan 0.000 0.444 402 K N 0.589 121.072 120.400 0.138 0.000 2.026 402 K HA -0.030 4.290 4.320 0.001 0.000 0.208 402 K C 2.665 179.404 176.600 0.231 0.000 1.048 402 K CA 1.280 57.656 56.287 0.148 0.000 0.929 402 K CB -0.511 32.038 32.500 0.081 0.000 0.713 402 K HN 0.374 nan 8.250 nan 0.000 0.439 403 G N 1.039 110.001 108.800 0.271 0.000 2.404 403 G HA2 -0.265 3.696 3.960 0.001 0.000 0.215 403 G HA3 -0.265 3.696 3.960 0.001 0.000 0.215 403 G C 1.332 176.477 174.900 0.408 0.000 1.174 403 G CA 0.370 45.687 45.100 0.361 0.000 0.780 403 G HN 0.176 nan 8.290 nan 0.000 0.537 404 F N 1.837 121.905 119.950 0.196 0.000 2.065 404 F HA -0.104 4.423 4.527 0.001 0.000 0.298 404 F C 2.864 178.778 175.800 0.190 0.000 1.112 404 F CA 1.786 59.880 58.000 0.158 0.000 1.212 404 F CB -0.261 38.694 39.000 -0.075 0.000 0.975 404 F HN 0.008 nan 8.300 nan 0.000 0.476 405 R N -1.619 119.195 120.500 0.523 0.000 2.148 405 R HA -0.220 4.121 4.340 0.001 0.000 0.227 405 R C 2.081 178.577 176.300 0.326 0.000 1.103 405 R CA 1.457 57.787 56.100 0.383 0.000 0.983 405 R CB -0.895 29.546 30.300 0.235 0.000 0.874 405 R HN 0.510 nan 8.270 nan 0.000 0.451 406 W N 1.404 122.791 121.300 0.144 0.000 2.409 406 W HA -0.029 4.632 4.660 0.001 0.000 0.299 406 W C 1.610 178.171 176.519 0.070 0.000 1.203 406 W CA 0.949 58.315 57.345 0.036 0.000 1.298 406 W CB -0.184 29.234 29.460 -0.070 0.000 1.127 406 W HN -0.114 nan 8.180 nan 0.000 0.528 407 I N -0.068 120.583 120.570 0.135 0.000 2.179 407 I HA -0.330 3.841 4.170 0.001 0.000 0.242 407 I C 2.139 178.391 176.117 0.226 0.000 1.088 407 I CA 1.477 62.771 61.300 -0.010 0.000 1.357 407 I CB -1.098 36.866 38.000 -0.060 0.000 1.051 407 I HN -0.215 nan 8.210 nan 0.000 0.409 408 V N 1.082 121.191 119.914 0.325 0.000 2.392 408 V HA -0.224 3.896 4.120 0.001 0.000 0.249 408 V C 2.366 178.578 176.094 0.197 0.000 1.059 408 V CA 2.104 64.640 62.300 0.394 0.000 1.051 408 V CB -1.368 30.695 31.823 0.400 0.000 0.658 408 V HN 0.606 nan 8.190 nan 0.000 0.455 409 G N -1.467 107.378 108.800 0.075 0.000 2.848 409 G HA2 -0.048 3.913 3.960 0.001 0.000 0.208 409 G HA3 -0.048 3.913 3.960 0.001 0.000 0.208 409 G C 1.238 176.054 174.900 -0.140 0.000 1.152 409 G CA 0.110 45.198 45.100 -0.020 0.000 0.789 409 G HN 0.324 nan 8.290 nan 0.000 0.531 410 M N -0.374 119.125 119.600 -0.167 0.000 2.461 410 M HA 0.193 4.673 4.480 0.001 0.000 0.255 410 M C 1.102 177.255 176.300 -0.245 0.000 1.137 410 M CA -0.130 55.031 55.300 -0.231 0.000 1.086 410 M CB -0.486 31.872 32.600 -0.403 0.000 1.356 410 M HN 0.288 nan 8.290 nan 0.000 0.487 411 Q N 1.953 121.523 119.800 -0.383 0.000 2.320 411 Q HA -0.007 4.334 4.340 0.001 0.000 0.311 411 Q C -0.448 175.156 176.000 -0.659 0.000 1.083 411 Q CA 0.325 55.447 55.803 -1.135 0.000 1.001 411 Q CB 0.677 28.768 28.738 -1.078 0.000 1.074 411 Q HN 0.181 nan 8.270 nan 0.000 0.379 412 S N 2.165 117.474 115.700 -0.651 0.000 2.634 412 S HA 0.066 4.537 4.470 0.001 0.000 0.261 412 S C 1.202 175.598 174.600 -0.341 0.000 1.271 412 S CA -0.440 57.534 58.200 -0.377 0.000 0.985 412 S CB 1.325 64.346 63.200 -0.297 0.000 0.968 412 S HN 0.807 nan 8.310 nan 0.000 0.568 413 S N 2.353 117.922 115.700 -0.217 0.000 2.378 413 S HA -0.239 4.231 4.470 0.001 0.000 0.229 413 S C 1.557 176.049 174.600 -0.181 0.000 1.052 413 S CA 2.152 60.252 58.200 -0.167 0.000 1.084 413 S CB -0.812 62.327 63.200 -0.102 0.000 0.950 413 S HN 0.869 nan 8.310 nan 0.000 0.440 414 N N 1.003 119.587 118.700 -0.194 0.000 2.609 414 N HA 0.185 4.926 4.740 0.001 0.000 0.190 414 N C 1.019 176.390 175.510 -0.232 0.000 1.157 414 N CA 0.911 53.868 53.050 -0.155 0.000 0.918 414 N CB -0.536 37.897 38.487 -0.090 0.000 0.978 414 N HN 0.465 nan 8.380 nan 0.000 0.448 415 G N -2.241 106.338 108.800 -0.367 0.000 2.176 415 G HA2 -0.205 3.755 3.960 0.001 0.000 0.253 415 G HA3 -0.205 3.755 3.960 0.001 0.000 0.253 415 G C 0.383 174.917 174.900 -0.611 0.000 0.979 415 G CA 0.057 44.903 45.100 -0.424 0.000 0.641 415 G HN 0.814 nan 8.290 nan 0.000 0.530 416 G N -1.708 106.598 108.800 -0.822 0.000 2.537 416 G HA2 0.506 4.466 3.960 0.001 0.000 0.297 416 G HA3 0.506 4.466 3.960 0.001 0.000 0.297 416 G C -0.531 173.995 174.900 -0.624 0.000 1.310 416 G CA -0.632 43.925 45.100 -0.906 0.000 1.027 416 G HN 0.272 nan 8.290 nan 0.000 0.505 417 W N -0.107 121.022 121.300 -0.285 0.000 2.781 417 W HA 0.498 5.158 4.660 0.001 0.000 0.333 417 W C 0.400 176.869 176.519 -0.082 0.000 1.047 417 W CA -0.830 56.414 57.345 -0.168 0.000 1.236 417 W CB 1.857 31.225 29.460 -0.153 0.000 1.394 417 W HN 0.830 nan 8.180 nan 0.000 0.466 418 G N 0.988 109.876 108.800 0.147 0.000 2.508 418 G HA2 0.445 4.406 3.960 0.001 0.000 0.278 418 G HA3 0.445 4.406 3.960 0.001 0.000 0.278 418 G C 0.496 175.497 174.900 0.168 0.000 1.389 418 G CA 0.388 45.597 45.100 0.182 0.000 1.050 418 G HN 0.489 nan 8.290 nan 0.000 0.522 419 A N -2.230 120.685 122.820 0.158 0.000 1.963 419 A HA 0.378 4.699 4.320 0.001 0.000 0.207 419 A C 1.715 179.151 177.584 -0.246 0.000 1.243 419 A CA 0.818 52.762 52.037 -0.155 0.000 0.728 419 A CB 0.015 18.807 19.000 -0.348 0.000 0.895 419 A HN 0.549 nan 8.150 nan 0.000 0.467 420 Y N -0.339 120.143 120.300 0.304 0.000 2.512 420 Y HA 0.284 4.834 4.550 0.001 0.000 0.268 420 Y C -0.015 176.096 175.900 0.352 0.000 1.102 420 Y CA -0.682 57.633 58.100 0.359 0.000 1.261 420 Y CB 0.721 39.425 38.460 0.408 0.000 1.250 420 Y HN 0.127 nan 8.280 nan 0.000 0.506 421 D N -0.726 119.919 120.400 0.408 0.000 2.531 421 D HA 0.471 5.112 4.640 0.001 0.000 0.244 421 D C -1.053 175.352 176.300 0.174 0.000 1.090 421 D CA -0.473 53.717 54.000 0.315 0.000 0.989 421 D CB 3.181 44.165 40.800 0.306 0.000 1.433 421 D HN -0.348 nan 8.370 nan 0.000 0.492 422 V N 1.287 121.277 119.914 0.128 0.000 2.439 422 V HA 0.134 4.255 4.120 0.001 0.000 0.282 422 V C 0.151 176.262 176.094 0.028 0.000 1.039 422 V CA -0.439 61.879 62.300 0.029 0.000 0.913 422 V CB 1.113 32.934 31.823 -0.003 0.000 0.983 422 V HN 0.599 nan 8.190 nan 0.000 0.460 423 D N 2.658 123.048 120.400 -0.016 0.000 2.811 423 D HA -0.194 4.447 4.640 0.001 0.000 0.231 423 D C 0.624 176.940 176.300 0.027 0.000 1.157 423 D CA 0.704 54.698 54.000 -0.011 0.000 0.716 423 D CB -0.548 40.239 40.800 -0.023 0.000 1.077 423 D HN 0.758 nan 8.370 nan 0.000 0.428 424 N N 0.975 119.709 118.700 0.056 0.000 3.178 424 N HA -0.003 4.738 4.740 0.001 0.000 0.300 424 N C 0.562 176.095 175.510 0.038 0.000 1.242 424 N CA 0.557 53.645 53.050 0.064 0.000 1.192 424 N CB 0.053 38.600 38.487 0.100 0.000 1.463 424 N HN 0.210 nan 8.380 nan 0.000 0.539 425 T N -2.398 112.166 114.554 0.018 0.000 3.182 425 T HA 0.101 4.452 4.350 0.001 0.000 0.277 425 T C 0.757 175.448 174.700 -0.016 0.000 1.013 425 T CA -0.545 61.560 62.100 0.008 0.000 0.900 425 T CB 0.078 68.954 68.868 0.012 0.000 1.098 425 T HN 0.138 nan 8.240 nan 0.000 0.543 426 S N 0.779 116.457 115.700 -0.037 0.000 2.563 426 S HA 0.041 4.512 4.470 0.001 0.000 0.269 426 S C 0.802 175.349 174.600 -0.089 0.000 1.364 426 S CA 0.294 58.459 58.200 -0.059 0.000 1.010 426 S CB 0.660 63.804 63.200 -0.093 0.000 0.877 426 S HN 0.521 nan 8.310 nan 0.000 0.549 427 D N 0.816 121.174 120.400 -0.070 0.000 2.473 427 D HA 0.181 4.821 4.640 0.001 0.000 0.230 427 D C 1.801 178.023 176.300 -0.129 0.000 1.097 427 D CA -0.045 53.905 54.000 -0.084 0.000 0.861 427 D CB -0.086 40.733 40.800 0.032 0.000 1.114 427 D HN 0.382 nan 8.370 nan 0.000 0.500 428 L N 2.092 123.277 121.223 -0.065 0.000 1.997 428 L HA -0.131 4.209 4.340 0.001 0.000 0.216 428 L C -0.492 176.190 176.870 -0.314 0.000 1.074 428 L CA 2.097 56.902 54.840 -0.059 0.000 0.763 428 L CB -2.530 39.503 42.059 -0.043 0.000 0.890 428 L HN 0.248 nan 8.230 nan 0.000 0.434 429 P HA -0.187 nan 4.420 nan 0.000 0.216 429 P C 0.960 177.976 177.300 -0.472 0.000 1.150 429 P CA 1.308 64.038 63.100 -0.617 0.000 0.843 429 P CB -0.281 30.816 31.700 -1.006 0.000 0.787 430 N N -0.691 117.705 118.700 -0.505 0.000 2.626 430 N HA -0.102 4.639 4.740 0.001 0.000 0.193 430 N C 0.958 176.081 175.510 -0.645 0.000 1.213 430 N CA 0.737 53.470 53.050 -0.528 0.000 0.914 430 N CB -0.378 37.785 38.487 -0.539 0.000 0.994 430 N HN 0.460 nan 8.380 nan 0.000 0.447 431 H N -0.746 118.120 119.070 -0.339 0.000 3.058 431 H HA 0.214 4.771 4.556 0.001 0.000 0.266 431 H C 0.585 175.607 175.328 -0.510 0.000 1.135 431 H CA -0.444 55.382 56.048 -0.370 0.000 1.174 431 H CB 1.226 30.774 29.762 -0.357 0.000 1.581 431 H HN 0.017 nan 8.280 nan 0.000 0.553 432 I N 2.823 123.135 120.570 -0.430 0.000 2.692 432 I HA 0.007 4.177 4.170 0.001 0.000 0.284 432 I C -1.112 174.985 176.117 -0.034 0.000 1.159 432 I CA -1.852 59.294 61.300 -0.256 0.000 1.423 432 I CB 0.482 38.413 38.000 -0.116 0.000 1.380 432 I HN -0.100 nan 8.210 nan 0.000 0.580 433 P HA -0.178 nan 4.420 nan 0.000 0.218 433 P C 1.761 179.110 177.300 0.081 0.000 1.148 433 P CA 1.264 64.423 63.100 0.098 0.000 0.822 433 P CB 0.062 31.854 31.700 0.153 0.000 0.784 434 F N -0.077 119.848 119.950 -0.042 0.000 2.206 434 F HA -0.055 4.472 4.527 0.001 0.000 0.298 434 F C 0.667 176.371 175.800 -0.160 0.000 1.090 434 F CA 0.770 58.710 58.000 -0.099 0.000 1.323 434 F CB -0.305 38.643 39.000 -0.086 0.000 1.028 434 F HN -0.224 nan 8.300 nan 0.000 0.492 435 C N 3.357 122.653 119.300 -0.007 0.000 2.365 435 C HA 0.171 4.632 4.460 0.001 0.000 0.412 435 C C 0.656 175.560 174.990 -0.143 0.000 1.023 435 C CA -0.257 58.704 59.018 -0.095 0.000 1.287 435 C CB -2.017 25.724 27.740 0.002 0.000 1.675 435 C HN 0.510 nan 8.230 nan 0.000 0.520 436 D N -0.059 120.217 120.400 -0.207 0.000 2.501 436 D HA 0.126 4.766 4.640 0.001 0.000 0.224 436 D C -0.274 176.019 176.300 -0.011 0.000 1.202 436 D CA -0.119 53.816 54.000 -0.107 0.000 0.829 436 D CB 0.123 40.861 40.800 -0.103 0.000 1.023 436 D HN 0.401 nan 8.370 nan 0.000 0.499 437 F N 0.997 120.817 119.950 -0.215 0.000 2.573 437 F HA 0.482 5.010 4.527 0.001 0.000 0.316 437 F C 0.578 176.240 175.800 -0.230 0.000 1.148 437 F CA 0.570 58.487 58.000 -0.138 0.000 0.940 437 F CB 1.586 40.561 39.000 -0.041 0.000 1.214 437 F HN 0.197 nan 8.300 nan 0.000 0.448 438 G N 4.465 112.661 108.800 -1.007 0.000 2.641 438 G HA2 -0.163 3.797 3.960 0.001 0.000 0.254 438 G HA3 -0.163 3.797 3.960 0.001 0.000 0.254 438 G C -0.748 173.646 174.900 -0.844 0.000 1.315 438 G CA -0.371 43.968 45.100 -1.268 0.000 0.907 438 G HN 0.738 nan 8.290 nan 0.000 0.572 439 E N -0.797 118.777 120.200 -1.043 0.000 2.318 439 E HA 0.497 4.848 4.350 0.001 0.000 0.265 439 E C 0.947 177.626 176.600 0.131 0.000 1.069 439 E CA -0.082 56.196 56.400 -0.203 0.000 0.893 439 E CB 1.624 31.434 29.700 0.183 0.000 1.076 439 E HN 0.591 nan 8.360 nan 0.000 0.414 440 V N -0.158 119.844 119.914 0.148 0.000 3.398 440 V HA 0.054 4.175 4.120 0.001 0.000 0.298 440 V C 0.328 176.391 176.094 -0.051 0.000 1.496 440 V CA 0.270 62.633 62.300 0.105 0.000 1.044 440 V CB 0.705 32.522 31.823 -0.010 0.000 0.880 440 V HN 0.744 nan 8.190 nan 0.000 0.443 441 T N -2.737 111.833 114.554 0.027 0.000 2.906 441 T HA 0.613 4.963 4.350 0.001 0.000 0.295 441 T C -1.174 173.604 174.700 0.131 0.000 1.075 441 T CA -0.419 61.658 62.100 -0.038 0.000 1.005 441 T CB 2.741 71.575 68.868 -0.056 0.000 1.136 441 T HN -0.001 nan 8.240 nan 0.000 0.498 442 D N 2.661 123.119 120.400 0.098 0.000 2.551 442 D HA 0.369 5.010 4.640 0.001 0.000 0.294 442 D C -2.240 174.211 176.300 0.251 0.000 1.201 442 D CA -1.977 52.210 54.000 0.313 0.000 0.941 442 D CB 0.612 41.603 40.800 0.318 0.000 0.995 442 D HN 0.320 nan 8.370 nan 0.000 0.502 443 P HA 0.314 nan 4.420 nan 0.000 0.276 443 P C -2.654 174.749 177.300 0.171 0.000 1.252 443 P CA -1.572 61.615 63.100 0.146 0.000 0.802 443 P CB 0.428 32.199 31.700 0.119 0.000 1.035 444 P HA 0.071 nan 4.420 nan 0.000 0.269 444 P C -0.122 177.292 177.300 0.189 0.000 1.209 444 P CA 0.452 63.582 63.100 0.050 0.000 0.776 444 P CB 0.233 31.797 31.700 -0.227 0.000 0.876 445 S N 0.406 116.256 115.700 0.250 0.000 2.599 445 S HA 0.384 4.855 4.470 0.001 0.000 0.294 445 S C 0.732 175.534 174.600 0.337 0.000 1.094 445 S CA -0.620 57.778 58.200 0.329 0.000 0.931 445 S CB 1.704 65.090 63.200 0.310 0.000 1.093 445 S HN 0.215 nan 8.310 nan 0.000 0.488 446 E N 1.458 121.834 120.200 0.295 0.000 2.077 446 E HA -0.141 4.209 4.350 0.001 0.000 0.193 446 E C 1.576 178.124 176.600 -0.086 0.000 0.989 446 E CA 1.842 58.322 56.400 0.133 0.000 0.800 446 E CB -0.215 29.518 29.700 0.057 0.000 0.746 446 E HN 0.829 nan 8.360 nan 0.000 0.452 447 D N 0.695 121.011 120.400 -0.139 0.000 2.097 447 D HA -0.135 4.505 4.640 0.001 0.000 0.197 447 D C 2.006 178.010 176.300 -0.494 0.000 0.984 447 D CA 1.049 54.805 54.000 -0.407 0.000 0.826 447 D CB -0.688 39.908 40.800 -0.340 0.000 0.973 447 D HN 0.143 nan 8.370 nan 0.000 0.460 448 V N 1.310 121.135 119.914 -0.148 0.000 2.287 448 V HA -0.249 3.872 4.120 0.001 0.000 0.248 448 V C 2.774 178.790 176.094 -0.131 0.000 1.053 448 V CA 2.312 64.549 62.300 -0.104 0.000 1.027 448 V CB -1.094 30.762 31.823 0.055 0.000 0.646 448 V HN 0.298 nan 8.190 nan 0.000 0.447 449 T N 0.489 115.038 114.554 -0.009 0.000 2.684 449 T HA -0.212 4.138 4.350 0.001 0.000 0.267 449 T C 2.094 176.720 174.700 -0.123 0.000 1.036 449 T CA 1.751 63.894 62.100 0.072 0.000 1.148 449 T CB -0.525 68.494 68.868 0.252 0.000 0.863 449 T HN 0.590 nan 8.240 nan 0.000 0.436 450 A N 1.364 124.050 122.820 -0.224 0.000 1.892 450 A HA -0.227 4.093 4.320 0.001 0.000 0.218 450 A C 1.933 179.377 177.584 -0.233 0.000 1.188 450 A CA 2.045 53.909 52.037 -0.289 0.000 0.631 450 A CB -1.136 17.614 19.000 -0.415 0.000 0.822 450 A HN 0.744 nan 8.150 nan 0.000 0.447 451 H N -1.248 117.681 119.070 -0.234 0.000 2.387 451 H HA -0.093 4.463 4.556 0.001 0.000 0.299 451 H C 2.113 177.205 175.328 -0.393 0.000 1.099 451 H CA 0.944 56.865 56.048 -0.212 0.000 1.315 451 H CB -0.049 29.678 29.762 -0.058 0.000 1.380 451 H HN 0.318 nan 8.280 nan 0.000 0.513 452 V N 0.738 120.402 119.914 -0.418 0.000 2.261 452 V HA -0.250 3.870 4.120 0.001 0.000 0.246 452 V C 2.273 177.776 176.094 -0.985 0.000 1.047 452 V CA 1.506 63.267 62.300 -0.898 0.000 1.015 452 V CB -0.486 30.505 31.823 -1.386 0.000 0.642 452 V HN 0.213 nan 8.190 nan 0.000 0.446 453 L N 0.121 120.995 121.223 -0.581 0.000 2.012 453 L HA -0.202 4.138 4.340 0.001 0.000 0.210 453 L C 2.519 179.189 176.870 -0.333 0.000 1.073 453 L CA 2.224 56.884 54.840 -0.299 0.000 0.748 453 L CB -1.001 40.995 42.059 -0.106 0.000 0.891 453 L HN 0.450 nan 8.230 nan 0.000 0.431 454 E N -1.246 118.702 120.200 -0.421 0.000 2.171 454 E HA -0.259 4.092 4.350 0.001 0.000 0.197 454 E C 2.349 178.391 176.600 -0.931 0.000 0.997 454 E CA 1.557 57.601 56.400 -0.595 0.000 0.810 454 E CB -0.393 28.944 29.700 -0.605 0.000 0.738 454 E HN 0.530 nan 8.360 nan 0.000 0.467 455 C N -0.620 118.182 119.300 -0.829 0.000 2.508 455 C HA -0.049 4.412 4.460 0.001 0.000 0.280 455 C C 2.245 177.036 174.990 -0.333 0.000 1.262 455 C CA 0.641 59.212 59.018 -0.744 0.000 1.706 455 C CB -1.436 25.979 27.740 -0.541 0.000 2.078 455 C HN 0.535 nan 8.230 nan 0.000 0.480 456 F N 1.973 121.824 119.950 -0.165 0.000 2.120 456 F HA 0.034 4.561 4.527 0.001 0.000 0.300 456 F C 2.645 178.562 175.800 0.195 0.000 1.095 456 F CA 1.485 59.554 58.000 0.115 0.000 1.249 456 F CB -1.739 37.335 39.000 0.123 0.000 0.995 456 F HN 0.366 nan 8.300 nan 0.000 0.480 457 G N -0.426 108.476 108.800 0.171 0.000 2.475 457 G HA2 -0.308 3.653 3.960 0.001 0.000 0.220 457 G HA3 -0.308 3.653 3.960 0.001 0.000 0.220 457 G C 1.792 176.689 174.900 -0.004 0.000 1.125 457 G CA 1.433 46.581 45.100 0.080 0.000 0.755 457 G HN 0.488 nan 8.290 nan 0.000 0.565 458 S N 0.202 115.770 115.700 -0.220 0.000 2.399 458 S HA -0.016 4.455 4.470 0.001 0.000 0.231 458 S C 1.973 176.465 174.600 -0.179 0.000 1.022 458 S CA 1.050 59.069 58.200 -0.301 0.000 0.983 458 S CB -0.481 62.375 63.200 -0.573 0.000 0.803 458 S HN 0.225 nan 8.310 nan 0.000 0.480 459 F N 2.003 122.077 119.950 0.207 0.000 2.615 459 F HA 0.393 4.921 4.527 0.001 0.000 0.297 459 F C 2.302 178.281 175.800 0.299 0.000 1.124 459 F CA 0.319 58.506 58.000 0.312 0.000 1.451 459 F CB -0.309 38.977 39.000 0.476 0.000 1.103 459 F HN 0.478 nan 8.300 nan 0.000 0.569 460 G N -1.652 107.396 108.800 0.413 0.000 2.316 460 G HA2 -0.254 3.706 3.960 0.001 0.000 0.203 460 G HA3 -0.254 3.706 3.960 0.001 0.000 0.203 460 G C -0.093 174.937 174.900 0.217 0.000 0.999 460 G CA -0.641 44.595 45.100 0.226 0.000 0.649 460 G HN 0.112 nan 8.290 nan 0.000 0.489 461 Y N 4.140 124.555 120.300 0.193 0.000 2.815 461 Y HA 0.283 4.834 4.550 0.001 0.000 0.346 461 Y C 1.357 177.400 175.900 0.238 0.000 1.267 461 Y CA 0.132 58.344 58.100 0.187 0.000 1.604 461 Y CB 0.132 38.743 38.460 0.251 0.000 1.218 461 Y HN 0.476 nan 8.280 nan 0.000 0.527 462 D N 0.925 121.477 120.400 0.253 0.000 2.539 462 D HA 0.048 4.689 4.640 0.001 0.000 0.280 462 D C 0.581 177.030 176.300 0.248 0.000 1.208 462 D CA -0.381 53.747 54.000 0.213 0.000 1.088 462 D CB 0.466 41.338 40.800 0.120 0.000 1.149 462 D HN 0.450 nan 8.370 nan 0.000 0.596 463 D N -1.041 119.464 120.400 0.175 0.000 2.351 463 D HA -0.069 4.572 4.640 0.001 0.000 0.216 463 D C 1.820 178.214 176.300 0.156 0.000 0.968 463 D CA 1.249 55.343 54.000 0.156 0.000 0.899 463 D CB -0.200 40.669 40.800 0.114 0.000 0.907 463 D HN 0.430 nan 8.370 nan 0.000 0.514 464 A N -0.075 122.842 122.820 0.162 0.000 1.933 464 A HA -0.080 4.241 4.320 0.001 0.000 0.218 464 A C 0.940 178.661 177.584 0.229 0.000 1.175 464 A CA 0.411 52.536 52.037 0.148 0.000 0.628 464 A CB -0.884 18.177 19.000 0.102 0.000 0.814 464 A HN 0.473 nan 8.150 nan 0.000 0.444 465 W N 1.941 123.277 121.300 0.059 0.000 2.308 465 W HA 0.236 4.896 4.660 0.001 0.000 0.324 465 W C 1.307 177.869 176.519 0.072 0.000 1.387 465 W CA -0.625 56.763 57.345 0.073 0.000 1.250 465 W CB 0.573 30.110 29.460 0.129 0.000 1.257 465 W HN 0.349 nan 8.180 nan 0.000 0.554 466 K N 3.346 123.796 120.400 0.083 0.000 2.074 466 K HA -0.218 4.102 4.320 0.001 0.000 0.209 466 K C 1.522 177.930 176.600 -0.320 0.000 1.048 466 K CA 2.202 58.430 56.287 -0.099 0.000 0.926 466 K CB -0.182 32.291 32.500 -0.046 0.000 0.713 466 K HN 0.434 nan 8.250 nan 0.000 0.444 467 V N 1.948 121.383 119.914 -0.798 0.000 2.324 467 V HA -0.304 3.817 4.120 0.001 0.000 0.250 467 V C 2.404 178.253 176.094 -0.408 0.000 1.060 467 V CA 1.588 63.409 62.300 -0.799 0.000 1.042 467 V CB -0.440 30.453 31.823 -1.550 0.000 0.650 467 V HN 0.363 nan 8.190 nan 0.000 0.450 468 I N -0.103 120.275 120.570 -0.320 0.000 2.202 468 I HA -0.195 3.975 4.170 0.001 0.000 0.242 468 I C 2.609 178.751 176.117 0.042 0.000 1.091 468 I CA 1.759 63.079 61.300 0.033 0.000 1.368 468 I CB -1.203 36.918 38.000 0.202 0.000 1.058 468 I HN 0.360 nan 8.210 nan 0.000 0.410 469 R N 1.485 121.989 120.500 0.007 0.000 2.083 469 R HA -0.168 4.173 4.340 0.001 0.000 0.237 469 R C 2.458 178.761 176.300 0.004 0.000 1.137 469 R CA 1.527 57.639 56.100 0.020 0.000 0.951 469 R CB -0.146 30.162 30.300 0.014 0.000 0.851 469 R HN 0.288 nan 8.270 nan 0.000 0.434 470 R N -0.039 120.433 120.500 -0.047 0.000 2.127 470 R HA -0.126 4.214 4.340 0.001 0.000 0.238 470 R C 2.306 178.602 176.300 -0.007 0.000 1.134 470 R CA 1.436 57.503 56.100 -0.056 0.000 0.975 470 R CB -0.357 29.860 30.300 -0.137 0.000 0.865 470 R HN 0.313 nan 8.270 nan 0.000 0.447 471 A N 0.757 123.591 122.820 0.023 0.000 1.874 471 A HA -0.041 4.279 4.320 0.001 0.000 0.214 471 A C 2.398 180.092 177.584 0.183 0.000 1.189 471 A CA 0.913 53.029 52.037 0.131 0.000 0.615 471 A CB -0.404 18.745 19.000 0.248 0.000 0.830 471 A HN 0.082 nan 8.150 nan 0.000 0.443 472 V N 0.576 120.564 119.914 0.123 0.000 2.287 472 V HA -0.250 3.870 4.120 0.001 0.000 0.248 472 V C 2.567 178.715 176.094 0.091 0.000 1.053 472 V CA 2.205 64.568 62.300 0.105 0.000 1.027 472 V CB -0.820 31.059 31.823 0.094 0.000 0.646 472 V HN 0.500 nan 8.190 nan 0.000 0.447 473 E N -0.528 119.713 120.200 0.070 0.000 2.097 473 E HA -0.265 4.086 4.350 0.001 0.000 0.196 473 E C 2.005 178.649 176.600 0.073 0.000 1.000 473 E CA 1.877 58.302 56.400 0.042 0.000 0.804 473 E CB -0.521 29.197 29.700 0.030 0.000 0.740 473 E HN 0.783 nan 8.360 nan 0.000 0.454 474 Y N 1.536 121.840 120.300 0.007 0.000 2.070 474 Y HA -0.239 4.311 4.550 0.001 0.000 0.280 474 Y C 2.283 178.226 175.900 0.073 0.000 1.148 474 Y CA 1.697 59.808 58.100 0.019 0.000 1.125 474 Y CB -0.715 37.744 38.460 -0.002 0.000 0.975 474 Y HN -0.060 nan 8.280 nan 0.000 0.492 475 L N 0.296 121.441 121.223 -0.129 0.000 1.990 475 L HA -0.301 4.039 4.340 0.001 0.000 0.213 475 L C 2.580 179.528 176.870 0.131 0.000 1.072 475 L CA 2.087 56.856 54.840 -0.119 0.000 0.755 475 L CB -0.733 41.279 42.059 -0.078 0.000 0.889 475 L HN 0.171 nan 8.230 nan 0.000 0.432 476 K N -0.106 120.371 120.400 0.129 0.000 2.127 476 K HA -0.219 4.101 4.320 0.001 0.000 0.208 476 K C 2.174 178.777 176.600 0.005 0.000 1.047 476 K CA 1.580 57.921 56.287 0.090 0.000 0.927 476 K CB -0.165 32.279 32.500 -0.092 0.000 0.716 476 K HN 0.346 nan 8.250 nan 0.000 0.450 477 R N 0.140 120.613 120.500 -0.046 0.000 2.193 477 R HA -0.029 4.312 4.340 0.001 0.000 0.213 477 R C 1.686 177.932 176.300 -0.090 0.000 1.055 477 R CA 0.595 56.653 56.100 -0.069 0.000 0.995 477 R CB 0.130 30.398 30.300 -0.053 0.000 0.893 477 R HN 0.165 nan 8.270 nan 0.000 0.459 478 E N 0.975 121.107 120.200 -0.113 0.000 2.276 478 E HA -0.059 4.291 4.350 0.001 0.000 0.193 478 E C 0.469 177.030 176.600 -0.065 0.000 0.983 478 E CA 0.120 56.463 56.400 -0.094 0.000 0.861 478 E CB 0.038 29.623 29.700 -0.192 0.000 0.817 478 E HN 0.289 nan 8.360 nan 0.000 0.485 479 Q N 2.070 121.822 119.800 -0.079 0.000 2.368 479 Q HA -0.114 4.227 4.340 0.001 0.000 0.331 479 Q C -0.277 175.446 176.000 -0.462 0.000 1.086 479 Q CA 0.490 55.899 55.803 -0.656 0.000 1.031 479 Q CB 0.548 28.867 28.738 -0.698 0.000 1.125 479 Q HN -0.280 nan 8.270 nan 0.000 0.389 480 K N 4.822 124.907 120.400 -0.525 0.000 2.219 480 K HA 0.093 4.414 4.320 0.001 0.000 0.258 480 K C -1.793 174.614 176.600 -0.322 0.000 1.008 480 K CA -1.857 54.229 56.287 -0.335 0.000 0.928 480 K CB 0.056 32.371 32.500 -0.309 0.000 0.983 480 K HN 0.498 nan 8.250 nan 0.000 0.484 481 P HA -0.209 nan 4.420 nan 0.000 0.216 481 P C 0.412 177.617 177.300 -0.158 0.000 1.154 481 P CA 1.559 64.565 63.100 -0.156 0.000 0.865 481 P CB 0.123 31.758 31.700 -0.107 0.000 0.789 482 D N -2.124 118.162 120.400 -0.190 0.000 2.336 482 D HA 0.036 4.677 4.640 0.001 0.000 0.229 482 D C 1.251 177.408 176.300 -0.238 0.000 1.061 482 D CA 0.802 54.727 54.000 -0.124 0.000 0.875 482 D CB -0.821 39.967 40.800 -0.020 0.000 0.904 482 D HN 0.265 nan 8.370 nan 0.000 0.525 483 G N 0.845 109.419 108.800 -0.377 0.000 2.143 483 G HA2 -0.294 3.667 3.960 0.001 0.000 0.249 483 G HA3 -0.294 3.667 3.960 0.001 0.000 0.249 483 G C 0.348 174.774 174.900 -0.790 0.000 0.981 483 G CA 0.504 45.310 45.100 -0.490 0.000 0.665 483 G HN 0.745 nan 8.290 nan 0.000 0.528 484 S N -0.929 114.207 115.700 -0.941 0.000 2.713 484 S HA 0.807 5.277 4.470 0.001 0.000 0.283 484 S C -0.316 173.866 174.600 -0.697 0.000 1.161 484 S CA -0.811 56.767 58.200 -1.037 0.000 0.999 484 S CB 1.888 64.172 63.200 -1.525 0.000 1.039 484 S HN 0.506 nan 8.310 nan 0.000 0.548 485 W N 1.102 122.270 121.300 -0.220 0.000 2.683 485 W HA 0.401 5.061 4.660 0.001 0.000 0.329 485 W C -0.616 175.899 176.519 -0.007 0.000 1.037 485 W CA -1.615 55.685 57.345 -0.075 0.000 1.232 485 W CB 1.561 30.929 29.460 -0.154 0.000 1.390 485 W HN 0.755 nan 8.180 nan 0.000 0.465 486 F N 2.217 122.209 119.950 0.070 0.000 2.628 486 F HA 0.341 4.869 4.527 0.001 0.000 0.362 486 F C 0.770 176.456 175.800 -0.190 0.000 1.148 486 F CA 0.650 58.499 58.000 -0.251 0.000 1.352 486 F CB 0.635 39.584 39.000 -0.085 0.000 1.081 486 F HN 0.283 nan 8.300 nan 0.000 0.605 487 G N 5.395 113.528 108.800 -1.111 0.000 2.603 487 G HA2 0.365 4.325 3.960 0.001 0.000 0.324 487 G HA3 0.365 4.325 3.960 0.001 0.000 0.324 487 G C 0.339 174.698 174.900 -0.901 0.000 1.178 487 G CA -0.610 44.103 45.100 -0.644 0.000 1.023 487 G HN 0.770 nan 8.290 nan 0.000 0.482 488 R N 2.401 122.531 120.500 -0.617 0.000 2.057 488 R HA 0.017 4.358 4.340 0.001 0.000 0.229 488 R C 0.786 176.732 176.300 -0.589 0.000 1.136 488 R CA 1.256 57.021 56.100 -0.559 0.000 0.952 488 R CB -0.203 29.922 30.300 -0.293 0.000 0.848 488 R HN 0.609 nan 8.270 nan 0.000 0.430 489 W N -0.155 121.089 121.300 -0.093 0.000 3.067 489 W HA 0.546 5.207 4.660 0.001 0.000 0.417 489 W C -0.156 176.127 176.519 -0.393 0.000 1.029 489 W CA 0.068 57.306 57.345 -0.177 0.000 1.992 489 W CB 0.786 30.157 29.460 -0.147 0.000 1.122 489 W HN 0.238 nan 8.180 nan 0.000 0.681 490 G N -0.162 108.406 108.800 -0.388 0.000 2.750 490 G HA2 0.363 4.324 3.960 0.001 0.000 0.298 490 G HA3 0.363 4.324 3.960 0.001 0.000 0.298 490 G C -1.457 173.269 174.900 -0.290 0.000 1.412 490 G CA -0.855 43.691 45.100 -0.923 0.000 1.078 490 G HN -0.217 nan 8.290 nan 0.000 0.573 491 V N 3.169 123.088 119.914 0.008 0.000 2.390 491 V HA 0.246 4.367 4.120 0.001 0.000 0.260 491 V C 0.573 176.794 176.094 0.210 0.000 1.043 491 V CA 0.242 62.651 62.300 0.181 0.000 1.047 491 V CB 0.353 32.300 31.823 0.206 0.000 1.066 491 V HN 0.854 nan 8.190 nan 0.000 0.481 492 N N 3.592 122.352 118.700 0.100 0.000 2.714 492 N HA 0.042 4.782 4.740 0.001 0.000 0.312 492 N C 1.120 176.482 175.510 -0.246 0.000 1.297 492 N CA 0.041 52.972 53.050 -0.199 0.000 1.582 492 N CB -0.071 38.112 38.487 -0.507 0.000 0.778 492 N HN 0.267 nan 8.380 nan 0.000 1.341 493 Y N 2.086 122.374 120.300 -0.021 0.000 2.314 493 Y HA 0.261 4.812 4.550 0.001 0.000 0.293 493 Y C 2.305 178.196 175.900 -0.015 0.000 1.129 493 Y CA 0.814 58.869 58.100 -0.075 0.000 1.201 493 Y CB -0.131 38.240 38.460 -0.147 0.000 0.999 493 Y HN 0.157 nan 8.280 nan 0.000 0.541 494 L N -1.641 119.763 121.223 0.302 0.000 2.093 494 L HA -0.234 4.107 4.340 0.001 0.000 0.208 494 L C 2.276 179.220 176.870 0.123 0.000 1.085 494 L CA 1.319 56.330 54.840 0.285 0.000 0.755 494 L CB -0.569 41.690 42.059 0.332 0.000 0.904 494 L HN 0.259 nan 8.230 nan 0.000 0.435 495 Y N 0.672 120.896 120.300 -0.126 0.000 2.133 495 Y HA -0.137 4.414 4.550 0.001 0.000 0.287 495 Y C 2.278 177.855 175.900 -0.538 0.000 1.134 495 Y CA 1.504 59.190 58.100 -0.690 0.000 1.133 495 Y CB -0.845 37.117 38.460 -0.830 0.000 0.987 495 Y HN 0.033 nan 8.280 nan 0.000 0.502 496 G N -0.822 107.678 108.800 -0.500 0.000 2.453 496 G HA2 -0.265 3.695 3.960 0.001 0.000 0.215 496 G HA3 -0.265 3.695 3.960 0.001 0.000 0.215 496 G C 1.651 176.357 174.900 -0.323 0.000 1.201 496 G CA 1.673 46.480 45.100 -0.487 0.000 0.784 496 G HN 0.433 nan 8.290 nan 0.000 0.545 497 T N 1.132 115.633 114.554 -0.090 0.000 2.699 497 T HA -0.117 4.233 4.350 0.001 0.000 0.268 497 T C 2.455 177.095 174.700 -0.099 0.000 1.036 497 T CA 1.680 63.814 62.100 0.055 0.000 1.147 497 T CB -0.733 68.171 68.868 0.061 0.000 0.862 497 T HN 0.386 nan 8.240 nan 0.000 0.446 498 G N 1.150 109.847 108.800 -0.171 0.000 2.446 498 G HA2 -0.080 3.881 3.960 0.001 0.000 0.217 498 G HA3 -0.080 3.881 3.960 0.001 0.000 0.217 498 G C 1.850 176.596 174.900 -0.255 0.000 1.168 498 G CA 1.024 46.013 45.100 -0.185 0.000 0.771 498 G HN 0.604 nan 8.290 nan 0.000 0.551 499 A N 0.096 122.667 122.820 -0.415 0.000 1.865 499 A HA 0.025 4.346 4.320 0.001 0.000 0.217 499 A C 2.647 180.017 177.584 -0.357 0.000 1.191 499 A CA 2.144 53.950 52.037 -0.383 0.000 0.623 499 A CB -0.850 17.785 19.000 -0.609 0.000 0.826 499 A HN 0.291 nan 8.150 nan 0.000 0.444 500 V N -0.274 119.350 119.914 -0.483 0.000 2.220 500 V HA -0.271 3.850 4.120 0.001 0.000 0.246 500 V C 2.582 178.397 176.094 -0.466 0.000 1.049 500 V CA 2.162 64.080 62.300 -0.637 0.000 1.003 500 V CB -1.115 29.948 31.823 -1.267 0.000 0.634 500 V HN 0.370 nan 8.190 nan 0.000 0.444 501 V N -0.196 119.511 119.914 -0.345 0.000 2.324 501 V HA -0.304 3.816 4.120 0.001 0.000 0.250 501 V C 2.696 178.698 176.094 -0.153 0.000 1.060 501 V CA 2.481 64.668 62.300 -0.188 0.000 1.042 501 V CB -0.904 30.875 31.823 -0.073 0.000 0.650 501 V HN 0.615 nan 8.190 nan 0.000 0.450 502 S N -0.490 115.123 115.700 -0.146 0.000 2.368 502 S HA -0.198 4.273 4.470 0.001 0.000 0.225 502 S C 2.103 176.626 174.600 -0.127 0.000 1.030 502 S CA 1.713 59.851 58.200 -0.102 0.000 0.999 502 S CB -0.322 62.836 63.200 -0.071 0.000 0.844 502 S HN 0.638 nan 8.310 nan 0.000 0.459 503 A N 1.571 124.284 122.820 -0.178 0.000 1.855 503 A HA 0.088 4.409 4.320 0.001 0.000 0.215 503 A C 2.190 179.687 177.584 -0.145 0.000 1.191 503 A CA 1.420 53.341 52.037 -0.193 0.000 0.613 503 A CB -0.991 17.872 19.000 -0.227 0.000 0.829 503 A HN 0.558 nan 8.150 nan 0.000 0.442 504 L N -0.462 120.671 121.223 -0.150 0.000 2.129 504 L HA -0.223 4.117 4.340 0.001 0.000 0.212 504 L C 2.632 179.473 176.870 -0.048 0.000 1.087 504 L CA 1.626 56.416 54.840 -0.084 0.000 0.757 504 L CB -0.465 41.533 42.059 -0.102 0.000 0.896 504 L HN 0.337 nan 8.230 nan 0.000 0.434 505 K N 0.635 120.995 120.400 -0.067 0.000 2.155 505 K HA -0.077 4.244 4.320 0.001 0.000 0.203 505 K C 1.980 178.561 176.600 -0.031 0.000 1.052 505 K CA 1.379 57.642 56.287 -0.040 0.000 0.948 505 K CB 0.023 32.498 32.500 -0.042 0.000 0.728 505 K HN 0.278 nan 8.250 nan 0.000 0.448 506 A N 0.720 123.504 122.820 -0.059 0.000 2.016 506 A HA -0.051 4.270 4.320 0.001 0.000 0.217 506 A C 1.851 179.427 177.584 -0.014 0.000 1.162 506 A CA 1.230 53.228 52.037 -0.065 0.000 0.662 506 A CB -0.270 18.635 19.000 -0.157 0.000 0.812 506 A HN 0.160 nan 8.150 nan 0.000 0.450 507 V N -3.696 116.225 119.914 0.011 0.000 3.646 507 V HA 0.515 4.636 4.120 0.001 0.000 0.277 507 V C 1.337 177.483 176.094 0.087 0.000 1.274 507 V CA 0.758 63.107 62.300 0.081 0.000 1.164 507 V CB -0.869 31.017 31.823 0.105 0.000 0.926 507 V HN 1.279 nan 8.190 nan 0.000 0.442 508 G N 0.253 109.086 108.800 0.055 0.000 2.234 508 G HA2 -0.228 3.733 3.960 0.001 0.000 0.235 508 G HA3 -0.228 3.733 3.960 0.001 0.000 0.235 508 G C 0.079 175.013 174.900 0.056 0.000 0.997 508 G CA 0.009 45.143 45.100 0.057 0.000 0.623 508 G HN 0.430 nan 8.290 nan 0.000 0.514 509 I N 1.877 122.486 120.570 0.064 0.000 3.058 509 I HA 0.059 4.230 4.170 0.001 0.000 0.299 509 I C 0.748 176.900 176.117 0.058 0.000 1.238 509 I CA 0.027 61.374 61.300 0.078 0.000 1.423 509 I CB 0.066 38.124 38.000 0.098 0.000 1.330 509 I HN 0.304 nan 8.210 nan 0.000 0.589 510 D N 2.908 123.352 120.400 0.073 0.000 2.339 510 D HA 0.087 4.728 4.640 0.001 0.000 0.256 510 D C 1.254 177.570 176.300 0.026 0.000 1.214 510 D CA -0.100 53.931 54.000 0.053 0.000 0.877 510 D CB 0.754 41.595 40.800 0.067 0.000 1.111 510 D HN 0.647 nan 8.370 nan 0.000 0.478 511 T N 1.223 115.781 114.554 0.006 0.000 3.155 511 T HA -0.138 4.213 4.350 0.001 0.000 0.264 511 T C 1.631 176.322 174.700 -0.016 0.000 1.160 511 T CA 0.482 62.570 62.100 -0.019 0.000 1.075 511 T CB -0.044 68.818 68.868 -0.010 0.000 0.921 511 T HN 0.381 nan 8.240 nan 0.000 0.533 512 R N 0.639 121.145 120.500 0.009 0.000 2.254 512 R HA 0.100 4.440 4.340 0.001 0.000 0.195 512 R C 0.212 176.530 176.300 0.030 0.000 0.957 512 R CA -0.133 55.979 56.100 0.019 0.000 1.024 512 R CB 0.142 30.461 30.300 0.030 0.000 0.952 512 R HN 0.352 nan 8.270 nan 0.000 0.484 513 E N 1.058 121.285 120.200 0.044 0.000 2.570 513 E HA -0.135 4.216 4.350 0.001 0.000 0.274 513 E C -1.885 174.775 176.600 0.100 0.000 1.073 513 E CA -0.574 55.896 56.400 0.118 0.000 1.005 513 E CB 0.312 30.151 29.700 0.231 0.000 1.008 513 E HN 0.133 nan 8.360 nan 0.000 0.460 514 P HA -0.165 nan 4.420 nan 0.000 0.212 514 P C 1.424 178.820 177.300 0.160 0.000 1.180 514 P CA 1.605 64.794 63.100 0.148 0.000 0.906 514 P CB -0.258 31.529 31.700 0.146 0.000 0.782 515 Y N -0.985 119.329 120.300 0.023 0.000 2.315 515 Y HA -0.145 4.406 4.550 0.001 0.000 0.288 515 Y C 1.824 177.752 175.900 0.047 0.000 1.154 515 Y CA 0.585 58.689 58.100 0.008 0.000 1.229 515 Y CB -1.936 36.534 38.460 0.018 0.000 0.980 515 Y HN -0.109 nan 8.280 nan 0.000 0.540 516 I N 0.639 120.884 120.570 -0.540 0.000 2.162 516 I HA -0.215 3.955 4.170 0.001 0.000 0.238 516 I C 2.397 178.438 176.117 -0.127 0.000 1.076 516 I CA 1.272 62.319 61.300 -0.421 0.000 1.353 516 I CB -1.330 36.436 38.000 -0.390 0.000 1.063 516 I HN 0.289 nan 8.210 nan 0.000 0.408 517 Q N 0.792 120.553 119.800 -0.065 0.000 2.152 517 Q HA -0.247 4.093 4.340 0.001 0.000 0.206 517 Q C 2.150 178.163 176.000 0.023 0.000 0.985 517 Q CA 1.362 57.164 55.803 -0.002 0.000 0.863 517 Q CB -0.527 28.221 28.738 0.017 0.000 0.904 517 Q HN 0.491 nan 8.270 nan 0.000 0.422 518 K N 0.039 120.447 120.400 0.013 0.000 2.360 518 K HA -0.059 4.262 4.320 0.001 0.000 0.201 518 K C 1.749 178.369 176.600 0.034 0.000 1.046 518 K CA 0.868 57.171 56.287 0.026 0.000 0.945 518 K CB 0.099 32.603 32.500 0.006 0.000 0.750 518 K HN 0.157 nan 8.250 nan 0.000 0.464 519 A N 0.350 123.176 122.820 0.009 0.000 1.887 519 A HA 0.003 4.324 4.320 0.001 0.000 0.212 519 A C 1.822 179.503 177.584 0.162 0.000 1.198 519 A CA 0.488 52.549 52.037 0.039 0.000 0.628 519 A CB -0.276 18.764 19.000 0.067 0.000 0.847 519 A HN 0.187 nan 8.150 nan 0.000 0.449 520 L N 0.550 121.838 121.223 0.108 0.000 2.046 520 L HA -0.189 4.151 4.340 0.001 0.000 0.208 520 L C 2.018 178.974 176.870 0.143 0.000 1.077 520 L CA 1.909 56.814 54.840 0.108 0.000 0.747 520 L CB -0.701 41.395 42.059 0.062 0.000 0.896 520 L HN 0.332 nan 8.230 nan 0.000 0.432 521 D N -1.337 119.144 120.400 0.136 0.000 2.092 521 D HA -0.281 4.359 4.640 0.001 0.000 0.193 521 D C 1.908 178.318 176.300 0.183 0.000 0.994 521 D CA 1.422 55.502 54.000 0.133 0.000 0.828 521 D CB -0.354 40.511 40.800 0.109 0.000 0.963 521 D HN 0.467 nan 8.370 nan 0.000 0.450 522 W N 1.816 123.147 121.300 0.051 0.000 2.305 522 W HA -0.281 4.379 4.660 0.001 0.000 0.308 522 W C 2.158 178.769 176.519 0.154 0.000 1.226 522 W CA 1.642 59.037 57.345 0.083 0.000 1.253 522 W CB -0.373 29.069 29.460 -0.031 0.000 1.146 522 W HN -0.219 nan 8.180 nan 0.000 0.507 523 V N 0.832 120.903 119.914 0.262 0.000 2.223 523 V HA -0.338 3.783 4.120 0.001 0.000 0.244 523 V C 2.161 178.370 176.094 0.191 0.000 1.045 523 V CA 2.475 64.817 62.300 0.071 0.000 1.000 523 V CB -1.228 30.607 31.823 0.021 0.000 0.635 523 V HN 0.182 nan 8.190 nan 0.000 0.445 524 E N -0.198 120.137 120.200 0.225 0.000 2.171 524 E HA -0.314 4.037 4.350 0.001 0.000 0.197 524 E C 2.242 178.938 176.600 0.160 0.000 0.997 524 E CA 1.469 58.038 56.400 0.282 0.000 0.810 524 E CB -0.215 29.588 29.700 0.172 0.000 0.738 524 E HN 0.671 nan 8.360 nan 0.000 0.467 525 Q N -0.482 119.358 119.800 0.067 0.000 2.364 525 Q HA -0.128 4.213 4.340 0.001 0.000 0.207 525 Q C 0.824 176.671 176.000 -0.253 0.000 0.970 525 Q CA 0.876 56.624 55.803 -0.090 0.000 0.888 525 Q CB 0.087 28.741 28.738 -0.141 0.000 0.951 525 Q HN 0.433 nan 8.270 nan 0.000 0.469 526 H N -1.034 117.926 119.070 -0.183 0.000 2.672 526 H HA 0.147 4.704 4.556 0.001 0.000 0.277 526 H C -0.253 175.023 175.328 -0.085 0.000 1.074 526 H CA -0.228 55.718 56.048 -0.170 0.000 1.173 526 H CB 0.319 29.875 29.762 -0.343 0.000 1.558 526 H HN 0.105 nan 8.280 nan 0.000 0.539 527 Q N 2.077 121.824 119.800 -0.088 0.000 2.262 527 Q HA -0.007 4.334 4.340 0.001 0.000 0.272 527 Q C -0.225 175.472 176.000 -0.506 0.000 1.076 527 Q CA -0.386 54.935 55.803 -0.804 0.000 0.905 527 Q CB 0.406 28.647 28.738 -0.827 0.000 1.182 527 Q HN 0.353 nan 8.270 nan 0.000 0.390 528 N N 4.685 123.094 118.700 -0.485 0.000 2.267 528 N HA -0.028 4.713 4.740 0.001 0.000 0.226 528 N C -1.835 173.527 175.510 -0.246 0.000 1.314 528 N CA -0.883 52.002 53.050 -0.275 0.000 0.887 528 N CB 0.144 38.509 38.487 -0.203 0.000 1.120 528 N HN 0.509 nan 8.380 nan 0.000 0.440 529 P HA -0.128 nan 4.420 nan 0.000 0.215 529 P C 0.261 177.510 177.300 -0.084 0.000 1.157 529 P CA 1.384 64.419 63.100 -0.107 0.000 0.868 529 P CB -0.033 31.627 31.700 -0.067 0.000 0.788 530 D N -1.714 118.660 120.400 -0.042 0.000 2.403 530 D HA 0.006 4.647 4.640 0.001 0.000 0.227 530 D C 1.398 177.742 176.300 0.073 0.000 0.995 530 D CA 1.020 55.048 54.000 0.046 0.000 0.928 530 D CB -1.142 39.748 40.800 0.150 0.000 0.887 530 D HN 0.281 nan 8.370 nan 0.000 0.529 531 G N -1.505 107.230 108.800 -0.108 0.000 2.199 531 G HA2 -0.184 3.776 3.960 0.001 0.000 0.254 531 G HA3 -0.184 3.776 3.960 0.001 0.000 0.254 531 G C 0.592 175.232 174.900 -0.433 0.000 0.982 531 G CA 0.073 45.054 45.100 -0.199 0.000 0.632 531 G HN 0.868 nan 8.290 nan 0.000 0.529 532 G N -1.798 106.693 108.800 -0.515 0.000 2.753 532 G HA2 0.575 4.536 3.960 0.001 0.000 0.285 532 G HA3 0.575 4.536 3.960 0.001 0.000 0.285 532 G C -0.542 173.900 174.900 -0.764 0.000 1.344 532 G CA -0.741 43.847 45.100 -0.854 0.000 1.050 532 G HN 0.262 nan 8.290 nan 0.000 0.532 533 W N -1.068 120.010 121.300 -0.369 0.000 2.844 533 W HA 0.627 5.288 4.660 0.001 0.000 0.340 533 W C -0.090 176.325 176.519 -0.175 0.000 1.093 533 W CA -0.703 56.526 57.345 -0.194 0.000 1.212 533 W CB 2.399 31.789 29.460 -0.117 0.000 1.422 533 W HN 0.837 nan 8.180 nan 0.000 0.515 534 G N 1.389 110.267 108.800 0.131 0.000 2.746 534 G HA2 0.463 4.423 3.960 0.001 0.000 0.297 534 G HA3 0.463 4.423 3.960 0.001 0.000 0.297 534 G C -2.092 172.865 174.900 0.095 0.000 1.426 534 G CA -0.593 44.541 45.100 0.056 0.000 0.989 534 G HN 0.330 nan 8.290 nan 0.000 0.520 535 E N 1.407 121.657 120.200 0.084 0.000 2.283 535 E HA 0.341 4.691 4.350 0.001 0.000 0.258 535 E C -1.281 175.324 176.600 0.008 0.000 0.893 535 E CA -0.656 55.807 56.400 0.106 0.000 0.798 535 E CB 1.829 31.641 29.700 0.187 0.000 1.242 535 E HN 0.434 nan 8.360 nan 0.000 0.414 536 D N 2.379 122.745 120.400 -0.056 0.000 2.362 536 D HA 0.040 4.681 4.640 0.001 0.000 0.242 536 D C 0.535 176.706 176.300 -0.214 0.000 1.132 536 D CA -0.324 53.566 54.000 -0.184 0.000 0.907 536 D CB 0.939 41.544 40.800 -0.325 0.000 1.195 536 D HN 0.504 nan 8.370 nan 0.000 0.429 537 C N 2.204 121.282 119.300 -0.371 0.000 2.430 537 C HA -0.017 4.444 4.460 0.001 0.000 0.288 537 C C 2.226 177.001 174.990 -0.360 0.000 1.448 537 C CA 0.167 58.807 59.018 -0.630 0.000 1.784 537 C CB -1.215 25.416 27.740 -1.849 0.000 1.776 537 C HN 0.612 nan 8.230 nan 0.000 0.547 538 R N 1.414 121.759 120.500 -0.260 0.000 2.235 538 R HA -0.085 4.256 4.340 0.001 0.000 0.213 538 R C 2.221 178.573 176.300 0.086 0.000 1.059 538 R CA 1.417 57.463 56.100 -0.090 0.000 0.997 538 R CB -0.287 29.774 30.300 -0.398 0.000 0.884 538 R HN 0.712 nan 8.270 nan 0.000 0.462 539 S N -0.380 115.347 115.700 0.046 0.000 2.537 539 S HA -0.147 4.324 4.470 0.001 0.000 0.240 539 S C 1.258 175.900 174.600 0.070 0.000 0.981 539 S CA 0.812 59.093 58.200 0.136 0.000 0.948 539 S CB -0.250 63.010 63.200 0.101 0.000 0.759 539 S HN 0.346 nan 8.310 nan 0.000 0.531 540 Y N 1.222 121.650 120.300 0.212 0.000 2.476 540 Y HA 0.293 4.843 4.550 0.001 0.000 0.283 540 Y C 2.600 178.627 175.900 0.211 0.000 1.109 540 Y CA 0.519 58.767 58.100 0.247 0.000 1.246 540 Y CB 0.094 38.716 38.460 0.271 0.000 1.068 540 Y HN 0.242 nan 8.280 nan 0.000 0.552 541 E N -0.111 120.289 120.200 0.332 0.000 2.079 541 E HA -0.033 4.318 4.350 0.001 0.000 0.191 541 E C -0.115 176.619 176.600 0.223 0.000 0.961 541 E CA 0.722 57.278 56.400 0.259 0.000 0.823 541 E CB -0.092 29.759 29.700 0.252 0.000 0.789 541 E HN 0.247 nan 8.360 nan 0.000 0.459 542 D N 1.297 121.850 120.400 0.256 0.000 2.425 542 D HA 0.105 4.746 4.640 0.001 0.000 0.240 542 D C -1.783 174.656 176.300 0.232 0.000 1.080 542 D CA -2.284 51.858 54.000 0.238 0.000 0.836 542 D CB 1.814 42.787 40.800 0.289 0.000 1.125 542 D HN -0.237 nan 8.370 nan 0.000 0.525 543 P HA -0.179 nan 4.420 nan 0.000 0.221 543 P C 1.003 178.355 177.300 0.086 0.000 1.145 543 P CA 0.713 63.884 63.100 0.119 0.000 0.795 543 P CB 0.158 31.898 31.700 0.067 0.000 0.775 544 A N -1.433 121.409 122.820 0.037 0.000 2.178 544 A HA -0.147 4.173 4.320 0.001 0.000 0.218 544 A C 1.490 179.003 177.584 -0.120 0.000 1.157 544 A CA 0.886 52.879 52.037 -0.073 0.000 0.689 544 A CB -1.451 17.448 19.000 -0.169 0.000 0.787 544 A HN 0.152 nan 8.150 nan 0.000 0.465 545 Y N -0.525 119.827 120.300 0.085 0.000 2.468 545 Y HA 0.446 4.996 4.550 0.001 0.000 0.268 545 Y C 1.408 177.391 175.900 0.138 0.000 1.177 545 Y CA -0.499 57.658 58.100 0.094 0.000 1.265 545 Y CB -0.251 38.259 38.460 0.083 0.000 1.103 545 Y HN 0.283 nan 8.280 nan 0.000 0.522 546 A N 0.317 123.298 122.820 0.270 0.000 2.505 546 A HA 0.407 4.727 4.320 0.001 0.000 0.271 546 A C 1.582 179.370 177.584 0.340 0.000 1.112 546 A CA 0.806 53.011 52.037 0.281 0.000 0.781 546 A CB -1.005 18.002 19.000 0.013 0.000 1.059 546 A HN 0.882 nan 8.150 nan 0.000 0.508 547 G N 2.200 111.218 108.800 0.363 0.000 2.153 547 G HA2 -0.238 3.723 3.960 0.001 0.000 0.252 547 G HA3 -0.238 3.723 3.960 0.001 0.000 0.252 547 G C 0.099 175.170 174.900 0.284 0.000 0.994 547 G CA 0.833 46.075 45.100 0.237 0.000 0.698 547 G HN 0.823 nan 8.290 nan 0.000 0.521 548 K N -0.092 120.473 120.400 0.275 0.000 2.292 548 K HA 0.679 4.999 4.320 0.001 0.000 0.257 548 K C 0.294 177.026 176.600 0.221 0.000 0.940 548 K CA -0.060 56.365 56.287 0.229 0.000 0.811 548 K CB 2.131 34.761 32.500 0.217 0.000 1.120 548 K HN 0.988 nan 8.250 nan 0.000 0.428 549 G N 0.613 109.479 108.800 0.110 0.000 2.339 549 G HA2 0.347 4.308 3.960 0.001 0.000 0.302 549 G HA3 0.347 4.308 3.960 0.001 0.000 0.302 549 G C -1.628 173.231 174.900 -0.069 0.000 1.425 549 G CA -0.760 44.338 45.100 -0.003 0.000 0.899 549 G HN 0.606 nan 8.290 nan 0.000 0.619 550 A N 0.612 123.320 122.820 -0.187 0.000 2.524 550 A HA 0.583 4.903 4.320 0.001 0.000 0.250 550 A C 1.107 178.651 177.584 -0.067 0.000 1.078 550 A CA 0.779 52.745 52.037 -0.119 0.000 0.761 550 A CB -0.178 18.735 19.000 -0.144 0.000 1.012 550 A HN 1.703 nan 8.150 nan 0.000 0.500 551 S N 1.486 117.178 115.700 -0.013 0.000 2.552 551 S HA 0.360 4.831 4.470 0.001 0.000 0.289 551 S C 0.807 175.431 174.600 0.040 0.000 1.304 551 S CA 0.591 58.746 58.200 -0.075 0.000 1.063 551 S CB 0.148 63.181 63.200 -0.278 0.000 0.848 551 S HN 1.084 nan 8.310 nan 0.000 0.499 552 T N 0.428 114.967 114.554 -0.025 0.000 2.916 552 T HA 0.508 4.859 4.350 0.001 0.000 0.292 552 T C -2.600 172.062 174.700 -0.063 0.000 1.055 552 T CA -2.214 59.921 62.100 0.058 0.000 1.009 552 T CB 1.704 70.609 68.868 0.062 0.000 1.118 552 T HN 0.108 nan 8.240 nan 0.000 0.497 553 P HA -0.165 nan 4.420 nan 0.000 0.215 553 P C 1.972 179.035 177.300 -0.395 0.000 1.157 553 P CA 1.845 64.805 63.100 -0.233 0.000 0.868 553 P CB -0.039 31.469 31.700 -0.320 0.000 0.788 554 S N -0.400 115.043 115.700 -0.429 0.000 2.335 554 S HA -0.242 4.228 4.470 0.001 0.000 0.216 554 S C 2.075 175.923 174.600 -1.254 0.000 1.032 554 S CA 1.110 58.825 58.200 -0.807 0.000 1.000 554 S CB -1.647 61.092 63.200 -0.768 0.000 0.928 554 S HN 0.160 nan 8.310 nan 0.000 0.434 555 Q N 0.724 119.967 119.800 -0.930 0.000 2.197 555 Q HA -0.101 4.240 4.340 0.001 0.000 0.207 555 Q C 2.378 178.267 176.000 -0.185 0.000 0.984 555 Q CA 1.887 57.412 55.803 -0.464 0.000 0.869 555 Q CB -0.730 27.955 28.738 -0.087 0.000 0.906 555 Q HN 0.652 nan 8.270 nan 0.000 0.426 556 T N 0.744 115.184 114.554 -0.190 0.000 2.674 556 T HA -0.154 4.197 4.350 0.001 0.000 0.265 556 T C 1.935 176.586 174.700 -0.081 0.000 1.039 556 T CA 1.282 63.383 62.100 0.002 0.000 1.150 556 T CB -0.385 68.408 68.868 -0.125 0.000 0.864 556 T HN 0.436 nan 8.240 nan 0.000 0.427 557 A N 0.845 123.534 122.820 -0.218 0.000 1.986 557 A HA -0.141 4.180 4.320 0.001 0.000 0.220 557 A C 2.104 179.652 177.584 -0.060 0.000 1.171 557 A CA 1.404 53.340 52.037 -0.168 0.000 0.640 557 A CB -0.891 17.980 19.000 -0.215 0.000 0.811 557 A HN 0.582 nan 8.150 nan 0.000 0.451 558 W N -0.617 120.555 121.300 -0.215 0.000 2.378 558 W HA 0.035 4.695 4.660 0.001 0.000 0.313 558 W C 2.856 179.208 176.519 -0.278 0.000 1.197 558 W CA 0.694 57.891 57.345 -0.245 0.000 1.304 558 W CB -1.363 27.956 29.460 -0.235 0.000 1.148 558 W HN 0.407 nan 8.180 nan 0.000 0.494 559 A N -0.093 122.627 122.820 -0.167 0.000 1.972 559 A HA -0.144 4.176 4.320 0.001 0.000 0.219 559 A C 2.045 179.275 177.584 -0.590 0.000 1.169 559 A CA 1.489 53.181 52.037 -0.575 0.000 0.635 559 A CB -0.891 17.255 19.000 -1.423 0.000 0.810 559 A HN 0.197 nan 8.150 nan 0.000 0.446 560 L N -0.706 120.265 121.223 -0.420 0.000 2.046 560 L HA -0.111 4.230 4.340 0.001 0.000 0.208 560 L C 2.590 179.396 176.870 -0.106 0.000 1.077 560 L CA 1.950 56.656 54.840 -0.223 0.000 0.747 560 L CB -0.407 41.598 42.059 -0.089 0.000 0.896 560 L HN 0.425 nan 8.230 nan 0.000 0.432 561 M N -1.662 117.903 119.600 -0.058 0.000 2.213 561 M HA -0.177 4.303 4.480 0.001 0.000 0.263 561 M C 2.223 178.502 176.300 -0.034 0.000 1.062 561 M CA 1.562 56.857 55.300 -0.009 0.000 1.105 561 M CB -0.481 32.140 32.600 0.036 0.000 1.385 561 M HN 0.394 nan 8.290 nan 0.000 0.417 562 A N 0.447 123.221 122.820 -0.075 0.000 1.930 562 A HA -0.099 4.222 4.320 0.001 0.000 0.217 562 A C 2.075 179.633 177.584 -0.044 0.000 1.175 562 A CA 1.283 53.281 52.037 -0.065 0.000 0.627 562 A CB -0.739 18.218 19.000 -0.072 0.000 0.815 562 A HN 0.442 nan 8.150 nan 0.000 0.443 563 L N -0.604 120.582 121.223 -0.061 0.000 2.044 563 L HA -0.107 4.233 4.340 0.001 0.000 0.205 563 L C 2.451 179.338 176.870 0.028 0.000 1.075 563 L CA 1.076 55.910 54.840 -0.011 0.000 0.747 563 L CB -0.482 41.572 42.059 -0.008 0.000 0.903 563 L HN 0.355 nan 8.230 nan 0.000 0.435 564 I N 0.018 120.610 120.570 0.037 0.000 2.226 564 I HA -0.285 3.886 4.170 0.001 0.000 0.245 564 I C 2.764 178.904 176.117 0.038 0.000 1.100 564 I CA 1.229 62.571 61.300 0.069 0.000 1.374 564 I CB -0.499 37.554 38.000 0.090 0.000 1.057 564 I HN 0.210 nan 8.210 nan 0.000 0.413 565 A N 0.879 123.707 122.820 0.014 0.000 1.897 565 A HA -0.036 4.285 4.320 0.001 0.000 0.215 565 A C 2.362 179.943 177.584 -0.004 0.000 1.181 565 A CA 1.560 53.596 52.037 -0.001 0.000 0.620 565 A CB -1.230 17.757 19.000 -0.022 0.000 0.821 565 A HN 0.447 nan 8.150 nan 0.000 0.443 566 G N -1.983 106.815 108.800 -0.003 0.000 2.776 566 G HA2 0.307 4.268 3.960 0.001 0.000 0.209 566 G HA3 0.307 4.268 3.960 0.001 0.000 0.209 566 G C 1.220 176.127 174.900 0.012 0.000 1.145 566 G CA 0.820 45.918 45.100 -0.002 0.000 0.791 566 G HN 1.662 nan 8.290 nan 0.000 0.530 567 G N 0.057 108.871 108.800 0.022 0.000 2.234 567 G HA2 -0.268 3.693 3.960 0.001 0.000 0.235 567 G HA3 -0.268 3.693 3.960 0.001 0.000 0.235 567 G C 1.083 176.009 174.900 0.045 0.000 0.997 567 G CA 0.208 45.326 45.100 0.030 0.000 0.623 567 G HN 0.524 nan 8.290 nan 0.000 0.514 568 R N 1.002 121.533 120.500 0.052 0.000 2.535 568 R HA 0.497 4.838 4.340 0.001 0.000 0.233 568 R C 2.477 178.838 176.300 0.100 0.000 1.202 568 R CA 0.577 56.720 56.100 0.070 0.000 1.205 568 R CB -0.155 30.187 30.300 0.069 0.000 1.153 568 R HN 0.491 nan 8.270 nan 0.000 0.512 569 A N 1.591 124.475 122.820 0.106 0.000 1.892 569 A HA -0.217 4.104 4.320 0.001 0.000 0.218 569 A C 1.517 179.243 177.584 0.236 0.000 1.188 569 A CA 1.155 53.298 52.037 0.176 0.000 0.631 569 A CB -0.147 18.931 19.000 0.130 0.000 0.822 569 A HN 0.392 nan 8.150 nan 0.000 0.447 570 E N 0.412 120.700 120.200 0.147 0.000 2.392 570 E HA 0.295 4.646 4.350 0.001 0.000 0.307 570 E C -0.101 176.577 176.600 0.129 0.000 1.505 570 E CA -0.182 56.303 56.400 0.142 0.000 1.716 570 E CB -0.220 29.526 29.700 0.077 0.000 1.450 570 E HN 0.435 nan 8.360 nan 0.000 0.484 571 S N 0.367 116.156 115.700 0.149 0.000 2.759 571 S HA 0.202 4.672 4.470 0.001 0.000 0.310 571 S C 0.812 175.483 174.600 0.118 0.000 1.123 571 S CA -0.633 57.638 58.200 0.118 0.000 0.959 571 S CB 1.613 64.882 63.200 0.115 0.000 1.172 571 S HN 0.378 nan 8.310 nan 0.000 0.539 572 E N 1.486 121.741 120.200 0.093 0.000 2.008 572 E HA 0.134 4.485 4.350 0.001 0.000 0.191 572 E C 2.065 178.712 176.600 0.078 0.000 0.986 572 E CA 2.034 58.479 56.400 0.074 0.000 0.807 572 E CB -0.966 28.764 29.700 0.050 0.000 0.766 572 E HN 0.674 nan 8.360 nan 0.000 0.450 573 A N 1.123 123.997 122.820 0.091 0.000 1.958 573 A HA -0.207 4.114 4.320 0.001 0.000 0.221 573 A C 2.400 180.111 177.584 0.212 0.000 1.178 573 A CA 2.669 54.780 52.037 0.122 0.000 0.642 573 A CB -1.217 17.911 19.000 0.213 0.000 0.816 573 A HN 0.414 nan 8.150 nan 0.000 0.453 574 A N -0.396 122.542 122.820 0.197 0.000 1.828 574 A HA -0.169 4.151 4.320 0.001 0.000 0.215 574 A C 2.245 179.858 177.584 0.049 0.000 1.203 574 A CA 1.849 53.985 52.037 0.166 0.000 0.614 574 A CB -0.625 18.474 19.000 0.166 0.000 0.844 574 A HN 0.543 nan 8.150 nan 0.000 0.445 575 R N -0.907 119.636 120.500 0.072 0.000 2.159 575 R HA -0.140 4.200 4.340 0.001 0.000 0.237 575 R C 2.335 178.646 176.300 0.019 0.000 1.131 575 R CA 1.148 57.274 56.100 0.043 0.000 0.982 575 R CB -0.187 30.205 30.300 0.154 0.000 0.868 575 R HN 0.388 nan 8.270 nan 0.000 0.453 576 R N -0.352 120.165 120.500 0.029 0.000 2.080 576 R HA -0.091 4.249 4.340 0.001 0.000 0.236 576 R C 2.274 178.568 176.300 -0.010 0.000 1.137 576 R CA 1.694 57.791 56.100 -0.005 0.000 0.943 576 R CB -1.049 29.217 30.300 -0.057 0.000 0.846 576 R HN 0.431 nan 8.270 nan 0.000 0.431 577 G N 0.619 109.417 108.800 -0.003 0.000 2.446 577 G HA2 -0.217 3.744 3.960 0.001 0.000 0.217 577 G HA3 -0.217 3.744 3.960 0.001 0.000 0.217 577 G C 1.593 176.548 174.900 0.091 0.000 1.168 577 G CA 1.055 46.193 45.100 0.063 0.000 0.771 577 G HN 0.185 nan 8.290 nan 0.000 0.551 578 V N 0.736 120.631 119.914 -0.032 0.000 2.380 578 V HA -0.290 3.830 4.120 0.001 0.000 0.251 578 V C 2.775 178.912 176.094 0.072 0.000 1.063 578 V CA 2.361 64.606 62.300 -0.092 0.000 1.055 578 V CB -0.614 30.980 31.823 -0.383 0.000 0.657 578 V HN 0.420 nan 8.190 nan 0.000 0.455 579 Q N -0.425 119.424 119.800 0.083 0.000 2.050 579 Q HA -0.238 4.102 4.340 0.001 0.000 0.202 579 Q C 2.052 178.135 176.000 0.138 0.000 0.980 579 Q CA 2.159 58.026 55.803 0.107 0.000 0.840 579 Q CB -0.704 28.079 28.738 0.075 0.000 0.898 579 Q HN 0.725 nan 8.270 nan 0.000 0.424 580 Y N 0.309 120.627 120.300 0.031 0.000 2.053 580 Y HA -0.277 4.274 4.550 0.001 0.000 0.277 580 Y C 1.758 177.743 175.900 0.142 0.000 1.159 580 Y CA 2.214 60.344 58.100 0.050 0.000 1.125 580 Y CB -0.471 37.991 38.460 0.003 0.000 0.969 580 Y HN 0.170 nan 8.280 nan 0.000 0.492 581 L N -1.050 120.453 121.223 0.467 0.000 2.012 581 L HA -0.264 4.076 4.340 0.001 0.000 0.210 581 L C 2.393 179.584 176.870 0.536 0.000 1.073 581 L CA 1.450 56.603 54.840 0.523 0.000 0.748 581 L CB -1.036 41.203 42.059 0.300 0.000 0.891 581 L HN 0.150 nan 8.230 nan 0.000 0.431 582 V N -0.145 119.960 119.914 0.319 0.000 2.392 582 V HA -0.269 3.852 4.120 0.001 0.000 0.249 582 V C 2.374 178.512 176.094 0.073 0.000 1.059 582 V CA 1.848 64.273 62.300 0.209 0.000 1.051 582 V CB -0.503 31.426 31.823 0.177 0.000 0.658 582 V HN 0.485 nan 8.190 nan 0.000 0.455 583 E N 0.426 120.644 120.200 0.030 0.000 2.021 583 E HA -0.143 4.207 4.350 0.001 0.000 0.189 583 E C 2.288 178.819 176.600 -0.116 0.000 0.980 583 E CA 1.574 57.938 56.400 -0.060 0.000 0.803 583 E CB -0.497 29.149 29.700 -0.088 0.000 0.766 583 E HN 0.739 nan 8.360 nan 0.000 0.449 584 T N -0.254 114.205 114.554 -0.158 0.000 2.996 584 T HA -0.218 4.132 4.350 0.001 0.000 0.271 584 T C 1.043 175.651 174.700 -0.154 0.000 1.126 584 T CA 0.478 62.489 62.100 -0.148 0.000 1.103 584 T CB -0.229 68.493 68.868 -0.244 0.000 0.870 584 T HN 0.068 nan 8.240 nan 0.000 0.528 585 Q N 1.104 120.713 119.800 -0.318 0.000 2.432 585 Q HA 0.123 4.463 4.340 0.001 0.000 0.264 585 Q C -0.008 175.657 176.000 -0.559 0.000 1.035 585 Q CA -0.343 54.900 55.803 -0.933 0.000 0.908 585 Q CB 0.568 28.730 28.738 -0.960 0.000 1.280 585 Q HN 0.478 nan 8.270 nan 0.000 0.455 586 R N 2.877 123.023 120.500 -0.591 0.000 2.541 586 R HA 0.185 4.526 4.340 0.001 0.000 0.263 586 R C -1.707 174.406 176.300 -0.312 0.000 1.112 586 R CA -1.726 54.161 56.100 -0.355 0.000 1.170 586 R CB 0.070 30.187 30.300 -0.305 0.000 1.167 586 R HN 0.569 nan 8.270 nan 0.000 0.582 587 P HA -0.147 nan 4.420 nan 0.000 0.218 587 P C 0.161 177.363 177.300 -0.164 0.000 1.149 587 P CA 1.290 64.293 63.100 -0.161 0.000 0.817 587 P CB 0.102 31.736 31.700 -0.112 0.000 0.785 588 D N -2.001 118.282 120.400 -0.196 0.000 2.312 588 D HA 0.037 4.678 4.640 0.001 0.000 0.211 588 D C 1.449 177.606 176.300 -0.237 0.000 0.964 588 D CA 1.144 55.041 54.000 -0.171 0.000 0.877 588 D CB -0.896 39.809 40.800 -0.159 0.000 0.924 588 D HN 0.229 nan 8.370 nan 0.000 0.515 589 G N -1.276 107.299 108.800 -0.374 0.000 2.184 589 G HA2 -0.109 3.852 3.960 0.001 0.000 0.206 589 G HA3 -0.109 3.852 3.960 0.001 0.000 0.206 589 G C 0.644 175.187 174.900 -0.594 0.000 0.995 589 G CA -0.014 44.856 45.100 -0.383 0.000 0.651 589 G HN 0.770 nan 8.290 nan 0.000 0.511 590 G N -1.593 106.694 108.800 -0.856 0.000 2.531 590 G HA2 0.551 4.512 3.960 0.001 0.000 0.253 590 G HA3 0.551 4.512 3.960 0.001 0.000 0.253 590 G C -0.326 174.402 174.900 -0.286 0.000 1.439 590 G CA -0.303 44.397 45.100 -0.666 0.000 1.056 590 G HN 0.384 nan 8.290 nan 0.000 0.555 591 W N -1.601 119.766 121.300 0.111 0.000 3.146 591 W HA 0.343 5.004 4.660 0.001 0.000 0.319 591 W C -1.434 175.093 176.519 0.014 0.000 1.258 591 W CA -0.460 56.906 57.345 0.035 0.000 1.189 591 W CB 2.039 31.516 29.460 0.028 0.000 1.412 591 W HN 0.386 nan 8.180 nan 0.000 0.567 592 D N 0.972 121.534 120.400 0.269 0.000 2.299 592 D HA 0.395 5.036 4.640 0.001 0.000 0.243 592 D C -1.069 175.315 176.300 0.140 0.000 0.982 592 D CA -0.336 53.754 54.000 0.150 0.000 0.924 592 D CB 2.452 43.308 40.800 0.094 0.000 1.238 592 D HN 0.315 nan 8.370 nan 0.000 0.484 593 E N 1.041 121.294 120.200 0.088 0.000 2.712 593 E HA 0.125 4.476 4.350 0.001 0.000 0.372 593 E C -2.273 174.353 176.600 0.043 0.000 1.058 593 E CA -0.984 55.474 56.400 0.097 0.000 0.747 593 E CB 1.350 31.110 29.700 0.100 0.000 1.596 593 E HN 0.085 nan 8.360 nan 0.000 0.380 594 P HA 0.022 nan 4.420 nan 0.000 0.252 594 P C -0.764 176.264 177.300 -0.453 0.000 1.265 594 P CA 0.322 63.243 63.100 -0.298 0.000 0.775 594 P CB -0.199 31.230 31.700 -0.450 0.000 1.128 595 Y N -1.175 119.192 120.300 0.112 0.000 2.536 595 Y HA 0.394 4.945 4.550 0.001 0.000 0.347 595 Y C 0.511 176.578 175.900 0.278 0.000 1.000 595 Y CA -1.420 56.751 58.100 0.119 0.000 1.051 595 Y CB 0.754 39.265 38.460 0.085 0.000 1.259 595 Y HN -0.209 nan 8.280 nan 0.000 0.468 596 Y N 0.758 121.208 120.300 0.250 0.000 2.319 596 Y HA 0.263 4.813 4.550 0.001 0.000 0.328 596 Y C 1.162 177.141 175.900 0.132 0.000 1.133 596 Y CA -0.860 57.333 58.100 0.155 0.000 1.265 596 Y CB 1.124 39.656 38.460 0.121 0.000 1.218 596 Y HN 0.681 nan 8.280 nan 0.000 0.508 597 T N -1.683 113.047 114.554 0.294 0.000 3.111 597 T HA 0.384 4.735 4.350 0.001 0.000 0.284 597 T C 0.463 175.339 174.700 0.293 0.000 0.983 597 T CA -0.053 62.219 62.100 0.287 0.000 0.900 597 T CB -0.049 68.963 68.868 0.239 0.000 1.132 597 T HN 0.666 nan 8.240 nan 0.000 0.531 598 G N 0.577 109.501 108.800 0.207 0.000 2.388 598 G HA2 0.558 4.519 3.960 0.001 0.000 0.330 598 G HA3 0.558 4.519 3.960 0.001 0.000 0.330 598 G C -0.983 173.991 174.900 0.124 0.000 1.142 598 G CA -0.532 44.655 45.100 0.145 0.000 0.908 598 G HN 0.194 nan 8.290 nan 0.000 0.473 599 T N 1.109 115.673 114.554 0.017 0.000 2.792 599 T HA 0.526 4.876 4.350 0.001 0.000 0.280 599 T C 1.157 175.713 174.700 -0.240 0.000 0.990 599 T CA 0.204 62.240 62.100 -0.107 0.000 0.960 599 T CB 1.854 70.575 68.868 -0.245 0.000 0.939 599 T HN 0.602 nan 8.240 nan 0.000 0.439 600 G N 1.651 110.218 108.800 -0.388 0.000 2.570 600 G HA2 0.288 4.248 3.960 0.001 0.000 0.209 600 G HA3 0.288 4.248 3.960 0.001 0.000 0.209 600 G C -0.318 174.032 174.900 -0.916 0.000 1.168 600 G CA 0.146 44.939 45.100 -0.513 0.000 0.831 600 G HN 0.554 nan 8.290 nan 0.000 0.564 601 F N 0.817 120.484 119.950 -0.471 0.000 2.671 601 F HA 0.440 4.967 4.527 0.001 0.000 0.332 601 F C -2.546 172.859 175.800 -0.659 0.000 1.189 601 F CA -3.139 54.541 58.000 -0.534 0.000 0.988 601 F CB 2.079 40.803 39.000 -0.458 0.000 1.258 601 F HN -0.164 nan 8.300 nan 0.000 0.471 602 P HA 0.088 nan 4.420 nan 0.000 0.255 602 P C 0.903 178.033 177.300 -0.283 0.000 1.161 602 P CA 1.668 64.445 63.100 -0.539 0.000 0.768 602 P CB 0.313 31.994 31.700 -0.032 0.000 0.746 603 G N 3.136 111.798 108.800 -0.230 0.000 2.184 603 G HA2 -0.266 3.695 3.960 0.001 0.000 0.264 603 G HA3 -0.266 3.695 3.960 0.001 0.000 0.264 603 G C 0.729 175.589 174.900 -0.066 0.000 0.975 603 G CA 0.449 45.581 45.100 0.053 0.000 0.642 603 G HN 0.499 nan 8.290 nan 0.000 0.536 604 D N -1.855 118.354 120.400 -0.318 0.000 2.434 604 D HA 0.281 4.921 4.640 0.001 0.000 0.288 604 D C -0.090 176.169 176.300 -0.069 0.000 1.083 604 D CA 0.303 54.153 54.000 -0.249 0.000 0.903 604 D CB 0.673 41.086 40.800 -0.644 0.000 1.476 604 D HN 0.266 nan 8.370 nan 0.000 0.502 605 F N 1.267 120.927 119.950 -0.485 0.000 2.585 605 F HA 0.391 4.919 4.527 0.001 0.000 0.319 605 F C -1.767 173.683 175.800 -0.582 0.000 1.165 605 F CA -0.893 56.949 58.000 -0.263 0.000 0.949 605 F CB 1.074 40.066 39.000 -0.014 0.000 1.218 605 F HN -0.308 nan 8.300 nan 0.000 0.453 606 Y N 5.331 125.368 120.300 -0.438 0.000 2.524 606 Y HA 0.756 5.307 4.550 0.001 0.000 0.344 606 Y C -0.741 174.858 175.900 -0.502 0.000 1.012 606 Y CA -1.074 56.829 58.100 -0.327 0.000 1.068 606 Y CB 1.883 40.333 38.460 -0.018 0.000 1.249 606 Y HN 0.428 nan 8.280 nan 0.000 0.468 607 L N 1.043 122.117 121.223 -0.248 0.000 2.341 607 L HA 0.843 5.183 4.340 0.001 0.000 0.267 607 L C 0.164 176.556 176.870 -0.796 0.000 1.009 607 L CA -1.115 53.411 54.840 -0.523 0.000 0.819 607 L CB 2.219 44.099 42.059 -0.298 0.000 1.323 607 L HN 0.847 nan 8.230 nan 0.000 0.425 608 G N 0.522 108.672 108.800 -1.084 0.000 2.671 608 G HA2 0.458 4.418 3.960 0.001 0.000 0.318 608 G HA3 0.458 4.418 3.960 0.001 0.000 0.318 608 G C -1.357 173.296 174.900 -0.410 0.000 1.250 608 G CA -0.191 44.400 45.100 -0.849 0.000 1.028 608 G HN 0.292 nan 8.290 nan 0.000 0.501 609 Y N 2.298 122.343 120.300 -0.425 0.000 2.539 609 Y HA 0.164 4.715 4.550 0.001 0.000 0.352 609 Y C 2.061 177.825 175.900 -0.227 0.000 1.004 609 Y CA -0.111 57.715 58.100 -0.455 0.000 1.278 609 Y CB 1.232 38.928 38.460 -1.273 0.000 1.136 609 Y HN 0.507 nan 8.280 nan 0.000 0.528 610 T N 2.687 117.239 114.554 -0.003 0.000 2.803 610 T HA -0.160 4.190 4.350 0.001 0.000 0.269 610 T C 1.905 176.703 174.700 0.164 0.000 1.052 610 T CA 1.289 63.431 62.100 0.070 0.000 1.136 610 T CB -0.045 68.849 68.868 0.044 0.000 0.864 610 T HN 0.534 nan 8.240 nan 0.000 0.467 611 M N -0.350 119.397 119.600 0.245 0.000 2.447 611 M HA 0.120 4.601 4.480 0.001 0.000 0.264 611 M C 1.704 178.192 176.300 0.313 0.000 1.095 611 M CA 0.714 56.194 55.300 0.301 0.000 1.125 611 M CB -0.942 31.807 32.600 0.248 0.000 1.389 611 M HN 0.223 nan 8.290 nan 0.000 0.459 612 Y N 1.910 122.310 120.300 0.168 0.000 2.102 612 Y HA -0.276 4.275 4.550 0.001 0.000 0.280 612 Y C 2.557 178.488 175.900 0.050 0.000 1.178 612 Y CA 1.882 60.124 58.100 0.236 0.000 1.146 612 Y CB -1.248 37.412 38.460 0.335 0.000 0.968 612 Y HN 0.396 nan 8.280 nan 0.000 0.504 613 R N -0.630 119.914 120.500 0.072 0.000 2.200 613 R HA -0.179 4.161 4.340 0.001 0.000 0.234 613 R C 1.283 177.487 176.300 -0.160 0.000 1.127 613 R CA 1.966 57.979 56.100 -0.145 0.000 0.989 613 R CB -0.690 29.467 30.300 -0.238 0.000 0.869 613 R HN 0.436 nan 8.270 nan 0.000 0.459 614 H N -0.117 119.068 119.070 0.192 0.000 2.481 614 H HA 0.163 4.719 4.556 0.001 0.000 0.291 614 H C 2.372 177.730 175.328 0.050 0.000 1.009 614 H CA 0.801 56.995 56.048 0.243 0.000 1.282 614 H CB -0.041 29.918 29.762 0.327 0.000 1.457 614 H HN 0.008 nan 8.280 nan 0.000 0.525 615 V N 1.293 121.216 119.914 0.015 0.000 2.244 615 V HA -0.212 3.909 4.120 0.001 0.000 0.244 615 V C 2.301 178.196 176.094 -0.330 0.000 1.042 615 V CA 1.763 63.902 62.300 -0.268 0.000 1.006 615 V CB -0.867 30.642 31.823 -0.522 0.000 0.641 615 V HN 0.089 nan 8.190 nan 0.000 0.446 616 F N 0.223 120.056 119.950 -0.195 0.000 2.126 616 F HA -0.059 4.468 4.527 0.001 0.000 0.299 616 F C 0.107 175.741 175.800 -0.275 0.000 1.096 616 F CA 1.670 59.532 58.000 -0.232 0.000 1.255 616 F CB -2.278 36.532 39.000 -0.317 0.000 0.997 616 F HN 0.270 nan 8.300 nan 0.000 0.479 617 P HA -0.118 nan 4.420 nan 0.000 0.215 617 P C 1.639 178.800 177.300 -0.232 0.000 1.153 617 P CA 2.119 64.936 63.100 -0.471 0.000 0.853 617 P CB -0.201 30.738 31.700 -1.267 0.000 0.788 618 T N -0.171 114.317 114.554 -0.111 0.000 2.777 618 T HA -0.133 4.218 4.350 0.001 0.000 0.266 618 T C 1.671 176.352 174.700 -0.032 0.000 1.040 618 T CA 0.973 63.079 62.100 0.010 0.000 1.141 618 T CB -0.914 67.968 68.868 0.022 0.000 0.868 618 T HN 0.007 nan 8.240 nan 0.000 0.444 619 L N 1.392 122.568 121.223 -0.079 0.000 2.046 619 L HA 0.113 4.453 4.340 0.001 0.000 0.208 619 L C 2.572 179.440 176.870 -0.002 0.000 1.077 619 L CA 1.777 56.578 54.840 -0.064 0.000 0.747 619 L CB -0.989 41.017 42.059 -0.088 0.000 0.896 619 L HN 0.209 nan 8.230 nan 0.000 0.432 620 A N -0.328 122.495 122.820 0.006 0.000 1.877 620 A HA -0.167 4.153 4.320 0.001 0.000 0.216 620 A C 2.233 179.825 177.584 0.013 0.000 1.186 620 A CA 2.067 54.109 52.037 0.009 0.000 0.620 620 A CB -0.929 18.050 19.000 -0.034 0.000 0.822 620 A HN 0.501 nan 8.150 nan 0.000 0.443 621 L N -0.733 120.491 121.223 0.003 0.000 2.017 621 L HA -0.110 4.230 4.340 0.001 0.000 0.208 621 L C 2.866 179.752 176.870 0.026 0.000 1.073 621 L CA 1.127 55.978 54.840 0.019 0.000 0.745 621 L CB -1.111 40.992 42.059 0.074 0.000 0.894 621 L HN 0.485 nan 8.230 nan 0.000 0.432 622 G N -0.021 108.796 108.800 0.029 0.000 2.475 622 G HA2 -0.263 3.698 3.960 0.001 0.000 0.220 622 G HA3 -0.263 3.698 3.960 0.001 0.000 0.220 622 G C 1.796 176.708 174.900 0.020 0.000 1.125 622 G CA 0.643 45.757 45.100 0.023 0.000 0.755 622 G HN 0.327 nan 8.290 nan 0.000 0.565 623 R N -1.575 118.944 120.500 0.032 0.000 2.161 623 R HA 0.084 4.425 4.340 0.001 0.000 0.213 623 R C 2.165 178.495 176.300 0.051 0.000 1.055 623 R CA 0.467 56.591 56.100 0.040 0.000 0.996 623 R CB -0.268 30.063 30.300 0.053 0.000 0.901 623 R HN 0.460 nan 8.270 nan 0.000 0.456 624 Y N 1.781 122.023 120.300 -0.097 0.000 2.373 624 Y HA -0.079 4.472 4.550 0.001 0.000 0.293 624 Y C 2.002 177.795 175.900 -0.179 0.000 1.129 624 Y CA 1.183 59.198 58.100 -0.142 0.000 1.226 624 Y CB 0.121 38.451 38.460 -0.215 0.000 1.000 624 Y HN -0.200 nan 8.280 nan 0.000 0.549 625 K N -0.578 119.727 120.400 -0.159 0.000 2.365 625 K HA -0.085 4.236 4.320 0.001 0.000 0.197 625 K C 1.693 178.258 176.600 -0.059 0.000 1.042 625 K CA 0.665 56.878 56.287 -0.124 0.000 0.987 625 K CB 0.206 32.715 32.500 0.015 0.000 0.779 625 K HN 0.300 nan 8.250 nan 0.000 0.484 626 Q N -0.519 119.250 119.800 -0.052 0.000 2.212 626 Q HA 0.049 4.390 4.340 0.001 0.000 0.199 626 Q C 1.775 177.745 176.000 -0.050 0.000 0.950 626 Q CA 0.971 56.758 55.803 -0.026 0.000 0.863 626 Q CB 0.133 28.870 28.738 -0.002 0.000 0.944 626 Q HN 0.295 nan 8.270 nan 0.000 0.465 627 A N -0.116 122.647 122.820 -0.095 0.000 2.248 627 A HA -0.009 4.312 4.320 0.001 0.000 0.210 627 A C 1.404 178.908 177.584 -0.134 0.000 1.174 627 A CA 0.839 52.812 52.037 -0.107 0.000 0.750 627 A CB -0.114 18.813 19.000 -0.122 0.000 0.780 627 A HN 0.217 nan 8.150 nan 0.000 0.478 628 I N -2.566 117.926 120.570 -0.129 0.000 3.620 628 I HA 0.492 4.662 4.170 0.001 0.000 0.255 628 I C 0.884 176.985 176.117 -0.026 0.000 1.124 628 I CA 1.489 62.738 61.300 -0.085 0.000 1.526 628 I CB 0.251 38.191 38.000 -0.099 0.000 1.681 628 I HN 0.277 nan 8.210 nan 0.000 0.420 629 E N 0.000 120.197 120.200 -0.005 0.000 2.725 629 E HA 0.000 4.351 4.350 0.001 0.000 0.291 629 E CA 0.000 nan 56.400 nan 0.000 0.976 629 E CB 0.000 nan 29.700 nan 0.000 0.812 629 E HN 0.000 nan 8.360 nan 0.000 0.440