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 1ump_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 0.000 177.674 177.584 0.151 0.000 1.274 10 A CA 0.000 52.104 52.037 0.112 0.000 0.836 10 A CB 0.000 19.152 19.000 0.253 0.000 0.831 11 Y N -2.262 118.098 120.300 0.100 0.000 2.540 11 Y HA 0.745 5.296 4.550 0.001 0.000 0.257 11 Y C 1.843 177.802 175.900 0.099 0.000 1.090 11 Y CA 0.593 58.757 58.100 0.108 0.000 1.242 11 Y CB -0.283 38.269 38.460 0.152 0.000 1.325 11 Y HN 0.328 nan 8.280 nan 0.000 0.544 12 A N 1.996 124.577 122.820 -0.399 0.000 1.883 12 A HA -0.184 4.136 4.320 0.001 0.000 0.217 12 A C 2.368 179.938 177.584 -0.024 0.000 1.186 12 A CA 2.022 53.927 52.037 -0.219 0.000 0.624 12 A CB -0.693 18.143 19.000 -0.274 0.000 0.822 12 A HN 0.500 nan 8.150 nan 0.000 0.444 13 R N -0.983 119.499 120.500 -0.029 0.000 2.092 13 R HA -0.101 4.240 4.340 0.001 0.000 0.231 13 R C 2.205 178.520 176.300 0.026 0.000 1.119 13 R CA 1.824 57.920 56.100 -0.005 0.000 0.970 13 R CB -0.522 29.765 30.300 -0.021 0.000 0.864 13 R HN 0.536 nan 8.270 nan 0.000 0.440 14 T N 1.738 116.329 114.554 0.062 0.000 2.635 14 T HA -0.200 4.151 4.350 0.001 0.000 0.267 14 T C 1.750 176.543 174.700 0.156 0.000 1.040 14 T CA 1.348 63.508 62.100 0.100 0.000 1.156 14 T CB -0.226 68.755 68.868 0.189 0.000 0.863 14 T HN 0.188 nan 8.240 nan 0.000 0.430 15 L N 0.821 122.168 121.223 0.207 0.000 2.017 15 L HA -0.154 4.187 4.340 0.001 0.000 0.208 15 L C 2.363 179.311 176.870 0.130 0.000 1.073 15 L CA 1.721 56.685 54.840 0.207 0.000 0.745 15 L CB -0.547 41.662 42.059 0.250 0.000 0.894 15 L HN 0.243 nan 8.230 nan 0.000 0.432 16 D N -0.305 120.148 120.400 0.088 0.000 2.123 16 D HA -0.202 4.438 4.640 0.001 0.000 0.196 16 D C 2.261 178.591 176.300 0.049 0.000 0.992 16 D CA 1.227 55.260 54.000 0.055 0.000 0.833 16 D CB -0.136 40.682 40.800 0.030 0.000 0.954 16 D HN 0.295 nan 8.370 nan 0.000 0.455 17 R N 0.425 120.946 120.500 0.035 0.000 2.092 17 R HA 0.052 4.393 4.340 0.001 0.000 0.231 17 R C 2.268 178.597 176.300 0.049 0.000 1.119 17 R CA 1.030 57.138 56.100 0.012 0.000 0.970 17 R CB -0.152 30.116 30.300 -0.052 0.000 0.864 17 R HN 0.102 nan 8.270 nan 0.000 0.440 18 A N 0.596 123.469 122.820 0.088 0.000 1.898 18 A HA -0.093 4.227 4.320 0.001 0.000 0.216 18 A C 2.303 179.996 177.584 0.181 0.000 1.181 18 A CA 1.154 53.305 52.037 0.191 0.000 0.620 18 A CB -0.471 18.749 19.000 0.366 0.000 0.819 18 A HN 0.097 nan 8.150 nan 0.000 0.442 19 V N 0.233 120.216 119.914 0.115 0.000 2.255 19 V HA -0.307 3.813 4.120 0.001 0.000 0.247 19 V C 2.434 178.564 176.094 0.060 0.000 1.051 19 V CA 2.465 64.802 62.300 0.061 0.000 1.018 19 V CB -0.916 30.922 31.823 0.026 0.000 0.641 19 V HN 0.670 nan 8.190 nan 0.000 0.445 20 E N -1.113 119.125 120.200 0.063 0.000 2.085 20 E HA -0.277 4.073 4.350 0.001 0.000 0.194 20 E C 2.086 178.721 176.600 0.058 0.000 0.994 20 E CA 1.893 58.323 56.400 0.050 0.000 0.801 20 E CB -0.283 29.443 29.700 0.044 0.000 0.743 20 E HN 0.758 nan 8.360 nan 0.000 0.453 21 Y N 1.055 121.345 120.300 -0.016 0.000 2.184 21 Y HA -0.136 4.415 4.550 0.001 0.000 0.290 21 Y C 2.005 177.899 175.900 -0.010 0.000 1.129 21 Y CA 1.164 59.237 58.100 -0.044 0.000 1.144 21 Y CB -0.134 38.274 38.460 -0.087 0.000 0.995 21 Y HN -0.036 nan 8.280 nan 0.000 0.513 22 L N -0.409 120.867 121.223 0.088 0.000 2.012 22 L HA -0.290 4.051 4.340 0.001 0.000 0.210 22 L C 2.388 179.379 176.870 0.203 0.000 1.073 22 L CA 1.622 56.519 54.840 0.094 0.000 0.748 22 L CB -0.600 41.490 42.059 0.052 0.000 0.891 22 L HN 0.347 nan 8.230 nan 0.000 0.431 23 L N -0.625 120.672 121.223 0.123 0.000 2.079 23 L HA -0.229 4.112 4.340 0.001 0.000 0.210 23 L C 2.788 179.620 176.870 -0.063 0.000 1.081 23 L CA 1.564 56.464 54.840 0.100 0.000 0.752 23 L CB -0.526 41.560 42.059 0.045 0.000 0.896 23 L HN 0.414 nan 8.230 nan 0.000 0.433 24 S N -1.717 113.895 115.700 -0.147 0.000 2.423 24 S HA -0.158 4.313 4.470 0.001 0.000 0.231 24 S C 1.897 176.318 174.600 -0.299 0.000 1.014 24 S CA 0.908 58.971 58.200 -0.230 0.000 0.965 24 S CB -0.841 62.206 63.200 -0.255 0.000 0.785 24 S HN 0.451 nan 8.310 nan 0.000 0.495 25 C N 1.353 120.467 119.300 -0.310 0.000 2.481 25 C HA 0.231 4.692 4.460 0.001 0.000 0.275 25 C C 1.427 176.196 174.990 -0.368 0.000 1.419 25 C CA -0.478 58.384 59.018 -0.259 0.000 1.773 25 C CB -1.616 26.058 27.740 -0.110 0.000 1.862 25 C HN 0.688 nan 8.230 nan 0.000 0.530 26 Q N 1.671 121.107 119.800 -0.607 0.000 2.337 26 Q HA 0.113 4.453 4.340 0.001 0.000 0.270 26 Q C -0.262 175.264 176.000 -0.790 0.000 1.002 26 Q CA 0.355 55.431 55.803 -1.211 0.000 0.888 26 Q CB 0.564 28.527 28.738 -1.291 0.000 1.222 26 Q HN 0.285 nan 8.270 nan 0.000 0.400 27 K N 2.450 122.317 120.400 -0.888 0.000 2.258 27 K HA 0.008 4.329 4.320 0.001 0.000 0.264 27 K C 0.333 176.559 176.600 -0.623 0.000 1.007 27 K CA -0.059 55.783 56.287 -0.741 0.000 0.941 27 K CB 0.480 32.312 32.500 -1.113 0.000 0.966 27 K HN 0.558 nan 8.250 nan 0.000 0.480 28 D N 1.522 121.672 120.400 -0.417 0.000 2.158 28 D HA -0.162 4.478 4.640 0.001 0.000 0.197 28 D C 0.910 177.043 176.300 -0.278 0.000 0.995 28 D CA 1.437 55.264 54.000 -0.289 0.000 0.846 28 D CB 0.179 40.867 40.800 -0.187 0.000 0.941 28 D HN 0.526 nan 8.370 nan 0.000 0.456 29 E N -1.168 118.837 120.200 -0.326 0.000 2.347 29 E HA 0.188 4.539 4.350 0.001 0.000 0.196 29 E C 1.555 178.003 176.600 -0.253 0.000 1.008 29 E CA 0.894 57.183 56.400 -0.185 0.000 0.852 29 E CB 0.164 29.854 29.700 -0.016 0.000 0.783 29 E HN 0.328 nan 8.360 nan 0.000 0.505 30 G N -0.745 107.747 108.800 -0.514 0.000 2.296 30 G HA2 -0.203 3.757 3.960 0.001 0.000 0.188 30 G HA3 -0.203 3.757 3.960 0.001 0.000 0.188 30 G C -0.115 174.387 174.900 -0.663 0.000 1.000 30 G CA -0.161 44.660 45.100 -0.466 0.000 0.672 30 G HN 0.285 nan 8.290 nan 0.000 0.483 31 Y N -0.360 119.395 120.300 -0.908 0.000 2.432 31 Y HA 0.824 5.374 4.550 0.001 0.000 0.322 31 Y C 0.260 175.815 175.900 -0.576 0.000 1.246 31 Y CA -2.493 55.063 58.100 -0.907 0.000 1.268 31 Y CB 0.923 38.376 38.460 -1.679 0.000 1.276 31 Y HN 0.097 nan 8.280 nan 0.000 0.499 32 W N 1.315 122.555 121.300 -0.100 0.000 2.578 32 W HA 0.352 5.013 4.660 0.001 0.000 0.346 32 W C -1.566 175.109 176.519 0.261 0.000 1.075 32 W CA -0.808 56.540 57.345 0.004 0.000 1.233 32 W CB 1.934 31.370 29.460 -0.040 0.000 1.358 32 W HN 0.762 nan 8.180 nan 0.000 0.574 33 W N 1.833 123.267 121.300 0.224 0.000 3.450 33 W HA 0.429 5.090 4.660 0.001 0.000 0.316 33 W C -1.176 175.395 176.519 0.086 0.000 1.099 33 W CA -1.243 56.181 57.345 0.132 0.000 1.277 33 W CB 0.384 29.965 29.460 0.202 0.000 1.130 33 W HN 0.379 nan 8.180 nan 0.000 0.392 34 G N 4.789 113.670 108.800 0.135 0.000 2.400 34 G HA2 0.717 4.678 3.960 0.001 0.000 0.333 34 G HA3 0.717 4.678 3.960 0.001 0.000 0.333 34 G C -2.815 171.968 174.900 -0.195 0.000 1.143 34 G CA -1.636 43.428 45.100 -0.059 0.000 0.914 34 G HN 0.095 nan 8.290 nan 0.000 0.480 35 P HA 0.108 nan 4.420 nan 0.000 0.267 35 P C -0.503 176.699 177.300 -0.164 0.000 1.200 35 P CA -0.344 62.591 63.100 -0.276 0.000 0.772 35 P CB 0.850 32.398 31.700 -0.254 0.000 0.855 36 L N 4.393 125.516 121.223 -0.167 0.000 2.276 36 L HA 0.333 4.673 4.340 0.001 0.000 0.286 36 L C -0.862 175.887 176.870 -0.202 0.000 1.024 36 L CA -0.188 54.522 54.840 -0.216 0.000 0.826 36 L CB -0.063 41.888 42.059 -0.180 0.000 1.211 36 L HN 0.196 nan 8.230 nan 0.000 0.422 37 L N 4.473 125.543 121.223 -0.255 0.000 2.357 37 L HA 0.688 5.029 4.340 0.001 0.000 0.273 37 L C 0.726 177.414 176.870 -0.303 0.000 1.080 37 L CA -0.046 54.679 54.840 -0.192 0.000 0.803 37 L CB 1.372 43.379 42.059 -0.086 0.000 1.174 37 L HN 0.855 nan 8.230 nan 0.000 0.443 38 S N 1.103 116.773 115.700 -0.050 0.000 4.055 38 S HA 0.446 4.916 4.470 0.001 0.000 0.180 38 S C -0.603 174.081 174.600 0.141 0.000 1.191 38 S CA -0.201 57.958 58.200 -0.068 0.000 1.195 38 S CB 0.712 63.834 63.200 -0.130 0.000 1.932 38 S HN 0.776 nan 8.310 nan 0.000 0.781 39 N N -0.420 118.318 118.700 0.062 0.000 2.825 39 N HA 0.442 5.183 4.740 0.001 0.000 0.253 39 N C 0.312 175.922 175.510 0.168 0.000 1.426 39 N CA -0.363 52.760 53.050 0.123 0.000 0.851 39 N CB 1.373 39.889 38.487 0.047 0.000 1.470 39 N HN 0.830 nan 8.380 nan 0.000 0.517 40 V N -3.051 116.947 119.914 0.139 0.000 3.305 40 V HA -0.049 4.072 4.120 0.001 0.000 0.269 40 V C 1.665 177.792 176.094 0.054 0.000 1.157 40 V CA 1.677 64.060 62.300 0.139 0.000 1.157 40 V CB -1.806 29.971 31.823 -0.077 0.000 0.772 40 V HN 0.905 nan 8.190 nan 0.000 0.498 41 T N -2.628 111.944 114.554 0.030 0.000 2.881 41 T HA -0.160 4.190 4.350 0.001 0.000 0.270 41 T C 1.848 176.533 174.700 -0.025 0.000 1.068 41 T CA 1.586 63.668 62.100 -0.030 0.000 1.131 41 T CB -0.440 68.422 68.868 -0.010 0.000 0.871 41 T HN 0.348 nan 8.240 nan 0.000 0.479 42 M N 1.471 121.117 119.600 0.078 0.000 2.065 42 M HA -0.028 4.452 4.480 0.001 0.000 0.259 42 M C 2.186 178.557 176.300 0.118 0.000 1.069 42 M CA 1.789 57.137 55.300 0.081 0.000 1.110 42 M CB -1.179 31.541 32.600 0.200 0.000 1.328 42 M HN 0.333 nan 8.290 nan 0.000 0.405 43 E N 0.444 120.740 120.200 0.160 0.000 2.112 43 E HA 0.062 4.413 4.350 0.001 0.000 0.190 43 E C 2.154 178.860 176.600 0.177 0.000 0.979 43 E CA 1.233 57.771 56.400 0.230 0.000 0.814 43 E CB -0.456 29.387 29.700 0.239 0.000 0.762 43 E HN 0.489 nan 8.360 nan 0.000 0.460 44 A N 1.165 124.014 122.820 0.049 0.000 1.908 44 A HA -0.263 4.058 4.320 0.001 0.000 0.218 44 A C 1.928 179.386 177.584 -0.211 0.000 1.181 44 A CA 1.768 53.760 52.037 -0.075 0.000 0.627 44 A CB -0.458 18.447 19.000 -0.159 0.000 0.818 44 A HN 0.209 nan 8.150 nan 0.000 0.445 45 E N -1.993 118.015 120.200 -0.321 0.000 2.152 45 E HA -0.141 4.210 4.350 0.001 0.000 0.192 45 E C 1.799 178.222 176.600 -0.295 0.000 0.983 45 E CA 1.059 57.032 56.400 -0.712 0.000 0.818 45 E CB -0.277 28.871 29.700 -0.919 0.000 0.758 45 E HN 0.796 nan 8.360 nan 0.000 0.467 46 Y N 1.229 121.485 120.300 -0.074 0.000 2.165 46 Y HA -0.271 4.279 4.550 0.001 0.000 0.286 46 Y C 2.090 177.888 175.900 -0.169 0.000 1.155 46 Y CA 1.176 59.172 58.100 -0.172 0.000 1.164 46 Y CB -0.141 38.309 38.460 -0.018 0.000 0.978 46 Y HN -0.178 nan 8.280 nan 0.000 0.513 47 V N 0.570 120.480 119.914 -0.007 0.000 2.287 47 V HA -0.350 3.770 4.120 0.001 0.000 0.248 47 V C 2.411 178.375 176.094 -0.217 0.000 1.053 47 V CA 2.182 64.444 62.300 -0.063 0.000 1.027 47 V CB -0.731 31.118 31.823 0.044 0.000 0.646 47 V HN 0.466 nan 8.190 nan 0.000 0.447 48 L N -1.006 120.079 121.223 -0.229 0.000 2.093 48 L HA -0.144 4.196 4.340 0.001 0.000 0.208 48 L C 2.429 179.282 176.870 -0.029 0.000 1.085 48 L CA 0.983 55.744 54.840 -0.132 0.000 0.755 48 L CB -0.544 41.504 42.059 -0.019 0.000 0.904 48 L HN 0.343 nan 8.230 nan 0.000 0.435 49 L N -0.171 120.992 121.223 -0.099 0.000 2.012 49 L HA -0.259 4.082 4.340 0.001 0.000 0.210 49 L C 2.614 179.310 176.870 -0.291 0.000 1.073 49 L CA 1.910 56.647 54.840 -0.172 0.000 0.748 49 L CB -0.623 41.147 42.059 -0.482 0.000 0.891 49 L HN 0.247 nan 8.230 nan 0.000 0.431 50 C N -0.816 118.263 119.300 -0.369 0.000 2.413 50 C HA -0.209 4.251 4.460 0.001 0.000 0.276 50 C C 2.712 177.605 174.990 -0.162 0.000 1.248 50 C CA 1.075 59.935 59.018 -0.263 0.000 1.742 50 C CB -1.485 26.106 27.740 -0.249 0.000 2.017 50 C HN 0.809 nan 8.230 nan 0.000 0.481 51 H N 0.812 119.740 119.070 -0.237 0.000 2.319 51 H HA -0.091 4.466 4.556 0.001 0.000 0.299 51 H C 1.871 177.082 175.328 -0.195 0.000 1.092 51 H CA 1.978 57.908 56.048 -0.197 0.000 1.302 51 H CB -0.443 29.053 29.762 -0.444 0.000 1.373 51 H HN 0.469 nan 8.280 nan 0.000 0.497 52 I N 0.002 120.268 120.570 -0.507 0.000 2.226 52 I HA -0.245 3.926 4.170 0.001 0.000 0.245 52 I C 1.974 177.656 176.117 -0.725 0.000 1.100 52 I CA 1.164 61.956 61.300 -0.846 0.000 1.374 52 I CB -0.153 37.396 38.000 -0.752 0.000 1.057 52 I HN 0.267 nan 8.210 nan 0.000 0.413 53 L N -0.149 120.801 121.223 -0.455 0.000 2.554 53 L HA -0.020 4.321 4.340 0.001 0.000 0.226 53 L C 0.417 177.107 176.870 -0.301 0.000 1.137 53 L CA 0.159 54.783 54.840 -0.360 0.000 0.863 53 L CB -0.468 41.364 42.059 -0.378 0.000 0.985 53 L HN 0.278 nan 8.230 nan 0.000 0.451 54 D N 1.866 122.114 120.400 -0.255 0.000 2.699 54 D HA -0.211 4.430 4.640 0.001 0.000 0.239 54 D C -0.025 176.196 176.300 -0.132 0.000 1.136 54 D CA 0.659 54.575 54.000 -0.139 0.000 0.668 54 D CB -0.445 40.296 40.800 -0.098 0.000 1.060 54 D HN 0.382 nan 8.370 nan 0.000 0.429 55 R N -0.136 120.269 120.500 -0.157 0.000 2.639 55 R HA 0.411 4.752 4.340 0.001 0.000 0.273 55 R C -0.809 175.493 176.300 0.003 0.000 1.732 55 R CA -0.694 55.337 56.100 -0.115 0.000 1.586 55 R CB 1.495 31.594 30.300 -0.335 0.000 1.263 55 R HN -0.061 nan 8.270 nan 0.000 0.615 56 V N 1.868 121.807 119.914 0.041 0.000 2.347 56 V HA 0.145 4.265 4.120 0.001 0.000 0.280 56 V C -0.083 176.051 176.094 0.066 0.000 1.021 56 V CA -0.677 61.669 62.300 0.077 0.000 0.847 56 V CB 1.673 33.576 31.823 0.134 0.000 0.990 56 V HN 0.434 nan 8.190 nan 0.000 0.444 57 D N 4.924 125.361 120.400 0.061 0.000 2.317 57 D HA 0.249 4.889 4.640 0.001 0.000 0.234 57 D C 1.135 177.445 176.300 0.017 0.000 1.112 57 D CA -0.480 53.541 54.000 0.036 0.000 0.840 57 D CB 1.231 42.043 40.800 0.021 0.000 1.078 57 D HN 0.279 nan 8.370 nan 0.000 0.486 58 R N 2.892 123.401 120.500 0.014 0.000 2.092 58 R HA -0.086 4.255 4.340 0.001 0.000 0.231 58 R C 0.844 177.144 176.300 0.001 0.000 1.119 58 R CA 0.860 56.964 56.100 0.008 0.000 0.970 58 R CB -0.103 30.199 30.300 0.003 0.000 0.864 58 R HN 0.556 nan 8.270 nan 0.000 0.440 59 D N 0.328 120.723 120.400 -0.009 0.000 2.117 59 D HA -0.163 4.477 4.640 0.001 0.000 0.197 59 D C 1.944 178.221 176.300 -0.038 0.000 0.987 59 D CA 1.050 55.040 54.000 -0.016 0.000 0.829 59 D CB -0.155 40.633 40.800 -0.021 0.000 0.961 59 D HN 0.010 nan 8.370 nan 0.000 0.460 60 R N 0.350 120.801 120.500 -0.081 0.000 2.081 60 R HA -0.039 4.301 4.340 0.001 0.000 0.235 60 R C 2.053 178.310 176.300 -0.072 0.000 1.131 60 R CA 1.048 57.041 56.100 -0.178 0.000 0.960 60 R CB -0.413 29.727 30.300 -0.267 0.000 0.856 60 R HN 0.059 nan 8.270 nan 0.000 0.436 61 M N 0.773 120.374 119.600 0.002 0.000 2.117 61 M HA -0.098 4.382 4.480 0.001 0.000 0.262 61 M C 1.640 177.986 176.300 0.076 0.000 1.065 61 M CA 1.560 56.898 55.300 0.064 0.000 1.114 61 M CB -0.772 31.869 32.600 0.068 0.000 1.361 61 M HN 0.110 nan 8.290 nan 0.000 0.408 62 E N 0.487 120.718 120.200 0.052 0.000 2.106 62 E HA -0.108 4.243 4.350 0.001 0.000 0.192 62 E C 1.960 178.623 176.600 0.105 0.000 0.984 62 E CA 0.898 57.340 56.400 0.069 0.000 0.806 62 E CB -0.386 29.343 29.700 0.048 0.000 0.750 62 E HN 0.537 nan 8.360 nan 0.000 0.458 63 K N 0.440 120.895 120.400 0.091 0.000 2.148 63 K HA -0.015 4.306 4.320 0.001 0.000 0.204 63 K C 2.295 179.037 176.600 0.237 0.000 1.050 63 K CA 0.750 57.121 56.287 0.140 0.000 0.942 63 K CB -0.093 32.468 32.500 0.103 0.000 0.724 63 K HN 0.114 nan 8.250 nan 0.000 0.446 64 I N 0.909 121.616 120.570 0.230 0.000 2.286 64 I HA -0.238 3.933 4.170 0.001 0.000 0.245 64 I C 2.722 179.046 176.117 0.345 0.000 1.104 64 I CA 0.834 62.332 61.300 0.329 0.000 1.397 64 I CB -0.188 37.987 38.000 0.292 0.000 1.072 64 I HN 0.154 nan 8.210 nan 0.000 0.417 65 R N 1.365 122.010 120.500 0.241 0.000 2.083 65 R HA -0.236 4.105 4.340 0.001 0.000 0.237 65 R C 2.383 178.831 176.300 0.247 0.000 1.137 65 R CA 1.769 57.995 56.100 0.210 0.000 0.951 65 R CB -0.282 30.101 30.300 0.139 0.000 0.851 65 R HN 0.161 nan 8.270 nan 0.000 0.434 66 R N -0.498 120.159 120.500 0.263 0.000 2.083 66 R HA -0.224 4.117 4.340 0.001 0.000 0.237 66 R C 2.295 178.852 176.300 0.429 0.000 1.137 66 R CA 2.177 58.461 56.100 0.307 0.000 0.951 66 R CB -0.699 29.786 30.300 0.308 0.000 0.851 66 R HN 0.412 nan 8.270 nan 0.000 0.434 67 Y N 0.653 121.165 120.300 0.354 0.000 2.145 67 Y HA -0.194 4.356 4.550 0.001 0.000 0.286 67 Y C 1.699 177.816 175.900 0.361 0.000 1.145 67 Y CA 1.735 60.070 58.100 0.392 0.000 1.148 67 Y CB -0.303 38.329 38.460 0.287 0.000 0.981 67 Y HN 0.032 nan 8.280 nan 0.000 0.507 68 L N -0.759 120.616 121.223 0.253 0.000 1.989 68 L HA -0.271 4.070 4.340 0.001 0.000 0.211 68 L C 2.379 179.483 176.870 0.390 0.000 1.071 68 L CA 1.099 56.074 54.840 0.224 0.000 0.749 68 L CB -0.791 41.400 42.059 0.221 0.000 0.890 68 L HN 0.285 nan 8.230 nan 0.000 0.431 69 L N -0.678 120.716 121.223 0.285 0.000 2.046 69 L HA -0.250 4.090 4.340 0.001 0.000 0.208 69 L C 2.523 179.417 176.870 0.040 0.000 1.077 69 L CA 1.838 56.781 54.840 0.171 0.000 0.747 69 L CB -1.164 40.974 42.059 0.132 0.000 0.896 69 L HN 0.295 nan 8.230 nan 0.000 0.432 70 H N -0.556 118.481 119.070 -0.055 0.000 2.352 70 H HA -0.123 4.434 4.556 0.001 0.000 0.299 70 H C 1.925 177.126 175.328 -0.210 0.000 1.097 70 H CA 1.658 57.582 56.048 -0.207 0.000 1.311 70 H CB 0.379 29.927 29.762 -0.357 0.000 1.377 70 H HN 0.221 nan 8.280 nan 0.000 0.504 71 E N 0.531 120.715 120.200 -0.027 0.000 2.358 71 E HA -0.079 4.271 4.350 0.001 0.000 0.195 71 E C 0.403 176.812 176.600 -0.318 0.000 1.010 71 E CA 0.193 56.544 56.400 -0.083 0.000 0.856 71 E CB -0.039 29.643 29.700 -0.031 0.000 0.795 71 E HN 0.619 nan 8.360 nan 0.000 0.504 72 Q N 1.310 120.796 119.800 -0.524 0.000 2.311 72 Q HA 0.072 4.413 4.340 0.001 0.000 0.272 72 Q C -0.421 175.186 176.000 -0.654 0.000 1.012 72 Q CA -0.009 55.138 55.803 -1.093 0.000 0.891 72 Q CB 0.548 28.676 28.738 -1.017 0.000 1.201 72 Q HN -0.120 nan 8.270 nan 0.000 0.391 73 R N 1.741 121.865 120.500 -0.627 0.000 2.583 73 R HA 0.035 4.375 4.340 0.001 0.000 0.268 73 R C 0.941 177.032 176.300 -0.350 0.000 1.101 73 R CA -0.193 55.658 56.100 -0.415 0.000 1.180 73 R CB 0.321 30.405 30.300 -0.360 0.000 1.128 73 R HN 0.751 nan 8.270 nan 0.000 0.568 74 E N 0.792 120.838 120.200 -0.257 0.000 2.219 74 E HA -0.241 4.110 4.350 0.001 0.000 0.198 74 E C 0.547 177.040 176.600 -0.179 0.000 0.998 74 E CA 1.690 57.973 56.400 -0.196 0.000 0.818 74 E CB 0.096 29.705 29.700 -0.150 0.000 0.741 74 E HN 0.642 nan 8.360 nan 0.000 0.477 75 D N -1.419 118.860 120.400 -0.202 0.000 2.349 75 D HA -0.003 4.638 4.640 0.001 0.000 0.224 75 D C 1.248 177.434 176.300 -0.189 0.000 1.029 75 D CA 0.899 54.795 54.000 -0.173 0.000 0.879 75 D CB 0.211 40.907 40.800 -0.173 0.000 0.906 75 D HN 0.297 nan 8.370 nan 0.000 0.528 76 G N -0.168 108.470 108.800 -0.270 0.000 2.175 76 G HA2 -0.233 3.727 3.960 0.001 0.000 0.244 76 G HA3 -0.233 3.727 3.960 0.001 0.000 0.244 76 G C 0.424 175.085 174.900 -0.398 0.000 0.982 76 G CA 0.498 45.434 45.100 -0.274 0.000 0.641 76 G HN 0.832 nan 8.290 nan 0.000 0.527 77 T N -2.466 111.800 114.554 -0.479 0.000 2.952 77 T HA 0.704 5.055 4.350 0.001 0.000 0.286 77 T C 0.022 174.415 174.700 -0.512 0.000 1.024 77 T CA -0.802 61.058 62.100 -0.401 0.000 1.029 77 T CB 2.163 70.687 68.868 -0.575 0.000 1.094 77 T HN 0.406 nan 8.240 nan 0.000 0.515 78 W N -0.099 121.106 121.300 -0.159 0.000 2.647 78 W HA 0.692 5.352 4.660 0.001 0.000 0.353 78 W C -0.032 176.391 176.519 -0.160 0.000 1.080 78 W CA -1.193 56.070 57.345 -0.137 0.000 1.208 78 W CB 2.324 31.744 29.460 -0.066 0.000 1.396 78 W HN 1.052 nan 8.180 nan 0.000 0.573 79 A N 0.767 123.618 122.820 0.051 0.000 2.486 79 A HA 0.624 4.944 4.320 0.001 0.000 0.289 79 A C 0.093 177.652 177.584 -0.042 0.000 1.176 79 A CA -0.611 51.367 52.037 -0.099 0.000 0.757 79 A CB 1.261 20.070 19.000 -0.318 0.000 1.337 79 A HN 0.684 nan 8.150 nan 0.000 0.423 80 L N -0.622 120.564 121.223 -0.063 0.000 2.418 80 L HA 0.143 4.484 4.340 0.001 0.000 0.218 80 L C -0.006 176.995 176.870 0.217 0.000 1.125 80 L CA 0.831 55.764 54.840 0.155 0.000 0.835 80 L CB -0.539 41.779 42.059 0.431 0.000 0.953 80 L HN 0.757 nan 8.230 nan 0.000 0.454 81 Y N -4.464 115.768 120.300 -0.112 0.000 2.609 81 Y HA 0.592 5.143 4.550 0.001 0.000 0.336 81 Y C -3.010 172.628 175.900 -0.437 0.000 1.129 81 Y CA -3.671 54.162 58.100 -0.445 0.000 1.040 81 Y CB -0.202 38.060 38.460 -0.330 0.000 1.310 81 Y HN -0.283 nan 8.280 nan 0.000 0.460 82 P HA 0.199 nan 4.420 nan 0.000 0.260 82 P C 0.806 178.026 177.300 -0.134 0.000 1.185 82 P CA 2.314 65.226 63.100 -0.313 0.000 0.763 82 P CB 0.543 32.032 31.700 -0.353 0.000 0.776 83 G N 2.348 111.036 108.800 -0.187 0.000 2.179 83 G HA2 -0.183 3.777 3.960 0.001 0.000 0.260 83 G HA3 -0.183 3.777 3.960 0.001 0.000 0.260 83 G C 0.664 175.442 174.900 -0.203 0.000 0.977 83 G CA -0.163 44.875 45.100 -0.104 0.000 0.641 83 G HN 0.876 nan 8.290 nan 0.000 0.533 84 G N 0.386 108.857 108.800 -0.549 0.000 2.634 84 G HA2 0.578 4.539 3.960 0.001 0.000 0.255 84 G HA3 0.578 4.539 3.960 0.001 0.000 0.255 84 G C -1.345 173.286 174.900 -0.447 0.000 1.205 84 G CA -0.175 44.387 45.100 -0.897 0.000 0.884 84 G HN 0.330 nan 8.290 nan 0.000 0.549 85 P HA 0.252 nan 4.420 nan 0.000 0.274 85 P C -2.643 174.539 177.300 -0.196 0.000 1.231 85 P CA -1.369 61.626 63.100 -0.175 0.000 0.790 85 P CB 0.238 31.904 31.700 -0.057 0.000 0.951 86 P HA 0.059 nan 4.420 nan 0.000 0.262 86 P C -0.560 176.693 177.300 -0.077 0.000 1.182 86 P CA 0.712 63.577 63.100 -0.391 0.000 0.761 86 P CB 0.012 31.116 31.700 -0.993 0.000 0.795 87 D N 2.059 122.475 120.400 0.027 0.000 2.344 87 D HA 0.156 4.796 4.640 0.001 0.000 0.239 87 D C 0.769 177.281 176.300 0.353 0.000 1.064 87 D CA -0.536 53.588 54.000 0.206 0.000 0.829 87 D CB 0.766 41.667 40.800 0.169 0.000 1.129 87 D HN 0.039 nan 8.370 nan 0.000 0.506 88 L N 3.996 125.453 121.223 0.390 0.000 1.994 88 L HA -0.064 4.277 4.340 0.001 0.000 0.208 88 L C 1.241 178.229 176.870 0.196 0.000 1.071 88 L CA 1.926 56.959 54.840 0.322 0.000 0.745 88 L CB -0.476 41.646 42.059 0.105 0.000 0.892 88 L HN 0.508 nan 8.230 nan 0.000 0.431 89 D N -0.927 119.566 120.400 0.155 0.000 2.104 89 D HA -0.187 4.454 4.640 0.001 0.000 0.194 89 D C 2.020 178.368 176.300 0.080 0.000 0.994 89 D CA 2.067 56.126 54.000 0.099 0.000 0.830 89 D CB -0.489 40.379 40.800 0.114 0.000 0.959 89 D HN 0.402 nan 8.370 nan 0.000 0.452 90 T N 0.487 115.112 114.554 0.118 0.000 2.746 90 T HA -0.103 4.248 4.350 0.001 0.000 0.267 90 T C 2.054 176.756 174.700 0.002 0.000 1.039 90 T CA 1.652 63.789 62.100 0.062 0.000 1.142 90 T CB -0.440 68.503 68.868 0.125 0.000 0.866 90 T HN 0.157 nan 8.240 nan 0.000 0.444 91 T N 1.905 116.560 114.554 0.167 0.000 2.821 91 T HA 0.106 4.457 4.350 0.001 0.000 0.267 91 T C 1.982 176.754 174.700 0.121 0.000 1.046 91 T CA 0.664 62.930 62.100 0.277 0.000 1.139 91 T CB -0.327 68.850 68.868 0.515 0.000 0.871 91 T HN 0.303 nan 8.240 nan 0.000 0.454 92 I N 1.000 121.620 120.570 0.082 0.000 2.179 92 I HA -0.169 4.002 4.170 0.001 0.000 0.242 92 I C 2.667 178.786 176.117 0.004 0.000 1.088 92 I CA 1.439 62.753 61.300 0.024 0.000 1.357 92 I CB -0.307 37.678 38.000 -0.025 0.000 1.051 92 I HN 0.314 nan 8.210 nan 0.000 0.409 93 E N 0.764 120.928 120.200 -0.059 0.000 2.077 93 E HA -0.212 4.139 4.350 0.001 0.000 0.193 93 E C 2.324 178.818 176.600 -0.176 0.000 0.989 93 E CA 1.244 57.578 56.400 -0.110 0.000 0.800 93 E CB -0.173 29.441 29.700 -0.143 0.000 0.746 93 E HN 0.518 nan 8.360 nan 0.000 0.452 94 A N 1.048 123.656 122.820 -0.354 0.000 1.858 94 A HA -0.232 4.089 4.320 0.001 0.000 0.216 94 A C 2.051 179.452 177.584 -0.305 0.000 1.190 94 A CA 1.502 53.180 52.037 -0.599 0.000 0.617 94 A CB -0.962 17.068 19.000 -1.616 0.000 0.827 94 A HN 0.418 nan 8.150 nan 0.000 0.443 95 Y N 0.605 120.746 120.300 -0.265 0.000 2.128 95 Y HA -0.235 4.316 4.550 0.001 0.000 0.284 95 Y C 2.350 178.243 175.900 -0.011 0.000 1.154 95 Y CA 2.170 60.250 58.100 -0.033 0.000 1.149 95 Y CB -0.263 38.232 38.460 0.059 0.000 0.976 95 Y HN 0.079 nan 8.280 nan 0.000 0.505 96 V N 0.349 120.372 119.914 0.182 0.000 2.343 96 V HA -0.346 3.775 4.120 0.001 0.000 0.247 96 V C 2.626 178.744 176.094 0.040 0.000 1.051 96 V CA 1.819 64.190 62.300 0.118 0.000 1.036 96 V CB -1.504 30.378 31.823 0.098 0.000 0.654 96 V HN 0.598 nan 8.190 nan 0.000 0.451 97 A N -0.357 122.462 122.820 -0.003 0.000 1.873 97 A HA -0.117 4.204 4.320 0.001 0.000 0.215 97 A C 2.214 179.840 177.584 0.069 0.000 1.186 97 A CA 1.594 53.651 52.037 0.033 0.000 0.616 97 A CB -0.543 18.455 19.000 -0.003 0.000 0.823 97 A HN 0.476 nan 8.150 nan 0.000 0.442 98 L N -0.620 120.600 121.223 -0.004 0.000 2.043 98 L HA -0.244 4.097 4.340 0.001 0.000 0.212 98 L C 2.663 179.500 176.870 -0.055 0.000 1.075 98 L CA 2.086 56.917 54.840 -0.014 0.000 0.752 98 L CB -0.372 41.670 42.059 -0.028 0.000 0.891 98 L HN 0.461 nan 8.230 nan 0.000 0.432 99 K N -0.766 119.563 120.400 -0.119 0.000 2.097 99 K HA -0.238 4.083 4.320 0.001 0.000 0.205 99 K C 2.237 178.826 176.600 -0.019 0.000 1.050 99 K CA 1.286 57.501 56.287 -0.120 0.000 0.938 99 K CB -0.199 32.201 32.500 -0.167 0.000 0.718 99 K HN 0.204 nan 8.250 nan 0.000 0.442 100 Y N 0.969 121.224 120.300 -0.076 0.000 2.181 100 Y HA -0.175 4.375 4.550 0.001 0.000 0.288 100 Y C 1.724 177.594 175.900 -0.050 0.000 1.146 100 Y CA 1.662 59.719 58.100 -0.071 0.000 1.164 100 Y CB 0.004 38.414 38.460 -0.083 0.000 0.982 100 Y HN -0.008 nan 8.280 nan 0.000 0.515 101 I N -0.743 119.793 120.570 -0.058 0.000 2.315 101 I HA -0.153 4.018 4.170 0.001 0.000 0.248 101 I C 1.929 177.963 176.117 -0.138 0.000 1.117 101 I CA 1.776 63.010 61.300 -0.109 0.000 1.404 101 I CB -0.246 37.777 38.000 0.039 0.000 1.071 101 I HN 0.532 nan 8.210 nan 0.000 0.419 102 G N -1.293 107.447 108.800 -0.100 0.000 3.987 102 G HA2 -0.018 3.942 3.960 0.001 0.000 0.220 102 G HA3 -0.018 3.942 3.960 0.001 0.000 0.220 102 G C 0.349 175.217 174.900 -0.054 0.000 0.871 102 G CA -0.629 44.420 45.100 -0.085 0.000 0.881 102 G HN -0.083 nan 8.290 nan 0.000 0.674 103 M N 2.352 121.923 119.600 -0.048 0.000 2.245 103 M HA 0.400 4.881 4.480 0.001 0.000 0.344 103 M C 0.970 177.233 176.300 -0.061 0.000 1.170 103 M CA 0.203 55.476 55.300 -0.044 0.000 1.135 103 M CB 0.898 33.467 32.600 -0.051 0.000 1.574 103 M HN 0.425 nan 8.290 nan 0.000 0.452 104 S N 2.976 118.654 115.700 -0.036 0.000 2.617 104 S HA 0.389 4.860 4.470 0.001 0.000 0.283 104 S C 1.073 175.662 174.600 -0.018 0.000 1.189 104 S CA -0.897 57.289 58.200 -0.024 0.000 1.036 104 S CB 1.420 64.618 63.200 -0.002 0.000 1.014 104 S HN 0.801 nan 8.310 nan 0.000 0.522 105 R N 1.312 121.818 120.500 0.009 0.000 2.193 105 R HA -0.065 4.275 4.340 0.001 0.000 0.229 105 R C 0.373 176.725 176.300 0.087 0.000 1.110 105 R CA 1.672 57.815 56.100 0.073 0.000 0.988 105 R CB -0.824 29.574 30.300 0.164 0.000 0.871 105 R HN 0.566 nan 8.270 nan 0.000 0.458 106 D N 1.119 121.553 120.400 0.057 0.000 2.218 106 D HA -0.059 4.582 4.640 0.001 0.000 0.204 106 D C 0.022 176.348 176.300 0.044 0.000 0.976 106 D CA 0.889 54.919 54.000 0.050 0.000 0.853 106 D CB -0.019 40.803 40.800 0.037 0.000 0.939 106 D HN 0.416 nan 8.370 nan 0.000 0.481 107 E N 0.414 120.636 120.200 0.036 0.000 2.398 107 E HA -0.020 4.331 4.350 0.001 0.000 0.263 107 E C 1.073 177.700 176.600 0.045 0.000 1.046 107 E CA -0.078 56.341 56.400 0.032 0.000 0.908 107 E CB 0.996 30.709 29.700 0.021 0.000 0.963 107 E HN 0.197 nan 8.360 nan 0.000 0.431 108 E N 3.481 123.701 120.200 0.033 0.000 2.051 108 E HA -0.155 4.196 4.350 0.001 0.000 0.192 108 E C -0.899 175.723 176.600 0.037 0.000 0.991 108 E CA 1.083 57.501 56.400 0.031 0.000 0.799 108 E CB -0.511 29.196 29.700 0.011 0.000 0.748 108 E HN 0.335 nan 8.360 nan 0.000 0.449 109 P HA -0.182 nan 4.420 nan 0.000 0.216 109 P C 1.293 178.663 177.300 0.117 0.000 1.150 109 P CA 1.470 64.591 63.100 0.034 0.000 0.843 109 P CB -0.039 31.682 31.700 0.036 0.000 0.787 110 M N -1.259 118.422 119.600 0.136 0.000 2.200 110 M HA -0.081 4.400 4.480 0.001 0.000 0.265 110 M C 2.139 178.626 176.300 0.311 0.000 1.066 110 M CA 1.560 56.998 55.300 0.230 0.000 1.127 110 M CB -1.426 31.220 32.600 0.077 0.000 1.379 110 M HN 0.081 nan 8.290 nan 0.000 0.420 111 Q N 0.519 120.429 119.800 0.183 0.000 2.084 111 Q HA -0.175 4.165 4.340 0.001 0.000 0.202 111 Q C 2.023 178.102 176.000 0.131 0.000 0.978 111 Q CA 1.494 57.386 55.803 0.149 0.000 0.844 111 Q CB -0.064 28.729 28.738 0.091 0.000 0.898 111 Q HN 0.512 nan 8.270 nan 0.000 0.426 112 K N 0.198 120.664 120.400 0.109 0.000 2.062 112 K HA -0.058 4.262 4.320 0.001 0.000 0.205 112 K C 2.072 178.752 176.600 0.133 0.000 1.051 112 K CA 1.048 57.383 56.287 0.081 0.000 0.941 112 K CB -0.147 32.363 32.500 0.017 0.000 0.719 112 K HN 0.118 nan 8.250 nan 0.000 0.440 113 A N 1.828 124.767 122.820 0.198 0.000 1.877 113 A HA -0.167 4.153 4.320 0.001 0.000 0.216 113 A C 2.115 179.827 177.584 0.212 0.000 1.186 113 A CA 1.178 53.397 52.037 0.302 0.000 0.620 113 A CB -0.739 18.588 19.000 0.546 0.000 0.822 113 A HN 0.242 nan 8.150 nan 0.000 0.443 114 L N -0.608 120.691 121.223 0.127 0.000 1.989 114 L HA -0.239 4.102 4.340 0.001 0.000 0.211 114 L C 2.794 179.653 176.870 -0.017 0.000 1.071 114 L CA 2.400 57.195 54.840 -0.074 0.000 0.749 114 L CB -0.563 41.502 42.059 0.010 0.000 0.890 114 L HN 0.576 nan 8.230 nan 0.000 0.431 115 R N -0.812 119.721 120.500 0.054 0.000 2.119 115 R HA -0.292 4.049 4.340 0.001 0.000 0.246 115 R C 2.354 178.695 176.300 0.068 0.000 1.146 115 R CA 2.387 58.519 56.100 0.053 0.000 0.962 115 R CB -0.607 29.737 30.300 0.073 0.000 0.863 115 R HN 0.370 nan 8.270 nan 0.000 0.442 116 F N 1.007 120.953 119.950 -0.006 0.000 2.113 116 F HA -0.105 4.423 4.527 0.001 0.000 0.297 116 F C 1.916 177.707 175.800 -0.014 0.000 1.103 116 F CA 1.464 59.463 58.000 -0.002 0.000 1.248 116 F CB -0.359 38.648 39.000 0.013 0.000 0.999 116 F HN -0.024 nan 8.300 nan 0.000 0.475 117 I N 0.414 120.858 120.570 -0.210 0.000 2.194 117 I HA -0.365 3.806 4.170 0.001 0.000 0.246 117 I C 2.400 178.332 176.117 -0.308 0.000 1.093 117 I CA 1.768 62.874 61.300 -0.324 0.000 1.355 117 I CB -0.616 37.263 38.000 -0.203 0.000 1.046 117 I HN 0.294 nan 8.210 nan 0.000 0.413 118 Q N -0.022 119.656 119.800 -0.204 0.000 2.167 118 Q HA -0.158 4.183 4.340 0.001 0.000 0.202 118 Q C 2.332 178.244 176.000 -0.146 0.000 0.970 118 Q CA 1.744 57.462 55.803 -0.143 0.000 0.855 118 Q CB -0.127 28.563 28.738 -0.081 0.000 0.911 118 Q HN 0.605 nan 8.270 nan 0.000 0.438 119 S N 0.095 115.686 115.700 -0.181 0.000 2.481 119 S HA -0.081 4.389 4.470 0.001 0.000 0.231 119 S C 1.520 176.004 174.600 -0.193 0.000 0.996 119 S CA 0.580 58.690 58.200 -0.149 0.000 0.942 119 S CB 0.145 63.285 63.200 -0.099 0.000 0.768 119 S HN 0.229 nan 8.310 nan 0.000 0.520 120 Q N 0.375 119.989 119.800 -0.310 0.000 2.282 120 Q HA 0.326 4.666 4.340 0.001 0.000 0.206 120 Q C 1.327 177.235 176.000 -0.154 0.000 0.878 120 Q CA 0.606 56.253 55.803 -0.259 0.000 0.944 120 Q CB 0.409 28.901 28.738 -0.410 0.000 1.100 120 Q HN 0.771 nan 8.270 nan 0.000 0.509 121 G N 0.087 108.809 108.800 -0.129 0.000 2.159 121 G HA2 -0.161 3.800 3.960 0.001 0.000 0.227 121 G HA3 -0.161 3.800 3.960 0.001 0.000 0.227 121 G C 0.653 175.502 174.900 -0.084 0.000 0.986 121 G CA 0.166 45.221 45.100 -0.075 0.000 0.651 121 G HN 0.770 nan 8.290 nan 0.000 0.523 122 G N -0.340 108.375 108.800 -0.142 0.000 2.562 122 G HA2 -0.184 3.777 3.960 0.001 0.000 0.250 122 G HA3 -0.184 3.777 3.960 0.001 0.000 0.250 122 G C 1.028 175.819 174.900 -0.181 0.000 1.269 122 G CA 0.369 45.365 45.100 -0.174 0.000 0.919 122 G HN 1.091 nan 8.290 nan 0.000 0.574 123 I N 1.306 121.714 120.570 -0.270 0.000 2.361 123 I HA -0.105 4.065 4.170 0.001 0.000 0.251 123 I C 2.563 178.591 176.117 -0.147 0.000 1.133 123 I CA 1.714 62.845 61.300 -0.282 0.000 1.413 123 I CB -0.263 37.419 38.000 -0.530 0.000 1.073 123 I HN 0.477 nan 8.210 nan 0.000 0.424 124 E N 0.343 120.525 120.200 -0.031 0.000 2.338 124 E HA -0.104 4.246 4.350 0.001 0.000 0.197 124 E C 2.051 178.659 176.600 0.012 0.000 1.007 124 E CA 0.780 57.219 56.400 0.066 0.000 0.849 124 E CB -0.121 29.657 29.700 0.131 0.000 0.774 124 E HN 0.380 nan 8.360 nan 0.000 0.506 125 S N 0.734 116.417 115.700 -0.028 0.000 2.593 125 S HA 0.007 4.478 4.470 0.001 0.000 0.217 125 S C 0.937 175.521 174.600 -0.027 0.000 0.966 125 S CA -0.037 58.149 58.200 -0.024 0.000 0.914 125 S CB 0.139 63.313 63.200 -0.043 0.000 0.776 125 S HN 0.254 nan 8.310 nan 0.000 0.523 126 S N 2.183 117.848 115.700 -0.058 0.000 2.672 126 S HA 0.488 4.959 4.470 0.001 0.000 0.276 126 S C 0.180 174.752 174.600 -0.048 0.000 1.207 126 S CA -1.108 57.063 58.200 -0.048 0.000 1.002 126 S CB 0.810 63.960 63.200 -0.082 0.000 0.998 126 S HN 0.520 nan 8.310 nan 0.000 0.542 127 R N 0.362 120.854 120.500 -0.014 0.000 2.774 127 R HA 0.270 4.610 4.340 0.001 0.000 0.269 127 R C 0.692 176.927 176.300 -0.109 0.000 1.068 127 R CA -0.597 55.486 56.100 -0.029 0.000 1.180 127 R CB -0.129 30.193 30.300 0.035 0.000 1.077 127 R HN 0.414 nan 8.270 nan 0.000 0.513 128 V N 1.121 120.917 119.914 -0.198 0.000 2.287 128 V HA -0.262 3.858 4.120 0.001 0.000 0.248 128 V C 2.112 178.094 176.094 -0.186 0.000 1.053 128 V CA 1.829 63.977 62.300 -0.252 0.000 1.027 128 V CB -0.880 30.683 31.823 -0.432 0.000 0.646 128 V HN 0.688 nan 8.190 nan 0.000 0.447 129 F N 0.835 120.686 119.950 -0.166 0.000 2.120 129 F HA -0.219 4.308 4.527 0.001 0.000 0.300 129 F C 2.598 178.456 175.800 0.097 0.000 1.095 129 F CA 2.081 60.057 58.000 -0.039 0.000 1.249 129 F CB -1.512 37.460 39.000 -0.046 0.000 0.995 129 F HN 0.126 nan 8.300 nan 0.000 0.480 130 T N -0.539 114.132 114.554 0.194 0.000 2.770 130 T HA -0.131 4.219 4.350 0.001 0.000 0.263 130 T C 2.106 176.806 174.700 -0.000 0.000 1.039 130 T CA 1.144 63.319 62.100 0.124 0.000 1.142 130 T CB -0.190 68.689 68.868 0.018 0.000 0.868 130 T HN 0.153 nan 8.240 nan 0.000 0.435 131 R N 0.540 120.924 120.500 -0.192 0.000 2.127 131 R HA 0.003 4.344 4.340 0.001 0.000 0.238 131 R C 2.499 178.623 176.300 -0.294 0.000 1.134 131 R CA 1.277 57.087 56.100 -0.484 0.000 0.975 131 R CB -0.339 29.457 30.300 -0.840 0.000 0.865 131 R HN 0.393 nan 8.270 nan 0.000 0.447 132 M N -0.593 118.911 119.600 -0.160 0.000 2.156 132 M HA -0.162 4.319 4.480 0.001 0.000 0.264 132 M C 1.401 177.563 176.300 -0.230 0.000 1.067 132 M CA 1.718 56.862 55.300 -0.259 0.000 1.131 132 M CB -0.104 32.428 32.600 -0.112 0.000 1.368 132 M HN 0.164 nan 8.290 nan 0.000 0.416 133 W N 0.805 122.092 121.300 -0.021 0.000 2.338 133 W HA -0.189 4.472 4.660 0.001 0.000 0.304 133 W C 2.071 178.587 176.519 -0.006 0.000 1.212 133 W CA 1.116 58.483 57.345 0.036 0.000 1.264 133 W CB -0.460 29.041 29.460 0.069 0.000 1.142 133 W HN 0.197 nan 8.180 nan 0.000 0.512 134 L N -0.365 120.963 121.223 0.175 0.000 2.083 134 L HA -0.191 4.150 4.340 0.001 0.000 0.209 134 L C 2.605 179.518 176.870 0.070 0.000 1.083 134 L CA 1.234 56.149 54.840 0.125 0.000 0.752 134 L CB -1.099 41.012 42.059 0.086 0.000 0.899 134 L HN -0.002 nan 8.230 nan 0.000 0.433 135 A N -0.146 122.605 122.820 -0.114 0.000 1.930 135 A HA -0.142 4.178 4.320 0.001 0.000 0.217 135 A C 2.234 179.648 177.584 -0.282 0.000 1.175 135 A CA 1.202 53.005 52.037 -0.391 0.000 0.627 135 A CB -0.609 17.727 19.000 -1.107 0.000 0.815 135 A HN 0.357 nan 8.150 nan 0.000 0.443 136 L N -0.211 120.946 121.223 -0.110 0.000 2.191 136 L HA -0.123 4.218 4.340 0.001 0.000 0.212 136 L C 1.974 179.056 176.870 0.354 0.000 1.103 136 L CA 1.376 56.366 54.840 0.250 0.000 0.769 136 L CB -0.097 42.081 42.059 0.198 0.000 0.908 136 L HN 0.463 nan 8.230 nan 0.000 0.438 137 V N -4.026 116.050 119.914 0.270 0.000 3.271 137 V HA 0.516 4.636 4.120 0.001 0.000 0.327 137 V C 1.066 177.297 176.094 0.230 0.000 1.389 137 V CA 0.206 62.691 62.300 0.308 0.000 1.156 137 V CB -0.186 31.816 31.823 0.297 0.000 1.103 137 V HN 0.409 nan 8.190 nan 0.000 0.453 138 G N 0.826 109.731 108.800 0.175 0.000 2.147 138 G HA2 -0.208 3.752 3.960 0.001 0.000 0.244 138 G HA3 -0.208 3.752 3.960 0.001 0.000 0.244 138 G C 0.370 175.349 174.900 0.133 0.000 1.005 138 G CA 0.493 45.677 45.100 0.140 0.000 0.713 138 G HN 0.539 nan 8.290 nan 0.000 0.515 139 E N -1.523 118.774 120.200 0.162 0.000 2.498 139 E HA 0.284 4.634 4.350 0.001 0.000 0.203 139 E C -0.058 176.742 176.600 0.333 0.000 1.013 139 E CA -0.036 56.497 56.400 0.222 0.000 0.927 139 E CB 0.575 30.410 29.700 0.224 0.000 1.012 139 E HN 0.688 nan 8.360 nan 0.000 0.482 140 Y N 0.481 120.826 120.300 0.076 0.000 2.519 140 Y HA 0.339 4.890 4.550 0.001 0.000 0.336 140 Y C -2.735 173.143 175.900 -0.037 0.000 1.089 140 Y CA -2.438 55.706 58.100 0.074 0.000 1.025 140 Y CB 2.044 40.538 38.460 0.058 0.000 1.318 140 Y HN -0.185 nan 8.280 nan 0.000 0.452 141 P HA 0.123 nan 4.420 nan 0.000 0.281 141 P C -0.152 177.090 177.300 -0.097 0.000 1.252 141 P CA 0.141 63.092 63.100 -0.249 0.000 0.778 141 P CB 0.646 32.163 31.700 -0.304 0.000 0.895 142 W N 1.351 122.662 121.300 0.020 0.000 2.374 142 W HA -0.155 4.506 4.660 0.001 0.000 0.288 142 W C 1.751 178.310 176.519 0.067 0.000 1.218 142 W CA 0.834 58.235 57.345 0.093 0.000 1.245 142 W CB -0.304 29.203 29.460 0.078 0.000 1.126 142 W HN 0.442 nan 8.180 nan 0.000 0.545 143 E N 0.121 120.425 120.200 0.173 0.000 2.219 143 E HA -0.209 4.141 4.350 0.001 0.000 0.198 143 E C 1.387 177.801 176.600 -0.310 0.000 0.998 143 E CA 1.407 57.751 56.400 -0.092 0.000 0.818 143 E CB -0.324 29.314 29.700 -0.103 0.000 0.741 143 E HN 0.226 nan 8.360 nan 0.000 0.477 144 K N -0.090 120.257 120.400 -0.089 0.000 2.372 144 K HA 0.181 4.501 4.320 0.001 0.000 0.200 144 K C -0.561 176.194 176.600 0.258 0.000 1.022 144 K CA -0.089 56.204 56.287 0.010 0.000 1.125 144 K CB 1.109 33.576 32.500 -0.054 0.000 0.855 144 K HN -0.089 nan 8.250 nan 0.000 0.524 145 V N 3.376 123.494 119.914 0.340 0.000 2.370 145 V HA 0.186 4.307 4.120 0.001 0.000 0.279 145 V C -2.361 174.015 176.094 0.469 0.000 1.029 145 V CA -2.433 60.094 62.300 0.379 0.000 0.870 145 V CB 1.095 33.124 31.823 0.345 0.000 0.984 145 V HN 0.010 nan 8.190 nan 0.000 0.451 146 P HA 0.007 nan 4.420 nan 0.000 0.261 146 P C -0.369 177.061 177.300 0.217 0.000 1.173 146 P CA 0.059 63.349 63.100 0.316 0.000 0.760 146 P CB 0.256 32.111 31.700 0.258 0.000 0.783 147 M N 5.354 124.956 119.600 0.004 0.000 2.146 147 M HA 0.223 4.704 4.480 0.001 0.000 0.357 147 M C -1.192 175.006 176.300 -0.171 0.000 1.261 147 M CA -0.093 55.111 55.300 -0.160 0.000 1.106 147 M CB 0.528 32.859 32.600 -0.448 0.000 1.612 147 M HN -0.026 nan 8.290 nan 0.000 0.470 148 V N 9.259 129.024 119.914 -0.248 0.000 2.294 148 V HA 0.500 4.621 4.120 0.001 0.000 0.272 148 V C -2.147 173.775 176.094 -0.287 0.000 1.027 148 V CA -1.287 60.804 62.300 -0.348 0.000 0.823 148 V CB 0.709 32.174 31.823 -0.596 0.000 1.030 148 V HN 0.779 nan 8.190 nan 0.000 0.457 149 P HA 0.321 nan 4.420 nan 0.000 0.282 149 P C -2.250 174.918 177.300 -0.219 0.000 1.249 149 P CA -2.101 60.883 63.100 -0.194 0.000 0.806 149 P CB 1.458 33.078 31.700 -0.134 0.000 0.984 150 P HA -0.103 nan 4.420 nan 0.000 0.225 150 P C 0.852 177.961 177.300 -0.318 0.000 1.148 150 P CA 1.247 64.195 63.100 -0.252 0.000 0.779 150 P CB 0.124 31.703 31.700 -0.201 0.000 0.780 151 E N -0.365 119.700 120.200 -0.225 0.000 2.472 151 E HA -0.062 4.289 4.350 0.001 0.000 0.200 151 E C 1.854 178.343 176.600 -0.184 0.000 1.046 151 E CA 0.163 56.444 56.400 -0.200 0.000 0.871 151 E CB -1.063 28.670 29.700 0.055 0.000 0.806 151 E HN 0.286 nan 8.360 nan 0.000 0.533 152 I N 0.179 120.620 120.570 -0.216 0.000 2.423 152 I HA -0.278 3.893 4.170 0.001 0.000 0.254 152 I C 1.263 177.242 176.117 -0.230 0.000 1.151 152 I CA 0.926 62.108 61.300 -0.198 0.000 1.421 152 I CB 0.121 37.966 38.000 -0.259 0.000 1.079 152 I HN 0.164 nan 8.210 nan 0.000 0.431 153 M N -0.404 118.987 119.600 -0.347 0.000 2.460 153 M HA -0.138 4.343 4.480 0.001 0.000 0.263 153 M C 1.668 177.846 176.300 -0.203 0.000 1.071 153 M CA 1.343 56.441 55.300 -0.338 0.000 1.096 153 M CB -1.198 31.156 32.600 -0.410 0.000 1.408 153 M HN 0.197 nan 8.290 nan 0.000 0.463 154 F N 0.311 120.221 119.950 -0.067 0.000 2.710 154 F HA 0.152 4.680 4.527 0.001 0.000 0.298 154 F C 1.035 176.809 175.800 -0.043 0.000 1.137 154 F CA -0.411 57.558 58.000 -0.052 0.000 1.444 154 F CB -0.855 38.107 39.000 -0.063 0.000 1.111 154 F HN -0.040 nan 8.300 nan 0.000 0.580 155 L N 0.565 121.853 121.223 0.107 0.000 2.433 155 L HA 0.254 4.595 4.340 0.001 0.000 0.275 155 L C 1.193 178.108 176.870 0.076 0.000 1.128 155 L CA -0.391 54.490 54.840 0.068 0.000 0.875 155 L CB -0.251 41.829 42.059 0.035 0.000 1.171 155 L HN 0.085 nan 8.230 nan 0.000 0.463 156 G N 2.501 111.347 108.800 0.075 0.000 2.634 156 G HA2 0.078 4.038 3.960 0.001 0.000 0.255 156 G HA3 0.078 4.038 3.960 0.001 0.000 0.255 156 G C 0.868 175.827 174.900 0.099 0.000 1.205 156 G CA -0.551 44.600 45.100 0.085 0.000 0.884 156 G HN 0.887 nan 8.290 nan 0.000 0.549 157 K N -0.591 119.879 120.400 0.118 0.000 2.519 157 K HA -0.021 4.300 4.320 0.001 0.000 0.196 157 K C 1.302 177.951 176.600 0.081 0.000 1.041 157 K CA 0.773 57.139 56.287 0.133 0.000 0.954 157 K CB 0.137 32.697 32.500 0.100 0.000 0.774 157 K HN 0.393 nan 8.250 nan 0.000 0.480 158 R N 0.349 120.881 120.500 0.053 0.000 2.468 158 R HA 0.311 4.652 4.340 0.001 0.000 0.280 158 R C -0.019 176.299 176.300 0.029 0.000 0.963 158 R CA -0.166 55.954 56.100 0.034 0.000 1.083 158 R CB 0.273 30.584 30.300 0.020 0.000 1.200 158 R HN 0.200 nan 8.270 nan 0.000 0.541 159 M N 2.036 121.659 119.600 0.039 0.000 2.363 159 M HA 0.330 4.810 4.480 0.001 0.000 0.343 159 M C -2.233 174.088 176.300 0.035 0.000 1.165 159 M CA -2.213 53.106 55.300 0.032 0.000 1.046 159 M CB 1.744 34.364 32.600 0.033 0.000 1.648 159 M HN -0.270 nan 8.290 nan 0.000 0.452 160 P HA 0.041 nan 4.420 nan 0.000 0.265 160 P C 0.010 177.341 177.300 0.050 0.000 1.193 160 P CA 0.252 63.373 63.100 0.035 0.000 0.765 160 P CB 0.448 32.176 31.700 0.046 0.000 0.823 161 L N -1.700 119.542 121.223 0.031 0.000 4.496 161 L HA -0.305 4.035 4.340 0.001 0.000 0.419 161 L C 0.766 177.726 176.870 0.149 0.000 1.139 161 L CA 0.548 55.434 54.840 0.076 0.000 0.975 161 L CB -2.277 39.847 42.059 0.110 0.000 2.099 161 L HN 0.572 nan 8.230 nan 0.000 0.818 162 N N 1.284 120.038 118.700 0.091 0.000 2.453 162 N HA 0.263 5.004 4.740 0.001 0.000 0.253 162 N C 1.378 176.942 175.510 0.089 0.000 1.252 162 N CA 0.188 53.277 53.050 0.065 0.000 0.917 162 N CB 0.509 39.046 38.487 0.084 0.000 1.117 162 N HN 0.364 nan 8.380 nan 0.000 0.442 163 I N -2.196 118.300 120.570 -0.123 0.000 2.567 163 I HA -0.201 3.970 4.170 0.001 0.000 0.257 163 I C 0.489 176.482 176.117 -0.208 0.000 1.184 163 I CA 1.071 62.196 61.300 -0.291 0.000 1.451 163 I CB -0.521 37.037 38.000 -0.737 0.000 1.089 163 I HN 0.466 nan 8.210 nan 0.000 0.441 164 Y N 1.836 122.199 120.300 0.106 0.000 2.529 164 Y HA 0.099 4.650 4.550 0.001 0.000 0.290 164 Y C 2.220 178.173 175.900 0.088 0.000 1.177 164 Y CA 0.361 58.529 58.100 0.113 0.000 1.305 164 Y CB -0.537 37.983 38.460 0.101 0.000 1.047 164 Y HN 0.312 nan 8.280 nan 0.000 0.522 165 E N -0.559 119.737 120.200 0.159 0.000 2.371 165 E HA -0.025 4.326 4.350 0.001 0.000 0.194 165 E C -0.302 176.223 176.600 -0.126 0.000 1.012 165 E CA 0.186 56.583 56.400 -0.004 0.000 0.860 165 E CB 0.028 29.655 29.700 -0.121 0.000 0.811 165 E HN 0.240 nan 8.360 nan 0.000 0.502 166 F N 1.032 120.922 119.950 -0.100 0.000 2.371 166 F HA 0.311 4.838 4.527 0.001 0.000 0.329 166 F C 1.450 177.116 175.800 -0.223 0.000 1.107 166 F CA -0.556 57.344 58.000 -0.167 0.000 1.137 166 F CB 0.569 39.446 39.000 -0.206 0.000 1.214 166 F HN -0.198 nan 8.300 nan 0.000 0.536 167 G N 0.349 109.009 108.800 -0.233 0.000 2.544 167 G HA2 0.262 4.222 3.960 0.001 0.000 0.242 167 G HA3 0.262 4.222 3.960 0.001 0.000 0.242 167 G C 0.845 175.300 174.900 -0.743 0.000 1.247 167 G CA 0.044 44.743 45.100 -0.668 0.000 0.840 167 G HN 0.813 nan 8.290 nan 0.000 0.578 168 S N 0.487 115.803 115.700 -0.640 0.000 2.365 168 S HA -0.247 4.224 4.470 0.001 0.000 0.225 168 S C 1.967 176.344 174.600 -0.372 0.000 1.039 168 S CA 2.186 60.159 58.200 -0.377 0.000 1.033 168 S CB -0.810 62.107 63.200 -0.473 0.000 0.887 168 S HN 0.958 nan 8.310 nan 0.000 0.447 169 W N 2.375 123.603 121.300 -0.119 0.000 2.338 169 W HA 0.235 4.896 4.660 0.001 0.000 0.304 169 W C 2.435 179.013 176.519 0.099 0.000 1.212 169 W CA 0.741 58.083 57.345 -0.005 0.000 1.264 169 W CB -1.028 28.517 29.460 0.142 0.000 1.142 169 W HN 0.351 nan 8.180 nan 0.000 0.512 170 A N 1.102 123.837 122.820 -0.142 0.000 1.970 170 A HA -0.040 4.281 4.320 0.001 0.000 0.216 170 A C 2.259 179.776 177.584 -0.112 0.000 1.170 170 A CA 1.504 53.579 52.037 0.064 0.000 0.645 170 A CB -0.845 18.213 19.000 0.097 0.000 0.816 170 A HN 0.412 nan 8.150 nan 0.000 0.447 171 R N -0.140 120.243 120.500 -0.195 0.000 2.070 171 R HA -0.124 4.216 4.340 0.001 0.000 0.233 171 R C 2.286 178.396 176.300 -0.317 0.000 1.137 171 R CA 1.606 57.522 56.100 -0.306 0.000 0.945 171 R CB -0.426 29.785 30.300 -0.147 0.000 0.845 171 R HN 0.404 nan 8.270 nan 0.000 0.430 172 A N -0.111 122.682 122.820 -0.045 0.000 1.933 172 A HA -0.121 4.200 4.320 0.001 0.000 0.218 172 A C 2.171 179.772 177.584 0.028 0.000 1.175 172 A CA 1.968 54.072 52.037 0.112 0.000 0.628 172 A CB -0.811 18.368 19.000 0.298 0.000 0.814 172 A HN 0.489 nan 8.150 nan 0.000 0.444 173 T N -0.424 114.177 114.554 0.079 0.000 2.708 173 T HA -0.127 4.223 4.350 0.001 0.000 0.266 173 T C 1.868 176.548 174.700 -0.033 0.000 1.037 173 T CA 1.646 63.857 62.100 0.185 0.000 1.146 173 T CB -0.405 68.684 68.868 0.369 0.000 0.865 173 T HN 0.150 nan 8.240 nan 0.000 0.435 174 V N 1.112 120.879 119.914 -0.246 0.000 2.358 174 V HA -0.132 3.989 4.120 0.001 0.000 0.246 174 V C 2.630 178.428 176.094 -0.494 0.000 1.047 174 V CA 1.241 63.236 62.300 -0.509 0.000 1.035 174 V CB -0.545 30.796 31.823 -0.803 0.000 0.658 174 V HN 0.312 nan 8.190 nan 0.000 0.452 175 V N 0.200 119.807 119.914 -0.510 0.000 2.295 175 V HA -0.237 3.883 4.120 0.001 0.000 0.246 175 V C 2.672 178.580 176.094 -0.310 0.000 1.049 175 V CA 2.034 64.023 62.300 -0.517 0.000 1.024 175 V CB -1.063 30.288 31.823 -0.787 0.000 0.648 175 V HN 0.560 nan 8.190 nan 0.000 0.447 176 A N -0.358 122.338 122.820 -0.208 0.000 1.898 176 A HA -0.119 4.202 4.320 0.001 0.000 0.216 176 A C 2.180 179.675 177.584 -0.148 0.000 1.181 176 A CA 1.615 53.568 52.037 -0.141 0.000 0.620 176 A CB -0.528 18.436 19.000 -0.061 0.000 0.819 176 A HN 0.499 nan 8.150 nan 0.000 0.442 177 L N 0.621 121.728 121.223 -0.193 0.000 2.275 177 L HA -0.138 4.203 4.340 0.001 0.000 0.215 177 L C 2.906 179.611 176.870 -0.274 0.000 1.119 177 L CA 1.244 55.934 54.840 -0.249 0.000 0.790 177 L CB -0.413 41.449 42.059 -0.329 0.000 0.919 177 L HN 0.640 nan 8.230 nan 0.000 0.443 178 S N 0.159 115.675 115.700 -0.308 0.000 2.399 178 S HA -0.157 4.314 4.470 0.001 0.000 0.231 178 S C 1.832 176.290 174.600 -0.237 0.000 1.022 178 S CA 0.914 58.935 58.200 -0.298 0.000 0.983 178 S CB -0.443 62.557 63.200 -0.333 0.000 0.803 178 S HN 0.399 nan 8.310 nan 0.000 0.480 179 I N 1.034 121.483 120.570 -0.202 0.000 2.277 179 I HA -0.070 4.101 4.170 0.001 0.000 0.243 179 I C 2.505 178.524 176.117 -0.165 0.000 1.094 179 I CA 0.765 61.969 61.300 -0.159 0.000 1.393 179 I CB -0.428 37.499 38.000 -0.121 0.000 1.078 179 I HN 0.187 nan 8.210 nan 0.000 0.417 180 V N 0.830 120.649 119.914 -0.159 0.000 2.287 180 V HA -0.312 3.809 4.120 0.001 0.000 0.248 180 V C 2.469 178.374 176.094 -0.315 0.000 1.053 180 V CA 1.964 64.171 62.300 -0.156 0.000 1.027 180 V CB -0.510 31.264 31.823 -0.082 0.000 0.646 180 V HN 0.387 nan 8.190 nan 0.000 0.447 181 M N -0.604 118.798 119.600 -0.331 0.000 2.254 181 M HA -0.118 4.362 4.480 0.001 0.000 0.265 181 M C 2.502 178.541 176.300 -0.434 0.000 1.066 181 M CA 1.547 56.562 55.300 -0.474 0.000 1.123 181 M CB -0.634 31.810 32.600 -0.259 0.000 1.388 181 M HN 0.436 nan 8.290 nan 0.000 0.425 182 S N 0.540 116.059 115.700 -0.301 0.000 2.387 182 S HA -0.132 4.338 4.470 0.001 0.000 0.230 182 S C 1.952 176.408 174.600 -0.239 0.000 1.035 182 S CA 1.278 59.338 58.200 -0.232 0.000 1.014 182 S CB -0.017 63.081 63.200 -0.170 0.000 0.836 182 S HN 0.375 nan 8.310 nan 0.000 0.466 183 R N 0.313 120.642 120.500 -0.286 0.000 2.237 183 R HA 0.254 4.594 4.340 0.001 0.000 0.195 183 R C 0.329 176.394 176.300 -0.391 0.000 0.956 183 R CA 0.154 56.097 56.100 -0.261 0.000 1.029 183 R CB -0.779 29.407 30.300 -0.189 0.000 0.972 183 R HN 0.571 nan 8.270 nan 0.000 0.493 184 Q N 1.314 120.692 119.800 -0.705 0.000 2.431 184 Q HA -0.134 4.207 4.340 0.001 0.000 0.344 184 Q C -2.139 173.470 176.000 -0.652 0.000 1.384 184 Q CA 0.041 55.063 55.803 -1.301 0.000 0.984 184 Q CB -1.160 26.980 28.738 -0.997 0.000 1.204 184 Q HN 0.281 nan 8.270 nan 0.000 0.392 185 P HA 0.235 nan 4.420 nan 0.000 0.275 185 P C -0.383 176.978 177.300 0.102 0.000 1.228 185 P CA -0.140 62.888 63.100 -0.119 0.000 0.786 185 P CB 1.300 32.980 31.700 -0.032 0.000 0.927 186 V N 3.476 123.283 119.914 -0.178 0.000 2.531 186 V HA 0.355 4.476 4.120 0.001 0.000 0.301 186 V C -0.482 175.394 176.094 -0.364 0.000 1.034 186 V CA -0.304 61.971 62.300 -0.041 0.000 0.865 186 V CB 1.271 33.142 31.823 0.079 0.000 0.995 186 V HN 0.338 nan 8.190 nan 0.000 0.424 187 F N 5.444 125.465 119.950 0.119 0.000 2.363 187 F HA 0.461 4.989 4.527 0.001 0.000 0.366 187 F C -2.250 173.672 175.800 0.203 0.000 1.083 187 F CA -2.447 55.588 58.000 0.059 0.000 1.176 187 F CB 1.214 40.162 39.000 -0.088 0.000 1.432 187 F HN 0.308 nan 8.300 nan 0.000 0.482 188 P HA -0.001 nan 4.420 nan 0.000 0.265 188 P C 0.059 177.593 177.300 0.391 0.000 1.187 188 P CA 0.154 63.420 63.100 0.276 0.000 0.766 188 P CB 0.769 32.568 31.700 0.165 0.000 0.820 189 L N 4.814 126.187 121.223 0.251 0.000 2.464 189 L HA 0.225 4.566 4.340 0.001 0.000 0.264 189 L C -1.676 175.271 176.870 0.130 0.000 1.199 189 L CA -1.873 53.026 54.840 0.099 0.000 0.818 189 L CB -0.486 41.618 42.059 0.076 0.000 1.102 189 L HN 0.260 nan 8.230 nan 0.000 0.473 190 P HA -0.004 nan 4.420 nan 0.000 0.266 190 P C -0.018 177.324 177.300 0.071 0.000 1.193 190 P CA -0.010 63.141 63.100 0.085 0.000 0.770 190 P CB 0.548 32.271 31.700 0.039 0.000 0.836 191 E N 1.526 121.762 120.200 0.060 0.000 2.118 191 E HA -0.239 4.112 4.350 0.001 0.000 0.195 191 E C 1.801 178.432 176.600 0.051 0.000 0.992 191 E CA 1.454 57.888 56.400 0.057 0.000 0.804 191 E CB -0.348 29.380 29.700 0.046 0.000 0.741 191 E HN 0.494 nan 8.360 nan 0.000 0.458 192 R N 0.063 120.584 120.500 0.035 0.000 2.276 192 R HA 0.165 4.506 4.340 0.001 0.000 0.203 192 R C 1.582 177.901 176.300 0.031 0.000 1.017 192 R CA 1.117 57.233 56.100 0.026 0.000 1.010 192 R CB 0.094 30.396 30.300 0.004 0.000 0.900 192 R HN 0.080 nan 8.270 nan 0.000 0.469 193 A N 0.687 123.534 122.820 0.046 0.000 2.348 193 A HA 0.273 4.594 4.320 0.001 0.000 0.224 193 A C 0.257 177.903 177.584 0.102 0.000 1.227 193 A CA -0.514 51.564 52.037 0.068 0.000 0.885 193 A CB 0.038 19.101 19.000 0.105 0.000 0.933 193 A HN 0.145 nan 8.150 nan 0.000 0.506 194 R N -0.743 119.819 120.500 0.104 0.000 2.738 194 R HA 0.317 4.658 4.340 0.001 0.000 0.268 194 R C 0.190 176.584 176.300 0.156 0.000 1.062 194 R CA 0.800 56.977 56.100 0.129 0.000 1.158 194 R CB 0.714 31.083 30.300 0.116 0.000 1.046 194 R HN 0.252 nan 8.270 nan 0.000 0.493 195 V N -0.276 119.752 119.914 0.190 0.000 2.562 195 V HA 0.302 4.423 4.120 0.001 0.000 0.274 195 V C -2.079 174.157 176.094 0.237 0.000 1.075 195 V CA -1.092 61.341 62.300 0.223 0.000 1.204 195 V CB 0.969 32.938 31.823 0.243 0.000 1.478 195 V HN 0.723 nan 8.190 nan 0.000 0.622 196 P HA -0.160 nan 4.420 nan 0.000 0.220 196 P C 1.485 178.945 177.300 0.267 0.000 1.148 196 P CA 1.636 64.903 63.100 0.277 0.000 0.803 196 P CB 0.322 32.114 31.700 0.153 0.000 0.782 197 E N 0.725 121.027 120.200 0.169 0.000 2.401 197 E HA -0.125 4.226 4.350 0.001 0.000 0.199 197 E C 1.752 178.367 176.600 0.025 0.000 1.023 197 E CA 0.728 57.190 56.400 0.104 0.000 0.859 197 E CB -0.985 28.778 29.700 0.104 0.000 0.780 197 E HN 0.324 nan 8.360 nan 0.000 0.523 198 L N -0.324 120.886 121.223 -0.022 0.000 2.478 198 L HA -0.000 4.340 4.340 0.001 0.000 0.223 198 L C 1.378 178.093 176.870 -0.260 0.000 1.140 198 L CA 0.584 55.301 54.840 -0.205 0.000 0.842 198 L CB -0.309 41.578 42.059 -0.287 0.000 0.953 198 L HN 0.061 nan 8.230 nan 0.000 0.452 199 Y N -0.255 120.049 120.300 0.006 0.000 2.500 199 Y HA 0.074 4.624 4.550 0.001 0.000 0.270 199 Y C 0.802 176.704 175.900 0.004 0.000 1.134 199 Y CA -0.291 57.818 58.100 0.016 0.000 1.293 199 Y CB 0.161 38.642 38.460 0.035 0.000 1.063 199 Y HN 0.120 nan 8.280 nan 0.000 0.534 200 E N 1.232 121.509 120.200 0.129 0.000 1.932 200 E HA 0.219 4.570 4.350 0.001 0.000 0.275 200 E C -0.148 176.471 176.600 0.033 0.000 1.159 200 E CA -0.020 56.427 56.400 0.078 0.000 0.905 200 E CB 0.635 30.374 29.700 0.065 0.000 1.059 200 E HN -0.035 nan 8.360 nan 0.000 0.400 201 T N 1.334 115.908 114.554 0.033 0.000 2.853 201 T HA 0.162 4.512 4.350 0.001 0.000 0.311 201 T C -1.072 173.637 174.700 0.014 0.000 1.307 201 T CA -0.765 61.339 62.100 0.007 0.000 1.019 201 T CB 1.349 70.207 68.868 -0.016 0.000 1.264 201 T HN 0.152 nan 8.240 nan 0.000 0.497 202 D N 1.821 122.224 120.400 0.005 0.000 2.501 202 D HA 0.310 4.951 4.640 0.001 0.000 0.226 202 D C -0.243 176.059 176.300 0.003 0.000 1.198 202 D CA 0.226 54.231 54.000 0.008 0.000 0.830 202 D CB 0.719 41.524 40.800 0.009 0.000 1.014 202 D HN 0.253 nan 8.370 nan 0.000 0.496 203 V N 2.341 122.253 119.914 -0.004 0.000 2.384 203 V HA 0.318 4.439 4.120 0.001 0.000 0.287 203 V C -2.099 173.994 176.094 -0.002 0.000 1.020 203 V CA -1.768 60.527 62.300 -0.009 0.000 0.850 203 V CB 2.026 33.831 31.823 -0.030 0.000 0.987 203 V HN -0.088 nan 8.190 nan 0.000 0.436 204 P HA 0.229 nan 4.420 nan 0.000 0.269 204 P C -2.660 174.648 177.300 0.013 0.000 1.215 204 P CA -1.207 61.902 63.100 0.014 0.000 0.780 204 P CB -0.247 31.463 31.700 0.017 0.000 0.898 205 P HA 0.103 nan 4.420 nan 0.000 0.264 205 P C -0.475 176.839 177.300 0.022 0.000 1.193 205 P CA 0.382 63.498 63.100 0.026 0.000 0.763 205 P CB 0.384 32.111 31.700 0.046 0.000 0.810 206 R N 3.662 124.171 120.500 0.014 0.000 2.280 206 R HA 0.290 4.631 4.340 0.001 0.000 0.326 206 R C 0.116 176.433 176.300 0.028 0.000 1.080 206 R CA -0.426 55.686 56.100 0.021 0.000 1.002 206 R CB 0.679 30.988 30.300 0.014 0.000 1.136 206 R HN 0.341 nan 8.270 nan 0.000 0.509 207 R N 3.010 123.532 120.500 0.037 0.000 2.408 207 R HA 0.112 4.453 4.340 0.001 0.000 0.308 207 R C -0.389 175.937 176.300 0.044 0.000 1.210 207 R CA -0.723 55.402 56.100 0.042 0.000 1.115 207 R CB 0.511 30.841 30.300 0.050 0.000 1.127 207 R HN 0.294 nan 8.270 nan 0.000 0.523 208 R N 1.381 121.906 120.500 0.042 0.000 2.408 208 R HA 0.274 4.615 4.340 0.001 0.000 0.308 208 R C 0.639 176.960 176.300 0.035 0.000 1.210 208 R CA -0.504 55.622 56.100 0.044 0.000 1.115 208 R CB 0.208 30.539 30.300 0.052 0.000 1.127 208 R HN 0.495 nan 8.270 nan 0.000 0.523 209 G N 1.393 110.216 108.800 0.038 0.000 2.580 209 G HA2 0.395 4.356 3.960 0.001 0.000 0.225 209 G HA3 0.395 4.356 3.960 0.001 0.000 0.225 209 G C -0.391 174.515 174.900 0.010 0.000 1.521 209 G CA -0.535 44.584 45.100 0.032 0.000 1.068 209 G HN 0.819 nan 8.290 nan 0.000 0.564 210 A N -0.888 121.939 122.820 0.012 0.000 2.609 210 A HA 0.170 4.491 4.320 0.001 0.000 0.232 210 A C 1.753 179.304 177.584 -0.054 0.000 1.041 210 A CA 0.329 52.349 52.037 -0.028 0.000 0.753 210 A CB 0.228 19.224 19.000 -0.006 0.000 0.966 210 A HN 0.510 nan 8.150 nan 0.000 0.510 211 K N 2.191 122.528 120.400 -0.105 0.000 2.147 211 K HA -0.137 4.183 4.320 0.001 0.000 0.205 211 K C 1.953 178.482 176.600 -0.118 0.000 1.049 211 K CA 1.816 58.039 56.287 -0.106 0.000 0.936 211 K CB -0.351 32.068 32.500 -0.134 0.000 0.722 211 K HN 0.851 nan 8.250 nan 0.000 0.446 212 G N -0.518 108.152 108.800 -0.216 0.000 2.545 212 G HA2 0.269 4.229 3.960 0.001 0.000 0.212 212 G HA3 0.269 4.229 3.960 0.001 0.000 0.212 212 G C 0.562 175.457 174.900 -0.008 0.000 1.144 212 G CA 0.686 45.638 45.100 -0.248 0.000 0.813 212 G HN 0.546 nan 8.290 nan 0.000 0.531 213 G N -1.790 107.068 108.800 0.097 0.000 2.350 213 G HA2 0.422 4.383 3.960 0.001 0.000 0.276 213 G HA3 0.422 4.383 3.960 0.001 0.000 0.276 213 G C -0.182 174.873 174.900 0.259 0.000 1.313 213 G CA 0.070 45.295 45.100 0.208 0.000 0.903 213 G HN 0.809 nan 8.290 nan 0.000 0.490 214 G N 0.327 109.248 108.800 0.202 0.000 3.717 214 G HA2 0.571 4.532 3.960 0.001 0.000 0.258 214 G HA3 0.571 4.532 3.960 0.001 0.000 0.258 214 G C 0.718 175.734 174.900 0.193 0.000 1.088 214 G CA 0.786 45.997 45.100 0.186 0.000 1.737 214 G HN 1.381 nan 8.290 nan 0.000 0.648 215 G N 1.371 110.286 108.800 0.193 0.000 2.404 215 G HA2 0.185 4.146 3.960 0.001 0.000 0.289 215 G HA3 0.185 4.146 3.960 0.001 0.000 0.289 215 G C 1.063 176.008 174.900 0.075 0.000 1.074 215 G CA -0.499 44.656 45.100 0.092 0.000 1.210 215 G HN 0.648 nan 8.290 nan 0.000 0.434 216 W N 3.298 124.621 121.300 0.038 0.000 2.402 216 W HA -0.087 4.574 4.660 0.001 0.000 0.286 216 W C 1.294 177.780 176.519 -0.055 0.000 1.221 216 W CA 0.036 57.388 57.345 0.010 0.000 1.257 216 W CB -0.566 28.889 29.460 -0.009 0.000 1.120 216 W HN 0.454 nan 8.180 nan 0.000 0.551 217 I N 0.731 120.634 120.570 -1.112 0.000 2.194 217 I HA -0.344 3.826 4.170 0.001 0.000 0.246 217 I C 2.421 178.153 176.117 -0.642 0.000 1.093 217 I CA 1.965 62.581 61.300 -1.141 0.000 1.355 217 I CB -0.527 36.543 38.000 -1.550 0.000 1.046 217 I HN -0.207 nan 8.210 nan 0.000 0.413 218 F N 0.169 120.014 119.950 -0.174 0.000 2.293 218 F HA -0.129 4.398 4.527 0.001 0.000 0.297 218 F C 2.229 178.041 175.800 0.019 0.000 1.089 218 F CA 0.794 58.760 58.000 -0.056 0.000 1.377 218 F CB -0.662 38.322 39.000 -0.026 0.000 1.051 218 F HN 0.061 nan 8.300 nan 0.000 0.511 219 D N 0.378 120.895 120.400 0.194 0.000 2.144 219 D HA -0.115 4.525 4.640 0.001 0.000 0.200 219 D C 2.353 178.745 176.300 0.153 0.000 0.978 219 D CA 1.364 55.472 54.000 0.181 0.000 0.833 219 D CB -0.409 40.504 40.800 0.189 0.000 0.961 219 D HN 0.260 nan 8.370 nan 0.000 0.470 220 A N 0.899 123.799 122.820 0.133 0.000 1.898 220 A HA -0.105 4.216 4.320 0.001 0.000 0.216 220 A C 2.185 179.813 177.584 0.073 0.000 1.181 220 A CA 0.791 52.900 52.037 0.120 0.000 0.620 220 A CB -0.695 18.401 19.000 0.161 0.000 0.819 220 A HN 0.223 nan 8.150 nan 0.000 0.442 221 L N 0.341 121.582 121.223 0.029 0.000 2.083 221 L HA -0.175 4.166 4.340 0.001 0.000 0.209 221 L C 1.938 178.838 176.870 0.050 0.000 1.083 221 L CA 2.762 57.613 54.840 0.019 0.000 0.752 221 L CB -0.577 41.486 42.059 0.007 0.000 0.899 221 L HN 0.502 nan 8.230 nan 0.000 0.433 222 D N -0.779 119.679 120.400 0.095 0.000 2.097 222 D HA -0.212 4.429 4.640 0.001 0.000 0.195 222 D C 2.258 178.653 176.300 0.158 0.000 0.989 222 D CA 1.436 55.499 54.000 0.105 0.000 0.827 222 D CB -0.007 40.895 40.800 0.171 0.000 0.966 222 D HN 0.277 nan 8.370 nan 0.000 0.456 223 R N -0.203 120.405 120.500 0.179 0.000 2.120 223 R HA -0.002 4.339 4.340 0.001 0.000 0.234 223 R C 2.243 178.636 176.300 0.155 0.000 1.123 223 R CA 1.047 57.264 56.100 0.196 0.000 0.975 223 R CB -0.216 30.169 30.300 0.141 0.000 0.866 223 R HN 0.198 nan 8.270 nan 0.000 0.446 224 A N 0.972 123.852 122.820 0.100 0.000 1.930 224 A HA -0.041 4.280 4.320 0.001 0.000 0.215 224 A C 2.121 179.748 177.584 0.072 0.000 1.176 224 A CA 0.769 52.849 52.037 0.072 0.000 0.632 224 A CB -0.273 18.744 19.000 0.029 0.000 0.819 224 A HN 0.141 nan 8.150 nan 0.000 0.445 225 L N -1.590 119.650 121.223 0.028 0.000 2.093 225 L HA -0.169 4.171 4.340 0.001 0.000 0.208 225 L C 2.475 179.349 176.870 0.007 0.000 1.085 225 L CA 1.472 56.308 54.840 -0.007 0.000 0.755 225 L CB -0.645 41.350 42.059 -0.106 0.000 0.904 225 L HN 0.492 nan 8.230 nan 0.000 0.435 226 H N -0.810 118.304 119.070 0.074 0.000 2.387 226 H HA -0.105 4.452 4.556 0.001 0.000 0.299 226 H C 2.263 177.629 175.328 0.064 0.000 1.090 226 H CA 1.090 57.177 56.048 0.065 0.000 1.332 226 H CB -0.094 29.711 29.762 0.073 0.000 1.386 226 H HN 0.342 nan 8.280 nan 0.000 0.516 227 G N -0.322 108.598 108.800 0.201 0.000 2.404 227 G HA2 -0.331 3.630 3.960 0.001 0.000 0.215 227 G HA3 -0.331 3.630 3.960 0.001 0.000 0.215 227 G C 1.441 176.435 174.900 0.157 0.000 1.174 227 G CA 0.725 45.915 45.100 0.150 0.000 0.780 227 G HN 0.405 nan 8.290 nan 0.000 0.537 228 Y N 1.183 121.487 120.300 0.007 0.000 2.207 228 Y HA -0.188 4.363 4.550 0.001 0.000 0.287 228 Y C 2.908 178.760 175.900 -0.080 0.000 1.156 228 Y CA 1.968 60.043 58.100 -0.041 0.000 1.182 228 Y CB -0.340 38.056 38.460 -0.107 0.000 0.979 228 Y HN 0.291 nan 8.280 nan 0.000 0.521 229 Q N 0.657 120.412 119.800 -0.075 0.000 2.170 229 Q HA -0.166 4.175 4.340 0.001 0.000 0.203 229 Q C 1.929 177.944 176.000 0.025 0.000 0.976 229 Q CA 1.846 57.578 55.803 -0.118 0.000 0.858 229 Q CB -0.174 28.558 28.738 -0.011 0.000 0.907 229 Q HN 0.400 nan 8.270 nan 0.000 0.433 230 K N -0.705 119.725 120.400 0.050 0.000 2.365 230 K HA 0.078 4.399 4.320 0.001 0.000 0.197 230 K C 0.064 176.685 176.600 0.034 0.000 1.042 230 K CA -0.040 56.274 56.287 0.046 0.000 0.987 230 K CB 0.091 32.619 32.500 0.046 0.000 0.779 230 K HN 0.221 nan 8.250 nan 0.000 0.484 231 L N 0.785 122.043 121.223 0.059 0.000 2.464 231 L HA -0.012 4.329 4.340 0.001 0.000 0.264 231 L C 1.568 178.362 176.870 -0.126 0.000 1.199 231 L CA -0.213 54.629 54.840 0.003 0.000 0.818 231 L CB 1.063 43.133 42.059 0.017 0.000 1.102 231 L HN 0.079 nan 8.230 nan 0.000 0.473 232 S N 0.112 115.690 115.700 -0.205 0.000 2.486 232 S HA 0.051 4.521 4.470 0.001 0.000 0.220 232 S C 0.354 174.673 174.600 -0.468 0.000 1.011 232 S CA -0.078 57.937 58.200 -0.308 0.000 0.921 232 S CB 0.127 63.221 63.200 -0.177 0.000 0.785 232 S HN 0.462 nan 8.310 nan 0.000 0.517 233 V N 1.131 120.817 119.914 -0.380 0.000 2.459 233 V HA 0.613 4.734 4.120 0.001 0.000 0.295 233 V C -1.477 174.464 176.094 -0.255 0.000 1.029 233 V CA -0.830 61.274 62.300 -0.327 0.000 0.874 233 V CB 0.994 32.725 31.823 -0.153 0.000 0.985 233 V HN 0.443 nan 8.190 nan 0.000 0.438 234 H N 5.031 124.011 119.070 -0.151 0.000 2.716 234 H HA 0.452 5.008 4.556 0.001 0.000 0.260 234 H C -2.678 172.661 175.328 0.018 0.000 1.280 234 H CA -1.957 54.019 56.048 -0.120 0.000 1.506 234 H CB 1.385 31.012 29.762 -0.226 0.000 1.514 234 H HN 0.586 nan 8.280 nan 0.000 0.502 235 P HA -0.098 nan 4.420 nan 0.000 0.262 235 P C -0.156 177.201 177.300 0.096 0.000 1.182 235 P CA 0.319 63.383 63.100 -0.060 0.000 0.761 235 P CB 0.148 31.828 31.700 -0.034 0.000 0.795 236 F N -0.023 120.015 119.950 0.146 0.000 2.871 236 F HA -0.274 4.254 4.527 0.001 0.000 0.326 236 F C 1.848 177.830 175.800 0.302 0.000 0.675 236 F CA 1.178 59.303 58.000 0.208 0.000 1.188 236 F CB -1.742 37.336 39.000 0.129 0.000 1.567 236 F HN 0.356 nan 8.300 nan 0.000 0.325 237 R N 1.062 121.744 120.500 0.304 0.000 2.066 237 R HA -0.110 4.230 4.340 0.001 0.000 0.232 237 R C 2.309 178.681 176.300 0.120 0.000 1.131 237 R CA 1.906 58.131 56.100 0.208 0.000 0.955 237 R CB -0.261 30.144 30.300 0.174 0.000 0.851 237 R HN 0.444 nan 8.270 nan 0.000 0.432 238 R N -0.011 120.549 120.500 0.099 0.000 2.083 238 R HA -0.147 4.194 4.340 0.001 0.000 0.237 238 R C 2.085 178.438 176.300 0.090 0.000 1.137 238 R CA 1.794 57.931 56.100 0.061 0.000 0.951 238 R CB -0.424 29.899 30.300 0.038 0.000 0.851 238 R HN 0.357 nan 8.270 nan 0.000 0.434 239 A N 0.376 123.308 122.820 0.187 0.000 1.972 239 A HA -0.097 4.224 4.320 0.001 0.000 0.219 239 A C 2.292 179.951 177.584 0.125 0.000 1.169 239 A CA 1.647 53.826 52.037 0.236 0.000 0.635 239 A CB -0.649 18.606 19.000 0.426 0.000 0.810 239 A HN 0.569 nan 8.150 nan 0.000 0.446 240 A N -0.172 122.653 122.820 0.008 0.000 1.897 240 A HA -0.116 4.204 4.320 0.001 0.000 0.215 240 A C 1.895 179.338 177.584 -0.234 0.000 1.181 240 A CA 1.506 53.299 52.037 -0.407 0.000 0.620 240 A CB -0.441 18.253 19.000 -0.509 0.000 0.821 240 A HN 0.613 nan 8.150 nan 0.000 0.443 241 E N -0.273 119.859 120.200 -0.113 0.000 2.106 241 E HA -0.123 4.228 4.350 0.001 0.000 0.192 241 E C 1.805 178.371 176.600 -0.056 0.000 0.984 241 E CA 1.132 57.477 56.400 -0.091 0.000 0.806 241 E CB -0.261 29.403 29.700 -0.060 0.000 0.750 241 E HN 0.694 nan 8.360 nan 0.000 0.458 242 I N 0.747 121.305 120.570 -0.019 0.000 2.252 242 I HA -0.255 3.915 4.170 0.001 0.000 0.245 242 I C 2.500 178.626 176.117 0.016 0.000 1.102 242 I CA 0.960 62.268 61.300 0.014 0.000 1.385 242 I CB -0.183 37.843 38.000 0.044 0.000 1.064 242 I HN 0.025 nan 8.210 nan 0.000 0.414 243 R N 0.696 121.188 120.500 -0.014 0.000 2.096 243 R HA -0.202 4.138 4.340 0.001 0.000 0.240 243 R C 2.437 178.744 176.300 0.012 0.000 1.139 243 R CA 1.740 57.835 56.100 -0.007 0.000 0.952 243 R CB -0.529 29.714 30.300 -0.095 0.000 0.854 243 R HN 0.393 nan 8.270 nan 0.000 0.436 244 A N 1.182 123.961 122.820 -0.068 0.000 1.877 244 A HA -0.162 4.159 4.320 0.001 0.000 0.216 244 A C 2.095 179.708 177.584 0.048 0.000 1.186 244 A CA 1.093 53.089 52.037 -0.067 0.000 0.620 244 A CB -0.531 18.371 19.000 -0.163 0.000 0.822 244 A HN 0.262 nan 8.150 nan 0.000 0.443 245 L N 0.218 121.455 121.223 0.022 0.000 2.012 245 L HA -0.201 4.140 4.340 0.001 0.000 0.210 245 L C 1.622 178.557 176.870 0.108 0.000 1.073 245 L CA 2.683 57.550 54.840 0.046 0.000 0.748 245 L CB -0.736 41.334 42.059 0.019 0.000 0.891 245 L HN 0.342 nan 8.230 nan 0.000 0.431 246 D N -1.406 119.062 120.400 0.113 0.000 2.144 246 D HA -0.242 4.398 4.640 0.001 0.000 0.199 246 D C 1.800 178.192 176.300 0.154 0.000 0.984 246 D CA 1.436 55.507 54.000 0.118 0.000 0.834 246 D CB -0.440 40.420 40.800 0.099 0.000 0.955 246 D HN 0.599 nan 8.370 nan 0.000 0.465 247 W N 1.344 122.651 121.300 0.011 0.000 2.358 247 W HA -0.117 4.543 4.660 0.001 0.000 0.303 247 W C 2.033 178.605 176.519 0.088 0.000 1.208 247 W CA 1.093 58.452 57.345 0.022 0.000 1.274 247 W CB -0.231 29.217 29.460 -0.020 0.000 1.138 247 W HN -0.080 nan 8.180 nan 0.000 0.515 248 L N -0.165 121.316 121.223 0.430 0.000 2.027 248 L HA -0.224 4.117 4.340 0.001 0.000 0.206 248 L C 2.473 179.639 176.870 0.493 0.000 1.074 248 L CA 1.110 56.215 54.840 0.441 0.000 0.745 248 L CB -1.088 41.058 42.059 0.145 0.000 0.898 248 L HN 0.021 nan 8.230 nan 0.000 0.433 249 L N -0.394 121.002 121.223 0.287 0.000 2.083 249 L HA -0.216 4.125 4.340 0.001 0.000 0.209 249 L C 2.469 179.408 176.870 0.116 0.000 1.083 249 L CA 1.298 56.275 54.840 0.228 0.000 0.752 249 L CB -0.494 41.650 42.059 0.141 0.000 0.899 249 L HN 0.301 nan 8.230 nan 0.000 0.433 250 E N -0.124 120.082 120.200 0.010 0.000 2.150 250 E HA -0.173 4.177 4.350 0.001 0.000 0.193 250 E C 1.942 178.406 176.600 -0.227 0.000 0.985 250 E CA 0.882 57.201 56.400 -0.135 0.000 0.814 250 E CB 0.103 29.655 29.700 -0.247 0.000 0.752 250 E HN 0.398 nan 8.360 nan 0.000 0.466 251 R N 0.281 120.677 120.500 -0.173 0.000 2.397 251 R HA 0.115 4.455 4.340 0.001 0.000 0.241 251 R C 0.298 176.623 176.300 0.041 0.000 0.914 251 R CA -0.195 55.817 56.100 -0.147 0.000 1.071 251 R CB 0.418 30.510 30.300 -0.348 0.000 1.116 251 R HN 0.076 nan 8.270 nan 0.000 0.524 252 Q N 1.453 121.159 119.800 -0.156 0.000 2.286 252 Q HA 0.113 4.454 4.340 0.001 0.000 0.290 252 Q C -0.523 175.237 176.000 -0.399 0.000 1.049 252 Q CA -0.212 55.142 55.803 -0.747 0.000 0.923 252 Q CB 0.784 29.050 28.738 -0.787 0.000 1.183 252 Q HN 0.212 nan 8.270 nan 0.000 0.383 253 A N 3.210 125.735 122.820 -0.491 0.000 2.366 253 A HA 0.342 4.663 4.320 0.001 0.000 0.249 253 A C 1.140 178.539 177.584 -0.308 0.000 1.084 253 A CA 0.186 52.027 52.037 -0.327 0.000 0.794 253 A CB 0.343 19.171 19.000 -0.288 0.000 1.034 253 A HN 1.022 nan 8.150 nan 0.000 0.491 254 G N -0.038 108.627 108.800 -0.225 0.000 2.471 254 G HA2 -0.161 3.799 3.960 0.001 0.000 0.219 254 G HA3 -0.161 3.799 3.960 0.001 0.000 0.219 254 G C 0.683 175.500 174.900 -0.137 0.000 1.125 254 G CA 1.242 46.243 45.100 -0.165 0.000 0.775 254 G HN 0.875 nan 8.290 nan 0.000 0.548 255 D N -0.865 119.446 120.400 -0.148 0.000 2.349 255 D HA 0.216 4.857 4.640 0.001 0.000 0.224 255 D C 1.730 177.938 176.300 -0.153 0.000 1.029 255 D CA 0.783 54.731 54.000 -0.087 0.000 0.879 255 D CB -0.369 40.444 40.800 0.022 0.000 0.906 255 D HN 0.454 nan 8.370 nan 0.000 0.528 256 G N -0.017 108.603 108.800 -0.299 0.000 2.234 256 G HA2 -0.284 3.677 3.960 0.001 0.000 0.235 256 G HA3 -0.284 3.677 3.960 0.001 0.000 0.235 256 G C 0.521 174.957 174.900 -0.773 0.000 0.997 256 G CA 0.378 45.281 45.100 -0.329 0.000 0.623 256 G HN 0.834 nan 8.290 nan 0.000 0.514 257 S N -0.427 114.533 115.700 -1.235 0.000 2.634 257 S HA 0.600 5.070 4.470 0.001 0.000 0.261 257 S C 0.020 174.027 174.600 -0.987 0.000 1.271 257 S CA -0.289 56.774 58.200 -1.895 0.000 0.985 257 S CB 0.994 63.073 63.200 -1.869 0.000 0.968 257 S HN 0.499 nan 8.310 nan 0.000 0.568 258 W N 0.052 121.085 121.300 -0.445 0.000 2.417 258 W HA 0.482 5.143 4.660 0.001 0.000 0.315 258 W C 0.999 177.500 176.519 -0.029 0.000 1.045 258 W CA -0.010 57.290 57.345 -0.076 0.000 1.221 258 W CB 1.158 30.666 29.460 0.081 0.000 1.309 258 W HN 1.291 nan 8.180 nan 0.000 0.453 259 G N 1.866 110.756 108.800 0.150 0.000 2.180 259 G HA2 -0.245 3.716 3.960 0.001 0.000 0.263 259 G HA3 -0.245 3.716 3.960 0.001 0.000 0.263 259 G C 1.034 176.013 174.900 0.132 0.000 0.989 259 G CA 0.658 45.807 45.100 0.083 0.000 0.692 259 G HN 1.546 nan 8.290 nan 0.000 0.526 260 G N -1.019 107.838 108.800 0.096 0.000 2.203 260 G HA2 -0.086 3.875 3.960 0.001 0.000 0.263 260 G HA3 -0.086 3.875 3.960 0.001 0.000 0.263 260 G C 0.412 175.539 174.900 0.379 0.000 1.012 260 G CA 1.192 46.427 45.100 0.226 0.000 0.749 260 G HN 2.234 nan 8.290 nan 0.000 0.512 261 I N -5.037 115.719 120.570 0.309 0.000 2.828 261 I HA 0.586 4.757 4.170 0.001 0.000 0.302 261 I C 1.037 177.363 176.117 0.349 0.000 1.101 261 I CA -1.167 60.327 61.300 0.323 0.000 1.031 261 I CB 1.630 39.746 38.000 0.193 0.000 1.231 261 I HN -0.058 nan 8.210 nan 0.000 0.427 262 Q N 2.878 122.819 119.800 0.235 0.000 2.050 262 Q HA -0.054 4.287 4.340 0.001 0.000 0.202 262 Q C -1.006 174.797 176.000 -0.327 0.000 0.980 262 Q CA 2.291 58.061 55.803 -0.055 0.000 0.840 262 Q CB -1.074 27.542 28.738 -0.203 0.000 0.898 262 Q HN 0.667 nan 8.270 nan 0.000 0.424 263 P HA -0.096 nan 4.420 nan 0.000 0.211 263 P C -1.589 175.582 177.300 -0.215 0.000 1.179 263 P CA 2.112 64.997 63.100 -0.359 0.000 0.910 263 P CB -1.380 30.249 31.700 -0.120 0.000 0.785 264 P HA -0.188 nan 4.420 nan 0.000 0.220 264 P C 1.542 179.026 177.300 0.306 0.000 1.148 264 P CA 1.208 64.455 63.100 0.244 0.000 0.803 264 P CB -0.480 31.384 31.700 0.272 0.000 0.782 265 W N 0.933 122.360 121.300 0.212 0.000 2.333 265 W HA -0.171 4.490 4.660 0.001 0.000 0.316 265 W C 1.984 178.711 176.519 0.347 0.000 1.215 265 W CA 1.020 58.602 57.345 0.394 0.000 1.278 265 W CB -1.502 28.175 29.460 0.362 0.000 1.154 265 W HN -0.153 nan 8.180 nan 0.000 0.486 266 F N -0.598 119.410 119.950 0.096 0.000 2.146 266 F HA -0.184 4.343 4.527 0.001 0.000 0.298 266 F C 2.225 178.021 175.800 -0.006 0.000 1.096 266 F CA 1.063 59.026 58.000 -0.062 0.000 1.275 266 F CB -1.764 37.154 39.000 -0.136 0.000 1.008 266 F HN -0.119 nan 8.300 nan 0.000 0.480 267 Y N -0.152 120.311 120.300 0.272 0.000 2.263 267 Y HA 0.031 4.582 4.550 0.001 0.000 0.292 267 Y C 2.512 178.400 175.900 -0.020 0.000 1.130 267 Y CA 0.300 58.443 58.100 0.072 0.000 1.179 267 Y CB -1.568 36.914 38.460 0.037 0.000 0.998 267 Y HN 0.007 nan 8.280 nan 0.000 0.532 268 A N 0.273 123.107 122.820 0.024 0.000 1.902 268 A HA -0.128 4.193 4.320 0.001 0.000 0.217 268 A C 2.293 179.818 177.584 -0.097 0.000 1.181 268 A CA 1.430 53.278 52.037 -0.315 0.000 0.623 268 A CB -1.093 17.217 19.000 -1.149 0.000 0.818 268 A HN 0.454 nan 8.150 nan 0.000 0.443 269 L N -0.678 120.613 121.223 0.114 0.000 2.083 269 L HA -0.172 4.169 4.340 0.001 0.000 0.209 269 L C 2.454 179.467 176.870 0.238 0.000 1.083 269 L CA 1.210 56.184 54.840 0.223 0.000 0.752 269 L CB -0.489 41.659 42.059 0.147 0.000 0.899 269 L HN 0.385 nan 8.230 nan 0.000 0.433 270 I N -0.320 120.335 120.570 0.142 0.000 2.252 270 I HA -0.237 3.933 4.170 0.001 0.000 0.245 270 I C 2.820 178.988 176.117 0.084 0.000 1.102 270 I CA 0.981 62.334 61.300 0.089 0.000 1.385 270 I CB -0.443 37.600 38.000 0.073 0.000 1.064 270 I HN 0.179 nan 8.210 nan 0.000 0.414 271 A N 1.185 124.039 122.820 0.058 0.000 1.883 271 A HA -0.198 4.123 4.320 0.001 0.000 0.217 271 A C 2.293 179.892 177.584 0.025 0.000 1.186 271 A CA 1.599 53.642 52.037 0.010 0.000 0.624 271 A CB -0.950 18.022 19.000 -0.047 0.000 0.822 271 A HN 0.376 nan 8.150 nan 0.000 0.444 272 L N -0.833 120.435 121.223 0.074 0.000 2.083 272 L HA -0.201 4.139 4.340 0.001 0.000 0.209 272 L C 2.596 179.481 176.870 0.025 0.000 1.083 272 L CA 1.835 56.736 54.840 0.102 0.000 0.752 272 L CB -0.364 41.870 42.059 0.293 0.000 0.899 272 L HN 0.444 nan 8.230 nan 0.000 0.433 273 K N 1.477 121.901 120.400 0.040 0.000 2.026 273 K HA -0.181 4.140 4.320 0.001 0.000 0.208 273 K C 1.921 178.509 176.600 -0.019 0.000 1.048 273 K CA 1.785 58.019 56.287 -0.088 0.000 0.929 273 K CB -0.436 32.036 32.500 -0.048 0.000 0.713 273 K HN 0.468 nan 8.250 nan 0.000 0.439 274 I N -1.692 118.909 120.570 0.051 0.000 2.928 274 I HA -0.022 4.148 4.170 0.001 0.000 0.266 274 I C 1.060 177.176 176.117 -0.002 0.000 1.234 274 I CA 0.941 62.277 61.300 0.060 0.000 1.483 274 I CB -0.213 37.836 38.000 0.083 0.000 1.097 274 I HN 0.010 nan 8.210 nan 0.000 0.455 275 L N 1.890 123.105 121.223 -0.013 0.000 2.645 275 L HA 0.097 4.438 4.340 0.001 0.000 0.235 275 L C -0.112 176.741 176.870 -0.028 0.000 1.150 275 L CA 0.183 55.011 54.840 -0.022 0.000 0.911 275 L CB -0.769 41.280 42.059 -0.016 0.000 1.077 275 L HN 0.250 nan 8.230 nan 0.000 0.438 276 D N 0.156 120.527 120.400 -0.049 0.000 2.699 276 D HA -0.230 4.410 4.640 0.001 0.000 0.239 276 D C 0.543 176.800 176.300 -0.070 0.000 1.136 276 D CA 1.027 54.986 54.000 -0.069 0.000 0.668 276 D CB -0.926 39.847 40.800 -0.044 0.000 1.060 276 D HN 0.396 nan 8.370 nan 0.000 0.429 277 M N -0.592 118.949 119.600 -0.098 0.000 2.685 277 M HA 0.023 4.504 4.480 0.001 0.000 0.355 277 M C 1.736 177.955 176.300 -0.136 0.000 1.197 277 M CA 0.092 55.373 55.300 -0.032 0.000 0.947 277 M CB 0.492 33.109 32.600 0.029 0.000 1.346 277 M HN 0.075 nan 8.290 nan 0.000 0.516 278 T N -2.501 111.799 114.554 -0.423 0.000 3.007 278 T HA -0.068 4.282 4.350 0.001 0.000 0.270 278 T C 1.508 176.092 174.700 -0.193 0.000 1.107 278 T CA 0.878 62.490 62.100 -0.813 0.000 1.118 278 T CB -0.006 68.327 68.868 -0.892 0.000 0.889 278 T HN 0.286 nan 8.240 nan 0.000 0.506 279 Q N 0.191 119.962 119.800 -0.048 0.000 2.392 279 Q HA 0.142 4.482 4.340 0.001 0.000 0.203 279 Q C 0.444 176.520 176.000 0.126 0.000 0.917 279 Q CA 0.145 55.976 55.803 0.048 0.000 0.939 279 Q CB -0.208 28.536 28.738 0.011 0.000 1.063 279 Q HN 0.693 nan 8.270 nan 0.000 0.516 280 H N 2.938 122.061 119.070 0.089 0.000 2.764 280 H HA 0.043 4.599 4.556 0.001 0.000 0.341 280 H C -1.528 173.916 175.328 0.194 0.000 1.072 280 H CA -1.611 54.515 56.048 0.130 0.000 1.444 280 H CB 1.462 31.308 29.762 0.140 0.000 1.458 280 H HN -0.130 nan 8.280 nan 0.000 0.572 281 P HA -0.152 nan 4.420 nan 0.000 0.219 281 P C 1.046 178.582 177.300 0.393 0.000 1.146 281 P CA 1.641 64.894 63.100 0.255 0.000 0.808 281 P CB 0.046 31.803 31.700 0.094 0.000 0.779 282 A N -0.591 122.608 122.820 0.632 0.000 1.898 282 A HA -0.168 4.153 4.320 0.001 0.000 0.216 282 A C 2.142 179.987 177.584 0.435 0.000 1.181 282 A CA 1.204 53.488 52.037 0.412 0.000 0.620 282 A CB -1.740 17.441 19.000 0.301 0.000 0.819 282 A HN 0.155 nan 8.150 nan 0.000 0.442 283 F N 0.460 120.612 119.950 0.336 0.000 2.146 283 F HA -0.108 4.420 4.527 0.001 0.000 0.298 283 F C 1.959 177.958 175.800 0.332 0.000 1.096 283 F CA 1.657 59.849 58.000 0.320 0.000 1.275 283 F CB -0.152 38.977 39.000 0.215 0.000 1.008 283 F HN 0.168 nan 8.300 nan 0.000 0.480 284 I N 0.278 121.139 120.570 0.486 0.000 2.142 284 I HA -0.312 3.858 4.170 0.001 0.000 0.240 284 I C 2.370 178.654 176.117 0.277 0.000 1.078 284 I CA 1.682 63.213 61.300 0.384 0.000 1.343 284 I CB -0.479 37.707 38.000 0.310 0.000 1.046 284 I HN 0.050 nan 8.210 nan 0.000 0.405 285 K N 1.426 121.962 120.400 0.227 0.000 2.097 285 K HA -0.084 4.237 4.320 0.001 0.000 0.205 285 K C 1.976 178.685 176.600 0.182 0.000 1.050 285 K CA 1.611 57.995 56.287 0.162 0.000 0.938 285 K CB -0.814 31.746 32.500 0.099 0.000 0.718 285 K HN 0.289 nan 8.250 nan 0.000 0.442 286 G N 0.465 109.396 108.800 0.219 0.000 2.418 286 G HA2 -0.273 3.688 3.960 0.001 0.000 0.217 286 G HA3 -0.273 3.688 3.960 0.001 0.000 0.217 286 G C 1.410 176.570 174.900 0.433 0.000 1.158 286 G CA 0.772 46.110 45.100 0.398 0.000 0.771 286 G HN 0.531 nan 8.290 nan 0.000 0.545 287 W N 1.268 122.522 121.300 -0.077 0.000 2.378 287 W HA -0.064 4.597 4.660 0.001 0.000 0.313 287 W C 2.196 178.736 176.519 0.035 0.000 1.197 287 W CA 1.512 58.758 57.345 -0.165 0.000 1.304 287 W CB -0.020 29.230 29.460 -0.349 0.000 1.148 287 W HN 0.333 nan 8.180 nan 0.000 0.494 288 E N 0.245 120.444 120.200 -0.001 0.000 2.153 288 E HA -0.088 4.263 4.350 0.001 0.000 0.194 288 E C 2.323 178.936 176.600 0.023 0.000 0.988 288 E CA 1.940 58.308 56.400 -0.054 0.000 0.811 288 E CB -0.879 28.881 29.700 0.100 0.000 0.746 288 E HN 0.236 nan 8.360 nan 0.000 0.466 289 G N 0.106 109.014 108.800 0.179 0.000 2.534 289 G HA2 -0.169 3.792 3.960 0.001 0.000 0.217 289 G HA3 -0.169 3.792 3.960 0.001 0.000 0.217 289 G C 1.405 176.588 174.900 0.471 0.000 1.128 289 G CA 0.421 45.722 45.100 0.335 0.000 0.784 289 G HN 0.262 nan 8.290 nan 0.000 0.542 290 L N 0.182 121.535 121.223 0.216 0.000 2.079 290 L HA -0.087 4.253 4.340 0.001 0.000 0.210 290 L C 2.805 179.819 176.870 0.240 0.000 1.081 290 L CA 0.893 55.741 54.840 0.012 0.000 0.752 290 L CB -0.233 41.655 42.059 -0.286 0.000 0.896 290 L HN 0.120 nan 8.230 nan 0.000 0.433 291 E N 0.018 120.304 120.200 0.143 0.000 2.160 291 E HA -0.250 4.101 4.350 0.001 0.000 0.195 291 E C 2.107 178.867 176.600 0.268 0.000 0.991 291 E CA 1.072 57.586 56.400 0.191 0.000 0.810 291 E CB -0.358 29.401 29.700 0.097 0.000 0.742 291 E HN 0.312 nan 8.360 nan 0.000 0.466 292 L N -0.093 121.338 121.223 0.347 0.000 2.127 292 L HA -0.183 4.158 4.340 0.001 0.000 0.211 292 L C 1.675 178.799 176.870 0.424 0.000 1.089 292 L CA 1.572 56.657 54.840 0.408 0.000 0.757 292 L CB -0.376 41.968 42.059 0.476 0.000 0.899 292 L HN 0.058 nan 8.230 nan 0.000 0.434 293 Y N -0.575 119.784 120.300 0.098 0.000 2.482 293 Y HA 0.372 4.922 4.550 0.001 0.000 0.270 293 Y C 1.584 177.186 175.900 -0.496 0.000 1.152 293 Y CA -0.292 57.671 58.100 -0.228 0.000 1.292 293 Y CB -0.684 37.411 38.460 -0.608 0.000 1.070 293 Y HN 0.135 nan 8.280 nan 0.000 0.528 294 G N 0.109 108.851 108.800 -0.096 0.000 2.420 294 G HA2 0.492 4.453 3.960 0.001 0.000 0.284 294 G HA3 0.492 4.453 3.960 0.001 0.000 0.284 294 G C -1.248 173.436 174.900 -0.359 0.000 1.177 294 G CA -0.221 44.694 45.100 -0.310 0.000 0.841 294 G HN -0.104 nan 8.290 nan 0.000 0.527 295 V N 2.128 121.608 119.914 -0.722 0.000 2.569 295 V HA 0.267 4.388 4.120 0.001 0.000 0.301 295 V C -0.676 175.169 176.094 -0.416 0.000 1.044 295 V CA -1.055 60.968 62.300 -0.461 0.000 0.874 295 V CB 1.739 33.290 31.823 -0.453 0.000 1.002 295 V HN 0.725 nan 8.190 nan 0.000 0.424 296 E N 4.756 124.875 120.200 -0.135 0.000 2.290 296 E HA 0.408 4.758 4.350 0.001 0.000 0.277 296 E C -0.645 175.854 176.600 -0.167 0.000 1.035 296 E CA -0.123 56.253 56.400 -0.041 0.000 0.873 296 E CB 1.733 31.446 29.700 0.022 0.000 1.029 296 E HN 0.491 nan 8.360 nan 0.000 0.419 297 L N 2.434 123.505 121.223 -0.254 0.000 2.360 297 L HA 0.104 4.444 4.340 0.001 0.000 0.271 297 L C 1.605 178.253 176.870 -0.370 0.000 1.057 297 L CA -0.735 53.878 54.840 -0.378 0.000 0.803 297 L CB 0.712 42.394 42.059 -0.629 0.000 1.207 297 L HN 0.437 nan 8.230 nan 0.000 0.445 298 D N 0.604 120.855 120.400 -0.249 0.000 2.182 298 D HA -0.303 4.337 4.640 0.001 0.000 0.201 298 D C 1.457 177.720 176.300 -0.061 0.000 0.986 298 D CA 1.712 55.647 54.000 -0.109 0.000 0.847 298 D CB -0.423 40.368 40.800 -0.014 0.000 0.942 298 D HN 0.648 nan 8.370 nan 0.000 0.467 299 Y N -1.906 118.386 120.300 -0.014 0.000 2.490 299 Y HA 0.502 5.053 4.550 0.001 0.000 0.281 299 Y C 1.644 177.560 175.900 0.027 0.000 1.174 299 Y CA -0.384 57.720 58.100 0.006 0.000 1.295 299 Y CB -0.125 38.329 38.460 -0.009 0.000 1.062 299 Y HN 0.104 nan 8.280 nan 0.000 0.522 300 G N -0.606 108.090 108.800 -0.174 0.000 2.168 300 G HA2 -0.147 3.813 3.960 0.001 0.000 0.197 300 G HA3 -0.147 3.813 3.960 0.001 0.000 0.197 300 G C 0.577 175.436 174.900 -0.069 0.000 0.997 300 G CA -0.304 44.767 45.100 -0.048 0.000 0.658 300 G HN 0.920 nan 8.290 nan 0.000 0.513 301 G N -1.218 107.366 108.800 -0.359 0.000 2.557 301 G HA2 0.529 4.490 3.960 0.001 0.000 0.292 301 G HA3 0.529 4.490 3.960 0.001 0.000 0.292 301 G C -0.709 174.171 174.900 -0.033 0.000 1.237 301 G CA -0.352 44.695 45.100 -0.088 0.000 0.978 301 G HN 0.919 nan 8.290 nan 0.000 0.498 302 W N 0.634 121.827 121.300 -0.178 0.000 3.129 302 W HA 0.630 5.290 4.660 0.001 0.000 0.333 302 W C -0.397 175.824 176.519 -0.497 0.000 1.141 302 W CA -1.017 56.167 57.345 -0.269 0.000 1.224 302 W CB 1.632 30.981 29.460 -0.185 0.000 1.393 302 W HN 0.703 nan 8.180 nan 0.000 0.499 303 M N 4.409 123.334 119.600 -1.124 0.000 2.716 303 M HA 0.702 5.183 4.480 0.001 0.000 0.307 303 M C -1.951 173.463 176.300 -1.476 0.000 1.223 303 M CA -0.931 53.642 55.300 -1.212 0.000 0.871 303 M CB 2.817 34.929 32.600 -0.814 0.000 1.739 303 M HN 0.424 nan 8.290 nan 0.000 0.475 304 F N 1.244 120.603 119.950 -0.984 0.000 2.493 304 F HA 0.445 4.973 4.527 0.001 0.000 0.329 304 F C -0.680 174.968 175.800 -0.252 0.000 1.126 304 F CA -0.337 57.271 58.000 -0.652 0.000 0.937 304 F CB 1.905 40.677 39.000 -0.379 0.000 1.146 304 F HN 0.661 nan 8.300 nan 0.000 0.442 305 Q N 4.759 124.193 119.800 -0.609 0.000 2.296 305 Q HA 0.325 4.666 4.340 0.001 0.000 0.262 305 Q C 0.947 176.944 176.000 -0.005 0.000 0.981 305 Q CA 0.204 55.852 55.803 -0.259 0.000 0.905 305 Q CB 1.657 30.233 28.738 -0.270 0.000 1.186 305 Q HN 0.934 nan 8.270 nan 0.000 0.399 306 A N 2.767 125.676 122.820 0.148 0.000 1.940 306 A HA -0.106 4.215 4.320 0.001 0.000 0.219 306 A C 1.089 178.838 177.584 0.275 0.000 1.176 306 A CA 1.653 53.839 52.037 0.248 0.000 0.631 306 A CB 0.207 19.384 19.000 0.295 0.000 0.814 306 A HN 0.580 nan 8.150 nan 0.000 0.446 307 S N -2.636 113.205 115.700 0.234 0.000 2.752 307 S HA 0.662 5.133 4.470 0.001 0.000 0.284 307 S C -1.305 173.364 174.600 0.113 0.000 1.189 307 S CA -0.129 58.260 58.200 0.315 0.000 0.835 307 S CB 0.969 64.377 63.200 0.346 0.000 1.192 307 S HN 0.827 nan 8.310 nan 0.000 0.506 308 I N 0.227 120.802 120.570 0.009 0.000 2.647 308 I HA 0.675 4.846 4.170 0.001 0.000 0.295 308 I C -0.041 175.762 176.117 -0.522 0.000 1.078 308 I CA -0.674 60.519 61.300 -0.179 0.000 1.048 308 I CB 2.470 40.214 38.000 -0.427 0.000 1.239 308 I HN 0.538 nan 8.210 nan 0.000 0.421 309 S N 2.461 117.844 115.700 -0.528 0.000 2.588 309 S HA 0.396 4.867 4.470 0.001 0.000 0.245 309 S C -1.553 172.738 174.600 -0.514 0.000 1.021 309 S CA -0.754 56.873 58.200 -0.955 0.000 1.006 309 S CB -0.510 62.546 63.200 -0.240 0.000 0.830 309 S HN 0.699 nan 8.310 nan 0.000 0.468 310 P HA -0.054 nan 4.420 nan 0.000 0.216 310 P C 1.547 178.757 177.300 -0.150 0.000 1.153 310 P CA 0.851 63.625 63.100 -0.543 0.000 0.848 310 P CB -0.070 30.741 31.700 -1.481 0.000 0.787 311 V N -0.186 119.648 119.914 -0.133 0.000 2.307 311 V HA -0.180 3.940 4.120 0.001 0.000 0.245 311 V C 2.522 178.714 176.094 0.163 0.000 1.045 311 V CA 1.739 64.119 62.300 0.134 0.000 1.024 311 V CB -1.513 30.375 31.823 0.109 0.000 0.651 311 V HN 0.213 nan 8.190 nan 0.000 0.449 312 W N 1.137 122.390 121.300 -0.079 0.000 2.358 312 W HA -0.182 4.479 4.660 0.001 0.000 0.303 312 W C 2.099 178.626 176.519 0.014 0.000 1.208 312 W CA 1.845 59.205 57.345 0.025 0.000 1.274 312 W CB -0.106 29.470 29.460 0.192 0.000 1.138 312 W HN 0.353 nan 8.180 nan 0.000 0.515 313 D N -0.247 120.202 120.400 0.082 0.000 2.144 313 D HA -0.143 4.498 4.640 0.001 0.000 0.200 313 D C 2.080 178.325 176.300 -0.092 0.000 0.978 313 D CA 2.009 56.011 54.000 0.005 0.000 0.833 313 D CB -0.615 40.303 40.800 0.197 0.000 0.961 313 D HN 0.117 nan 8.370 nan 0.000 0.470 314 T N 0.133 114.721 114.554 0.058 0.000 2.737 314 T HA -0.054 4.297 4.350 0.001 0.000 0.265 314 T C 2.026 176.662 174.700 -0.107 0.000 1.038 314 T CA 1.399 63.582 62.100 0.139 0.000 1.144 314 T CB -0.633 68.407 68.868 0.287 0.000 0.866 314 T HN 0.228 nan 8.240 nan 0.000 0.434 315 G N 1.602 110.315 108.800 -0.144 0.000 2.446 315 G HA2 -0.173 3.788 3.960 0.001 0.000 0.217 315 G HA3 -0.173 3.788 3.960 0.001 0.000 0.217 315 G C 1.502 176.104 174.900 -0.496 0.000 1.168 315 G CA 0.650 45.580 45.100 -0.284 0.000 0.771 315 G HN 0.438 nan 8.290 nan 0.000 0.551 316 L N 0.623 121.462 121.223 -0.639 0.000 2.083 316 L HA -0.046 4.295 4.340 0.001 0.000 0.209 316 L C 3.414 179.846 176.870 -0.730 0.000 1.083 316 L CA 0.962 55.331 54.840 -0.784 0.000 0.752 316 L CB -0.398 41.083 42.059 -0.963 0.000 0.899 316 L HN 0.320 nan 8.230 nan 0.000 0.433 317 A N -0.406 121.952 122.820 -0.770 0.000 1.933 317 A HA -0.132 4.189 4.320 0.001 0.000 0.218 317 A C 2.348 179.441 177.584 -0.819 0.000 1.175 317 A CA 1.565 52.990 52.037 -1.020 0.000 0.628 317 A CB -0.725 17.078 19.000 -1.995 0.000 0.814 317 A HN 0.185 nan 8.150 nan 0.000 0.444 318 V N 0.156 119.695 119.914 -0.624 0.000 2.295 318 V HA -0.264 3.857 4.120 0.001 0.000 0.246 318 V C 2.571 178.422 176.094 -0.404 0.000 1.049 318 V CA 2.035 64.100 62.300 -0.391 0.000 1.024 318 V CB -0.723 30.953 31.823 -0.245 0.000 0.648 318 V HN 0.584 nan 8.190 nan 0.000 0.447 319 L N -0.096 120.815 121.223 -0.520 0.000 2.083 319 L HA -0.145 4.196 4.340 0.001 0.000 0.209 319 L C 2.678 179.285 176.870 -0.439 0.000 1.083 319 L CA 1.520 56.011 54.840 -0.581 0.000 0.752 319 L CB -0.761 40.775 42.059 -0.870 0.000 0.899 319 L HN 0.369 nan 8.230 nan 0.000 0.433 320 A N -0.077 122.477 122.820 -0.443 0.000 1.898 320 A HA -0.106 4.214 4.320 0.001 0.000 0.216 320 A C 2.231 179.668 177.584 -0.246 0.000 1.181 320 A CA 1.204 53.042 52.037 -0.331 0.000 0.620 320 A CB -0.515 18.261 19.000 -0.374 0.000 0.819 320 A HN 0.341 nan 8.150 nan 0.000 0.442 321 L N -1.199 119.856 121.223 -0.279 0.000 2.109 321 L HA -0.086 4.254 4.340 0.001 0.000 0.207 321 L C 2.823 179.600 176.870 -0.156 0.000 1.086 321 L CA 0.605 55.324 54.840 -0.203 0.000 0.760 321 L CB -0.344 41.581 42.059 -0.223 0.000 0.910 321 L HN 0.247 nan 8.230 nan 0.000 0.437 322 R N 0.176 120.572 120.500 -0.172 0.000 2.066 322 R HA -0.069 4.272 4.340 0.001 0.000 0.232 322 R C 2.310 178.555 176.300 -0.092 0.000 1.131 322 R CA 1.460 57.486 56.100 -0.123 0.000 0.955 322 R CB -0.838 29.377 30.300 -0.141 0.000 0.851 322 R HN 0.320 nan 8.270 nan 0.000 0.432 323 A N 1.126 123.879 122.820 -0.112 0.000 1.940 323 A HA -0.085 4.236 4.320 0.001 0.000 0.219 323 A C 2.263 179.829 177.584 -0.030 0.000 1.176 323 A CA 1.813 53.811 52.037 -0.065 0.000 0.631 323 A CB -0.461 18.491 19.000 -0.079 0.000 0.814 323 A HN 0.355 nan 8.150 nan 0.000 0.446 324 A N -2.167 120.629 122.820 -0.040 0.000 2.119 324 A HA 0.371 4.691 4.320 0.001 0.000 0.217 324 A C 1.848 179.439 177.584 0.011 0.000 1.153 324 A CA 1.506 53.544 52.037 0.003 0.000 0.692 324 A CB -0.690 18.309 19.000 0.000 0.000 0.799 324 A HN 1.867 nan 8.150 nan 0.000 0.458 325 G N -1.953 106.840 108.800 -0.012 0.000 2.192 325 G HA2 -0.141 3.820 3.960 0.001 0.000 0.193 325 G HA3 -0.141 3.820 3.960 0.001 0.000 0.193 325 G C 0.075 174.971 174.900 -0.007 0.000 0.999 325 G CA -0.075 45.026 45.100 0.001 0.000 0.659 325 G HN 0.318 nan 8.290 nan 0.000 0.503 326 L N 1.985 123.182 121.223 -0.043 0.000 2.540 326 L HA 0.204 4.544 4.340 0.001 0.000 0.276 326 L C -1.354 175.514 176.870 -0.004 0.000 1.212 326 L CA -1.097 53.706 54.840 -0.063 0.000 0.893 326 L CB 0.464 42.400 42.059 -0.206 0.000 1.138 326 L HN 0.003 nan 8.230 nan 0.000 0.491 327 P HA -0.015 nan 4.420 nan 0.000 0.268 327 P C 0.203 177.546 177.300 0.070 0.000 1.208 327 P CA -0.107 63.034 63.100 0.067 0.000 0.777 327 P CB 0.691 32.444 31.700 0.089 0.000 0.875 328 A N 2.584 125.429 122.820 0.042 0.000 2.032 328 A HA -0.190 4.131 4.320 0.001 0.000 0.221 328 A C 1.194 178.811 177.584 0.056 0.000 1.165 328 A CA 2.082 54.141 52.037 0.036 0.000 0.645 328 A CB -1.045 17.967 19.000 0.021 0.000 0.807 328 A HN 0.665 nan 8.150 nan 0.000 0.453 329 D N -2.255 118.183 120.400 0.065 0.000 2.501 329 D HA 0.017 4.658 4.640 0.001 0.000 0.226 329 D C 0.350 176.691 176.300 0.068 0.000 1.198 329 D CA -0.540 53.494 54.000 0.057 0.000 0.830 329 D CB -1.039 39.780 40.800 0.032 0.000 1.014 329 D HN 0.473 nan 8.370 nan 0.000 0.496 330 H N 2.537 121.615 119.070 0.014 0.000 3.070 330 H HA -0.069 4.488 4.556 0.001 0.000 0.313 330 H C 1.162 176.500 175.328 0.016 0.000 0.997 330 H CA 0.863 56.920 56.048 0.015 0.000 1.438 330 H CB 1.063 30.836 29.762 0.018 0.000 1.455 330 H HN 0.170 nan 8.280 nan 0.000 0.575 331 D N 5.188 125.429 120.400 -0.264 0.000 2.203 331 D HA -0.217 4.424 4.640 0.001 0.000 0.199 331 D C 1.305 177.619 176.300 0.023 0.000 0.997 331 D CA 0.931 54.865 54.000 -0.110 0.000 0.863 331 D CB 0.145 40.848 40.800 -0.161 0.000 0.928 331 D HN 0.388 nan 8.370 nan 0.000 0.458 332 R N 0.170 120.781 120.500 0.185 0.000 2.119 332 R HA 0.184 4.525 4.340 0.001 0.000 0.222 332 R C 2.643 179.061 176.300 0.196 0.000 1.088 332 R CA 0.141 56.354 56.100 0.188 0.000 0.984 332 R CB -0.795 29.643 30.300 0.230 0.000 0.884 332 R HN 0.372 nan 8.270 nan 0.000 0.447 333 L N -0.005 121.381 121.223 0.271 0.000 2.109 333 L HA -0.069 4.271 4.340 0.001 0.000 0.207 333 L C 2.310 179.266 176.870 0.142 0.000 1.086 333 L CA 0.684 55.638 54.840 0.189 0.000 0.760 333 L CB -0.480 41.662 42.059 0.137 0.000 0.910 333 L HN -0.103 nan 8.230 nan 0.000 0.437 334 V N -0.245 119.741 119.914 0.120 0.000 2.295 334 V HA -0.259 3.861 4.120 0.001 0.000 0.246 334 V C 2.670 178.822 176.094 0.096 0.000 1.049 334 V CA 1.491 63.845 62.300 0.090 0.000 1.024 334 V CB -0.483 31.375 31.823 0.059 0.000 0.648 334 V HN 0.348 nan 8.190 nan 0.000 0.447 335 K N 0.321 120.767 120.400 0.076 0.000 2.059 335 K HA -0.226 4.094 4.320 0.001 0.000 0.212 335 K C 2.238 178.914 176.600 0.126 0.000 1.050 335 K CA 2.045 58.373 56.287 0.068 0.000 0.927 335 K CB -0.840 31.655 32.500 -0.008 0.000 0.714 335 K HN 0.493 nan 8.250 nan 0.000 0.447 336 A N 0.106 123.003 122.820 0.128 0.000 1.898 336 A HA -0.054 4.266 4.320 0.001 0.000 0.216 336 A C 2.446 180.200 177.584 0.284 0.000 1.181 336 A CA 2.076 54.241 52.037 0.213 0.000 0.620 336 A CB -0.919 18.259 19.000 0.297 0.000 0.819 336 A HN 0.423 nan 8.150 nan 0.000 0.442 337 G N -0.475 108.443 108.800 0.198 0.000 2.402 337 G HA2 -0.190 3.771 3.960 0.001 0.000 0.216 337 G HA3 -0.190 3.771 3.960 0.001 0.000 0.216 337 G C 1.420 176.429 174.900 0.183 0.000 1.162 337 G CA 0.949 46.149 45.100 0.167 0.000 0.777 337 G HN 0.643 nan 8.290 nan 0.000 0.539 338 E N -0.807 119.501 120.200 0.180 0.000 2.110 338 E HA -0.138 4.213 4.350 0.001 0.000 0.193 338 E C 2.010 178.738 176.600 0.214 0.000 0.988 338 E CA 0.736 57.233 56.400 0.162 0.000 0.804 338 E CB -0.196 29.584 29.700 0.134 0.000 0.745 338 E HN 0.656 nan 8.360 nan 0.000 0.458 339 W N 1.304 122.654 121.300 0.084 0.000 2.381 339 W HA -0.121 4.539 4.660 0.001 0.000 0.301 339 W C 1.676 178.264 176.519 0.115 0.000 1.205 339 W CA 1.119 58.526 57.345 0.103 0.000 1.285 339 W CB -0.154 29.389 29.460 0.140 0.000 1.133 339 W HN -0.052 nan 8.180 nan 0.000 0.521 340 L N 0.328 121.758 121.223 0.344 0.000 2.131 340 L HA -0.255 4.086 4.340 0.001 0.000 0.210 340 L C 2.468 179.414 176.870 0.127 0.000 1.092 340 L CA 1.098 56.026 54.840 0.147 0.000 0.759 340 L CB -0.896 41.257 42.059 0.156 0.000 0.903 340 L HN 0.086 nan 8.230 nan 0.000 0.435 341 L N -0.562 120.737 121.223 0.126 0.000 2.083 341 L HA -0.225 4.116 4.340 0.001 0.000 0.209 341 L C 1.950 178.843 176.870 0.038 0.000 1.083 341 L CA 1.025 55.944 54.840 0.132 0.000 0.752 341 L CB -0.539 41.579 42.059 0.099 0.000 0.899 341 L HN 0.276 nan 8.230 nan 0.000 0.433 342 D N -0.352 120.010 120.400 -0.062 0.000 2.348 342 D HA -0.086 4.555 4.640 0.001 0.000 0.216 342 D C 2.095 178.260 176.300 -0.224 0.000 0.970 342 D CA 0.584 54.495 54.000 -0.148 0.000 0.889 342 D CB 0.026 40.712 40.800 -0.189 0.000 0.912 342 D HN 0.205 nan 8.370 nan 0.000 0.524 343 R N 0.321 120.686 120.500 -0.227 0.000 2.276 343 R HA 0.074 4.414 4.340 0.001 0.000 0.196 343 R C 0.941 177.094 176.300 -0.245 0.000 0.961 343 R CA -0.083 55.880 56.100 -0.228 0.000 1.024 343 R CB -0.202 29.964 30.300 -0.224 0.000 0.940 343 R HN 0.341 nan 8.270 nan 0.000 0.480 344 Q N 1.107 120.698 119.800 -0.348 0.000 2.361 344 Q HA 0.138 4.479 4.340 0.001 0.000 0.276 344 Q C -0.639 175.048 176.000 -0.523 0.000 1.022 344 Q CA 0.211 55.510 55.803 -0.840 0.000 0.898 344 Q CB 0.578 28.913 28.738 -0.672 0.000 1.246 344 Q HN 0.075 nan 8.270 nan 0.000 0.410 345 I N 2.778 123.004 120.570 -0.573 0.000 2.336 345 I HA 0.138 4.309 4.170 0.001 0.000 0.292 345 I C 0.822 176.770 176.117 -0.281 0.000 0.991 345 I CA -0.242 60.838 61.300 -0.365 0.000 1.227 345 I CB 1.642 39.438 38.000 -0.340 0.000 1.366 345 I HN 0.750 nan 8.210 nan 0.000 0.466 346 T N 2.097 116.548 114.554 -0.171 0.000 3.129 346 T HA 0.303 4.654 4.350 0.001 0.000 0.267 346 T C 0.082 174.769 174.700 -0.022 0.000 1.018 346 T CA -0.338 61.707 62.100 -0.091 0.000 0.903 346 T CB -0.362 68.460 68.868 -0.078 0.000 1.067 346 T HN 0.350 nan 8.240 nan 0.000 0.549 347 V N -2.026 117.881 119.914 -0.012 0.000 2.919 347 V HA 0.806 4.927 4.120 0.001 0.000 0.316 347 V C -3.190 172.961 176.094 0.096 0.000 1.077 347 V CA -3.270 59.050 62.300 0.032 0.000 0.977 347 V CB 1.527 33.359 31.823 0.014 0.000 1.039 347 V HN -0.131 nan 8.190 nan 0.000 0.441 348 P HA 0.433 nan 4.420 nan 0.000 0.268 348 P C 0.119 177.258 177.300 -0.268 0.000 1.205 348 P CA 0.624 63.583 63.100 -0.235 0.000 0.771 348 P CB 0.735 32.254 31.700 -0.302 0.000 0.858 349 G N 1.010 109.392 108.800 -0.697 0.000 2.735 349 G HA2 0.203 4.163 3.960 0.001 0.000 0.301 349 G HA3 0.203 4.163 3.960 0.001 0.000 0.301 349 G C 0.269 174.736 174.900 -0.722 0.000 1.279 349 G CA -0.449 44.363 45.100 -0.479 0.000 1.019 349 G HN 0.245 nan 8.290 nan 0.000 0.497 350 D N -0.223 119.957 120.400 -0.367 0.000 2.203 350 D HA -0.140 4.500 4.640 0.001 0.000 0.199 350 D C 2.267 178.543 176.300 -0.039 0.000 0.997 350 D CA 1.578 55.518 54.000 -0.100 0.000 0.863 350 D CB -0.090 40.876 40.800 0.276 0.000 0.928 350 D HN 0.651 nan 8.370 nan 0.000 0.458 351 W N 0.838 122.252 121.300 0.190 0.000 2.341 351 W HA -0.108 4.552 4.660 0.001 0.000 0.283 351 W C 1.716 178.303 176.519 0.113 0.000 1.215 351 W CA 0.839 58.308 57.345 0.208 0.000 1.211 351 W CB -1.095 28.580 29.460 0.357 0.000 1.131 351 W HN -0.040 nan 8.180 nan 0.000 0.552 352 A N 1.326 123.815 122.820 -0.552 0.000 2.172 352 A HA 0.031 4.351 4.320 0.001 0.000 0.216 352 A C 2.188 179.646 177.584 -0.209 0.000 1.154 352 A CA 1.631 53.396 52.037 -0.453 0.000 0.701 352 A CB -0.747 17.754 19.000 -0.832 0.000 0.789 352 A HN 0.150 nan 8.150 nan 0.000 0.465 353 V N 0.237 120.012 119.914 -0.232 0.000 2.332 353 V HA -0.249 3.871 4.120 0.001 0.000 0.248 353 V C 2.467 178.500 176.094 -0.102 0.000 1.055 353 V CA 2.208 64.360 62.300 -0.246 0.000 1.038 353 V CB -0.430 31.104 31.823 -0.482 0.000 0.651 353 V HN 0.455 nan 8.190 nan 0.000 0.450 354 K N -0.303 120.092 120.400 -0.009 0.000 2.243 354 K HA 0.097 4.418 4.320 0.001 0.000 0.201 354 K C 0.922 177.556 176.600 0.057 0.000 1.051 354 K CA 0.516 56.823 56.287 0.032 0.000 0.970 354 K CB 0.123 32.661 32.500 0.064 0.000 0.755 354 K HN 0.271 nan 8.250 nan 0.000 0.465 355 R N 1.062 121.635 120.500 0.122 0.000 2.748 355 R HA 0.173 4.514 4.340 0.001 0.000 0.283 355 R C -2.153 174.246 176.300 0.164 0.000 1.507 355 R CA -1.417 54.787 56.100 0.174 0.000 1.666 355 R CB 0.877 31.349 30.300 0.286 0.000 1.237 355 R HN -0.027 nan 8.270 nan 0.000 0.633 356 P HA -0.056 nan 4.420 nan 0.000 0.226 356 P C 0.080 177.413 177.300 0.054 0.000 1.153 356 P CA 1.008 64.113 63.100 0.010 0.000 0.777 356 P CB 0.350 32.038 31.700 -0.020 0.000 0.794 357 N N -1.021 117.733 118.700 0.091 0.000 2.205 357 N HA 0.110 4.850 4.740 0.001 0.000 0.201 357 N C 0.122 175.721 175.510 0.150 0.000 1.128 357 N CA -0.415 52.693 53.050 0.097 0.000 0.867 357 N CB 0.070 38.596 38.487 0.065 0.000 0.996 357 N HN 0.038 nan 8.380 nan 0.000 0.503 358 L N 1.715 123.079 121.223 0.235 0.000 2.319 358 L HA 0.224 4.564 4.340 0.001 0.000 0.280 358 L C 0.243 177.356 176.870 0.404 0.000 1.099 358 L CA -0.512 54.500 54.840 0.288 0.000 0.828 358 L CB 0.558 42.792 42.059 0.292 0.000 1.150 358 L HN -0.090 nan 8.230 nan 0.000 0.442 359 K N 6.645 127.223 120.400 0.297 0.000 2.416 359 K HA 0.226 4.547 4.320 0.001 0.000 0.283 359 K C -2.246 174.570 176.600 0.360 0.000 1.037 359 K CA -1.242 55.213 56.287 0.280 0.000 0.995 359 K CB 0.472 33.077 32.500 0.175 0.000 0.938 359 K HN 0.448 nan 8.250 nan 0.000 0.475 360 P HA 0.008 nan 4.420 nan 0.000 0.265 360 P C -0.131 177.116 177.300 -0.088 0.000 1.193 360 P CA 0.163 63.381 63.100 0.197 0.000 0.765 360 P CB 0.930 32.767 31.700 0.228 0.000 0.823 361 G N 1.747 110.278 108.800 -0.449 0.000 4.802 361 G HA2 0.344 4.305 3.960 0.001 0.000 0.238 361 G HA3 0.344 4.305 3.960 0.001 0.000 0.238 361 G C 0.289 174.828 174.900 -0.602 0.000 0.974 361 G CA 0.075 44.959 45.100 -0.360 0.000 0.798 361 G HN 0.717 nan 8.290 nan 0.000 0.301 362 G N -0.217 107.910 108.800 -1.121 0.000 2.535 362 G HA2 0.626 4.586 3.960 0.001 0.000 0.303 362 G HA3 0.626 4.586 3.960 0.001 0.000 0.303 362 G C -1.088 173.338 174.900 -0.790 0.000 1.237 362 G CA -0.786 43.695 45.100 -1.032 0.000 0.986 362 G HN 0.044 nan 8.290 nan 0.000 0.494 363 F N -0.521 119.263 119.950 -0.277 0.000 2.546 363 F HA 0.667 5.194 4.527 0.001 0.000 0.320 363 F C 0.700 176.457 175.800 -0.070 0.000 1.076 363 F CA -0.662 57.256 58.000 -0.137 0.000 0.928 363 F CB 2.172 41.144 39.000 -0.046 0.000 1.189 363 F HN 0.644 nan 8.300 nan 0.000 0.465 364 A N 1.770 124.668 122.820 0.130 0.000 2.242 364 A HA 0.475 4.796 4.320 0.001 0.000 0.304 364 A C 0.211 177.929 177.584 0.223 0.000 1.100 364 A CA -0.249 51.889 52.037 0.168 0.000 0.860 364 A CB 0.210 19.285 19.000 0.126 0.000 1.168 364 A HN 0.834 nan 8.150 nan 0.000 0.503 365 F N -0.492 119.490 119.950 0.053 0.000 2.270 365 F HA 0.094 4.622 4.527 0.001 0.000 0.295 365 F C 1.165 176.930 175.800 -0.059 0.000 1.087 365 F CA 1.156 59.171 58.000 0.025 0.000 1.365 365 F CB -0.099 38.896 39.000 -0.008 0.000 1.056 365 F HN 0.616 nan 8.300 nan 0.000 0.506 366 Q N -0.970 118.821 119.800 -0.015 0.000 2.173 366 Q HA 0.216 4.557 4.340 0.001 0.000 0.186 366 Q C 0.867 176.683 176.000 -0.306 0.000 1.018 366 Q CA -0.243 55.408 55.803 -0.253 0.000 1.064 366 Q CB -0.075 28.652 28.738 -0.018 0.000 1.130 366 Q HN 0.134 nan 8.270 nan 0.000 0.553 367 F N 0.028 119.838 119.950 -0.233 0.000 2.163 367 F HA 0.016 4.544 4.527 0.001 0.000 0.297 367 F C 0.205 175.889 175.800 -0.194 0.000 1.094 367 F CA 1.086 58.943 58.000 -0.239 0.000 1.290 367 F CB 0.447 39.277 39.000 -0.284 0.000 1.017 367 F HN 0.283 nan 8.300 nan 0.000 0.483 368 D N -0.333 120.091 120.400 0.040 0.000 2.386 368 D HA 0.145 4.786 4.640 0.001 0.000 0.247 368 D C -1.119 175.139 176.300 -0.070 0.000 1.336 368 D CA -0.052 53.916 54.000 -0.053 0.000 0.976 368 D CB 1.001 41.758 40.800 -0.072 0.000 1.257 368 D HN -0.028 nan 8.370 nan 0.000 0.570 369 N N 2.215 120.866 118.700 -0.081 0.000 2.700 369 N HA 0.006 4.747 4.740 0.001 0.000 0.242 369 N C 0.792 176.236 175.510 -0.111 0.000 1.541 369 N CA -0.283 52.742 53.050 -0.041 0.000 0.764 369 N CB 0.685 39.237 38.487 0.108 0.000 1.319 369 N HN 0.129 nan 8.380 nan 0.000 0.518 370 V N -0.258 119.443 119.914 -0.355 0.000 2.626 370 V HA -0.041 4.079 4.120 0.001 0.000 0.252 370 V C 1.179 177.050 176.094 -0.372 0.000 1.067 370 V CA 1.248 63.291 62.300 -0.430 0.000 1.081 370 V CB -1.046 30.433 31.823 -0.573 0.000 0.686 370 V HN 0.284 nan 8.190 nan 0.000 0.468 371 Y N -0.653 119.552 120.300 -0.159 0.000 2.546 371 Y HA 0.309 4.860 4.550 0.001 0.000 0.287 371 Y C 0.738 176.290 175.900 -0.580 0.000 1.158 371 Y CA -0.486 57.366 58.100 -0.414 0.000 1.307 371 Y CB -0.532 37.558 38.460 -0.616 0.000 1.036 371 Y HN 0.391 nan 8.280 nan 0.000 0.532 372 Y N 0.740 121.221 120.300 0.302 0.000 2.473 372 Y HA 0.355 4.905 4.550 0.001 0.000 0.345 372 Y C -2.475 173.670 175.900 0.409 0.000 0.932 372 Y CA -3.718 54.636 58.100 0.422 0.000 1.124 372 Y CB 0.030 38.690 38.460 0.334 0.000 1.162 372 Y HN -0.095 nan 8.280 nan 0.000 0.629 373 P HA 0.049 nan 4.420 nan 0.000 0.269 373 P C -0.442 177.014 177.300 0.259 0.000 1.215 373 P CA 0.295 63.470 63.100 0.126 0.000 0.780 373 P CB 1.610 33.111 31.700 -0.332 0.000 0.898 374 D N 0.503 120.957 120.400 0.090 0.000 2.433 374 D HA 0.113 4.754 4.640 0.001 0.000 0.236 374 D C 0.785 177.146 176.300 0.102 0.000 1.026 374 D CA -0.854 53.096 54.000 -0.083 0.000 0.884 374 D CB 1.787 42.229 40.800 -0.596 0.000 1.384 374 D HN -0.003 nan 8.370 nan 0.000 0.477 375 V N 1.226 121.199 119.914 0.099 0.000 2.427 375 V HA -0.211 3.909 4.120 0.001 0.000 0.248 375 V C 1.896 178.003 176.094 0.022 0.000 1.051 375 V CA 1.800 64.169 62.300 0.116 0.000 1.048 375 V CB -0.605 31.238 31.823 0.034 0.000 0.666 375 V HN 0.637 nan 8.190 nan 0.000 0.456 376 D N 0.129 120.499 120.400 -0.049 0.000 2.084 376 D HA -0.168 4.472 4.640 0.001 0.000 0.194 376 D C 2.039 178.470 176.300 0.217 0.000 0.990 376 D CA 1.368 55.386 54.000 0.031 0.000 0.826 376 D CB -0.245 40.418 40.800 -0.228 0.000 0.971 376 D HN 0.389 nan 8.370 nan 0.000 0.453 377 D N -0.645 119.861 120.400 0.176 0.000 2.123 377 D HA -0.109 4.532 4.640 0.001 0.000 0.196 377 D C 1.874 178.308 176.300 0.224 0.000 0.992 377 D CA 1.219 55.415 54.000 0.326 0.000 0.833 377 D CB -0.109 40.868 40.800 0.296 0.000 0.954 377 D HN 0.238 nan 8.370 nan 0.000 0.455 378 T N 1.000 115.695 114.554 0.235 0.000 2.746 378 T HA -0.106 4.245 4.350 0.001 0.000 0.267 378 T C 2.071 176.882 174.700 0.185 0.000 1.039 378 T CA 1.397 63.678 62.100 0.303 0.000 1.142 378 T CB -0.194 68.897 68.868 0.370 0.000 0.866 378 T HN 0.175 nan 8.240 nan 0.000 0.444 379 A N 0.948 123.838 122.820 0.117 0.000 1.877 379 A HA -0.036 4.285 4.320 0.001 0.000 0.216 379 A C 2.586 180.275 177.584 0.174 0.000 1.186 379 A CA 1.318 53.386 52.037 0.052 0.000 0.620 379 A CB -1.015 17.928 19.000 -0.096 0.000 0.822 379 A HN 0.346 nan 8.150 nan 0.000 0.443 380 V N -0.406 119.614 119.914 0.175 0.000 2.427 380 V HA -0.196 3.924 4.120 0.001 0.000 0.248 380 V C 2.538 178.624 176.094 -0.014 0.000 1.051 380 V CA 1.897 64.261 62.300 0.107 0.000 1.048 380 V CB -0.509 31.274 31.823 -0.068 0.000 0.666 380 V HN 0.374 nan 8.190 nan 0.000 0.456 381 V N -0.650 119.209 119.914 -0.092 0.000 2.379 381 V HA -0.152 3.969 4.120 0.001 0.000 0.245 381 V C 2.378 178.373 176.094 -0.165 0.000 1.044 381 V CA 1.515 63.630 62.300 -0.308 0.000 1.036 381 V CB -0.109 31.169 31.823 -0.909 0.000 0.664 381 V HN 0.392 nan 8.190 nan 0.000 0.453 382 V N -0.902 119.027 119.914 0.025 0.000 2.343 382 V HA -0.244 3.876 4.120 0.001 0.000 0.247 382 V C 2.097 178.411 176.094 0.368 0.000 1.051 382 V CA 2.121 64.578 62.300 0.261 0.000 1.036 382 V CB -0.670 31.393 31.823 0.400 0.000 0.654 382 V HN 0.791 nan 8.190 nan 0.000 0.451 383 W N 1.421 122.776 121.300 0.091 0.000 2.333 383 W HA -0.222 4.439 4.660 0.001 0.000 0.316 383 W C 2.555 179.033 176.519 -0.069 0.000 1.215 383 W CA 2.066 59.415 57.345 0.006 0.000 1.278 383 W CB -1.024 28.416 29.460 -0.033 0.000 1.154 383 W HN 0.229 nan 8.180 nan 0.000 0.486 384 A N 0.500 123.292 122.820 -0.046 0.000 1.908 384 A HA -0.212 4.109 4.320 0.001 0.000 0.218 384 A C 2.325 179.868 177.584 -0.069 0.000 1.181 384 A CA 2.092 54.004 52.037 -0.209 0.000 0.627 384 A CB -1.163 17.686 19.000 -0.251 0.000 0.818 384 A HN 0.385 nan 8.150 nan 0.000 0.445 385 L N -0.607 120.621 121.223 0.009 0.000 2.141 385 L HA -0.172 4.169 4.340 0.001 0.000 0.209 385 L C 2.375 179.286 176.870 0.068 0.000 1.094 385 L CA 1.363 56.237 54.840 0.056 0.000 0.763 385 L CB -0.512 41.610 42.059 0.105 0.000 0.908 385 L HN 0.440 nan 8.230 nan 0.000 0.437 386 N N -0.227 118.515 118.700 0.070 0.000 2.453 386 N HA -0.151 4.590 4.740 0.001 0.000 0.183 386 N C 1.661 177.147 175.510 -0.040 0.000 1.041 386 N CA 1.523 54.549 53.050 -0.040 0.000 0.900 386 N CB 0.012 38.285 38.487 -0.357 0.000 0.961 386 N HN 0.365 nan 8.380 nan 0.000 0.443 387 T N -2.656 111.887 114.554 -0.019 0.000 3.129 387 T HA 0.221 4.572 4.350 0.001 0.000 0.251 387 T C 0.620 175.309 174.700 -0.019 0.000 1.117 387 T CA -0.087 61.994 62.100 -0.032 0.000 1.034 387 T CB -0.099 68.721 68.868 -0.080 0.000 0.968 387 T HN -0.034 nan 8.240 nan 0.000 0.526 388 L N 1.302 122.526 121.223 0.001 0.000 2.334 388 L HA 0.658 4.998 4.340 0.001 0.000 0.273 388 L C -0.108 176.782 176.870 0.033 0.000 1.013 388 L CA -1.372 53.480 54.840 0.020 0.000 0.816 388 L CB 1.698 43.777 42.059 0.033 0.000 1.278 388 L HN -0.076 nan 8.230 nan 0.000 0.431 389 R N 3.703 124.225 120.500 0.037 0.000 2.337 389 R HA 0.606 4.946 4.340 0.001 0.000 0.319 389 R C -1.002 175.324 176.300 0.043 0.000 0.954 389 R CA -0.479 55.644 56.100 0.038 0.000 0.840 389 R CB 1.236 31.554 30.300 0.030 0.000 1.164 389 R HN 0.514 nan 8.270 nan 0.000 0.472 390 L N 3.851 125.103 121.223 0.047 0.000 2.334 390 L HA 0.532 4.872 4.340 0.001 0.000 0.270 390 L C -0.977 175.918 176.870 0.041 0.000 1.018 390 L CA -1.990 52.880 54.840 0.050 0.000 0.811 390 L CB 1.470 43.566 42.059 0.062 0.000 1.271 390 L HN 0.239 nan 8.230 nan 0.000 0.443 391 P HA -0.105 nan 4.420 nan 0.000 0.220 391 P C 0.119 177.437 177.300 0.030 0.000 1.152 391 P CA 0.872 63.990 63.100 0.029 0.000 0.812 391 P CB 0.218 31.933 31.700 0.025 0.000 0.792 392 D N 0.609 121.031 120.400 0.036 0.000 2.522 392 D HA 0.028 4.669 4.640 0.001 0.000 0.218 392 D C 1.020 177.346 176.300 0.043 0.000 1.149 392 D CA -0.063 53.959 54.000 0.036 0.000 0.981 392 D CB -0.010 40.812 40.800 0.037 0.000 1.041 392 D HN 0.117 nan 8.370 nan 0.000 0.518 393 E N 1.707 121.930 120.200 0.039 0.000 2.208 393 E HA -0.148 4.203 4.350 0.001 0.000 0.193 393 E C 2.023 178.650 176.600 0.046 0.000 0.988 393 E CA 0.404 56.830 56.400 0.043 0.000 0.828 393 E CB 0.365 30.087 29.700 0.036 0.000 0.763 393 E HN 0.459 nan 8.360 nan 0.000 0.478 394 R N 0.508 121.031 120.500 0.038 0.000 2.090 394 R HA -0.085 4.255 4.340 0.001 0.000 0.228 394 R C 2.168 178.494 176.300 0.044 0.000 1.110 394 R CA 1.162 57.284 56.100 0.037 0.000 0.973 394 R CB -0.396 29.921 30.300 0.027 0.000 0.869 394 R HN -0.048 nan 8.270 nan 0.000 0.440 395 R N 0.932 121.460 120.500 0.045 0.000 2.096 395 R HA -0.070 4.271 4.340 0.001 0.000 0.235 395 R C 2.566 178.911 176.300 0.074 0.000 1.127 395 R CA 1.564 57.695 56.100 0.052 0.000 0.968 395 R CB -0.214 30.114 30.300 0.046 0.000 0.861 395 R HN 0.255 nan 8.270 nan 0.000 0.440 396 R N 0.168 120.717 120.500 0.081 0.000 2.073 396 R HA -0.105 4.235 4.340 0.001 0.000 0.234 396 R C 2.197 178.570 176.300 0.122 0.000 1.134 396 R CA 1.698 57.861 56.100 0.105 0.000 0.952 396 R CB -0.063 30.294 30.300 0.094 0.000 0.850 396 R HN 0.214 nan 8.270 nan 0.000 0.433 397 R N 0.285 120.845 120.500 0.100 0.000 2.081 397 R HA -0.129 4.212 4.340 0.001 0.000 0.235 397 R C 2.126 178.479 176.300 0.088 0.000 1.131 397 R CA 1.527 57.687 56.100 0.099 0.000 0.960 397 R CB -0.503 29.837 30.300 0.067 0.000 0.856 397 R HN 0.404 nan 8.270 nan 0.000 0.436 398 D N 0.449 120.893 120.400 0.072 0.000 2.106 398 D HA -0.192 4.448 4.640 0.001 0.000 0.191 398 D C 1.761 178.114 176.300 0.089 0.000 0.997 398 D CA 1.780 55.818 54.000 0.064 0.000 0.834 398 D CB 0.104 40.934 40.800 0.051 0.000 0.956 398 D HN 0.255 nan 8.370 nan 0.000 0.448 399 A N 0.560 123.451 122.820 0.118 0.000 1.898 399 A HA -0.136 4.185 4.320 0.001 0.000 0.216 399 A C 2.360 180.082 177.584 0.229 0.000 1.181 399 A CA 1.313 53.448 52.037 0.165 0.000 0.620 399 A CB -0.514 18.610 19.000 0.207 0.000 0.819 399 A HN 0.241 nan 8.150 nan 0.000 0.442 400 M N -0.764 118.978 119.600 0.235 0.000 2.175 400 M HA -0.117 4.363 4.480 0.001 0.000 0.264 400 M C 2.209 178.632 176.300 0.204 0.000 1.063 400 M CA 1.850 57.327 55.300 0.296 0.000 1.119 400 M CB -0.721 32.107 32.600 0.380 0.000 1.377 400 M HN 0.436 nan 8.290 nan 0.000 0.415 401 T N 0.556 115.175 114.554 0.108 0.000 2.674 401 T HA -0.137 4.214 4.350 0.001 0.000 0.265 401 T C 1.809 176.590 174.700 0.135 0.000 1.039 401 T CA 1.327 63.453 62.100 0.042 0.000 1.150 401 T CB -0.166 68.706 68.868 0.006 0.000 0.864 401 T HN 0.322 nan 8.240 nan 0.000 0.427 402 K N 0.443 120.923 120.400 0.133 0.000 2.063 402 K HA -0.043 4.277 4.320 0.001 0.000 0.208 402 K C 2.537 179.262 176.600 0.210 0.000 1.048 402 K CA 1.298 57.668 56.287 0.138 0.000 0.928 402 K CB -0.479 32.063 32.500 0.071 0.000 0.713 402 K HN 0.380 nan 8.250 nan 0.000 0.442 403 G N 0.326 109.278 108.800 0.253 0.000 2.394 403 G HA2 -0.248 3.713 3.960 0.001 0.000 0.214 403 G HA3 -0.248 3.713 3.960 0.001 0.000 0.214 403 G C 1.339 176.472 174.900 0.390 0.000 1.176 403 G CA 0.328 45.627 45.100 0.333 0.000 0.786 403 G HN 0.225 nan 8.290 nan 0.000 0.533 404 F N 1.750 121.817 119.950 0.194 0.000 2.069 404 F HA -0.083 4.444 4.527 0.001 0.000 0.298 404 F C 2.912 178.822 175.800 0.183 0.000 1.113 404 F CA 1.867 59.967 58.000 0.167 0.000 1.214 404 F CB -0.101 38.847 39.000 -0.086 0.000 0.978 404 F HN -0.013 nan 8.300 nan 0.000 0.474 405 R N -1.428 119.339 120.500 0.446 0.000 2.115 405 R HA -0.210 4.131 4.340 0.001 0.000 0.230 405 R C 2.056 178.491 176.300 0.226 0.000 1.111 405 R CA 1.514 57.798 56.100 0.308 0.000 0.976 405 R CB -0.931 29.508 30.300 0.232 0.000 0.870 405 R HN 0.516 nan 8.270 nan 0.000 0.445 406 W N 1.615 122.950 121.300 0.058 0.000 2.379 406 W HA -0.091 4.570 4.660 0.001 0.000 0.307 406 W C 1.656 178.164 176.519 -0.019 0.000 1.200 406 W CA 1.204 58.516 57.345 -0.054 0.000 1.297 406 W CB -0.250 29.119 29.460 -0.152 0.000 1.140 406 W HN -0.103 nan 8.180 nan 0.000 0.507 407 I N -0.154 120.493 120.570 0.128 0.000 2.151 407 I HA -0.379 3.792 4.170 0.001 0.000 0.243 407 I C 2.208 178.422 176.117 0.162 0.000 1.080 407 I CA 1.621 62.912 61.300 -0.014 0.000 1.339 407 I CB -1.201 36.747 38.000 -0.085 0.000 1.039 407 I HN -0.179 nan 8.210 nan 0.000 0.409 408 V N 1.151 121.178 119.914 0.189 0.000 2.282 408 V HA -0.278 3.842 4.120 0.001 0.000 0.249 408 V C 2.566 178.703 176.094 0.071 0.000 1.057 408 V CA 2.356 64.786 62.300 0.216 0.000 1.032 408 V CB -1.478 30.447 31.823 0.171 0.000 0.645 408 V HN 0.613 nan 8.190 nan 0.000 0.447 409 G N -1.089 107.689 108.800 -0.037 0.000 2.470 409 G HA2 -0.193 3.767 3.960 0.001 0.000 0.220 409 G HA3 -0.193 3.767 3.960 0.001 0.000 0.220 409 G C 1.303 176.066 174.900 -0.228 0.000 1.121 409 G CA 0.508 45.537 45.100 -0.119 0.000 0.766 409 G HN 0.376 nan 8.290 nan 0.000 0.553 410 M N 0.275 119.687 119.600 -0.313 0.000 2.495 410 M HA 0.192 4.673 4.480 0.001 0.000 0.237 410 M C 1.021 177.116 176.300 -0.342 0.000 1.131 410 M CA -0.231 54.853 55.300 -0.360 0.000 1.032 410 M CB -0.411 31.803 32.600 -0.644 0.000 1.513 410 M HN 0.280 nan 8.290 nan 0.000 0.488 411 Q N 1.209 120.721 119.800 -0.480 0.000 2.311 411 Q HA 0.088 4.429 4.340 0.001 0.000 0.272 411 Q C -0.407 175.170 176.000 -0.705 0.000 1.012 411 Q CA 0.164 55.287 55.803 -1.133 0.000 0.891 411 Q CB 0.846 28.987 28.738 -0.995 0.000 1.201 411 Q HN 0.174 nan 8.270 nan 0.000 0.391 412 S N 1.752 117.020 115.700 -0.720 0.000 2.614 412 S HA 0.068 4.539 4.470 0.001 0.000 0.265 412 S C 1.044 175.418 174.600 -0.378 0.000 1.303 412 S CA -0.639 57.307 58.200 -0.422 0.000 1.000 412 S CB 1.404 64.401 63.200 -0.338 0.000 0.935 412 S HN 0.765 nan 8.310 nan 0.000 0.551 413 S N 2.218 117.774 115.700 -0.241 0.000 2.400 413 S HA -0.144 4.326 4.470 0.001 0.000 0.232 413 S C 1.707 176.203 174.600 -0.173 0.000 1.025 413 S CA 1.419 59.510 58.200 -0.182 0.000 0.993 413 S CB -0.453 62.678 63.200 -0.116 0.000 0.808 413 S HN 0.835 nan 8.310 nan 0.000 0.478 414 N N 0.737 119.328 118.700 -0.182 0.000 2.461 414 N HA 0.142 4.883 4.740 0.001 0.000 0.188 414 N C 1.022 176.426 175.510 -0.176 0.000 1.134 414 N CA 0.993 53.972 53.050 -0.118 0.000 0.878 414 N CB -0.293 38.179 38.487 -0.025 0.000 0.972 414 N HN 0.396 nan 8.380 nan 0.000 0.456 415 G N -2.104 106.489 108.800 -0.346 0.000 2.234 415 G HA2 -0.163 3.797 3.960 0.001 0.000 0.235 415 G HA3 -0.163 3.797 3.960 0.001 0.000 0.235 415 G C 0.350 174.879 174.900 -0.618 0.000 0.997 415 G CA -0.003 44.863 45.100 -0.389 0.000 0.623 415 G HN 0.803 nan 8.290 nan 0.000 0.514 416 G N -1.445 106.808 108.800 -0.912 0.000 2.531 416 G HA2 0.527 4.487 3.960 0.001 0.000 0.313 416 G HA3 0.527 4.487 3.960 0.001 0.000 0.313 416 G C -0.439 174.052 174.900 -0.681 0.000 1.238 416 G CA -0.696 43.849 45.100 -0.926 0.000 0.994 416 G HN 0.251 nan 8.290 nan 0.000 0.493 417 W N -0.290 120.817 121.300 -0.322 0.000 2.632 417 W HA 0.520 5.180 4.660 0.001 0.000 0.328 417 W C 0.426 176.902 176.519 -0.071 0.000 1.044 417 W CA -0.781 56.452 57.345 -0.186 0.000 1.225 417 W CB 2.046 31.405 29.460 -0.169 0.000 1.396 417 W HN 0.795 nan 8.180 nan 0.000 0.499 418 G N 0.559 109.464 108.800 0.176 0.000 2.543 418 G HA2 0.427 4.388 3.960 0.001 0.000 0.290 418 G HA3 0.427 4.388 3.960 0.001 0.000 0.290 418 G C 0.606 175.667 174.900 0.270 0.000 1.310 418 G CA 0.184 45.441 45.100 0.262 0.000 1.025 418 G HN 0.524 nan 8.290 nan 0.000 0.502 419 A N -1.447 121.565 122.820 0.319 0.000 1.874 419 A HA 0.190 4.511 4.320 0.001 0.000 0.214 419 A C 1.758 179.274 177.584 -0.113 0.000 1.189 419 A CA 1.247 53.289 52.037 0.009 0.000 0.615 419 A CB -0.265 18.661 19.000 -0.123 0.000 0.830 419 A HN 0.625 nan 8.150 nan 0.000 0.443 420 Y N -1.285 119.218 120.300 0.338 0.000 2.452 420 Y HA 0.289 4.840 4.550 0.001 0.000 0.262 420 Y C -0.085 176.033 175.900 0.363 0.000 1.089 420 Y CA -0.536 57.797 58.100 0.389 0.000 1.262 420 Y CB 0.869 39.587 38.460 0.429 0.000 1.236 420 Y HN 0.118 nan 8.280 nan 0.000 0.512 421 D N -0.697 119.946 120.400 0.406 0.000 2.581 421 D HA 0.387 5.027 4.640 0.001 0.000 0.232 421 D C -1.073 175.315 176.300 0.146 0.000 1.143 421 D CA -0.421 53.757 54.000 0.296 0.000 0.881 421 D CB 3.422 44.394 40.800 0.287 0.000 1.500 421 D HN -0.344 nan 8.370 nan 0.000 0.458 422 V N 1.598 121.565 119.914 0.087 0.000 2.546 422 V HA 0.086 4.206 4.120 0.001 0.000 0.284 422 V C -0.086 176.011 176.094 0.005 0.000 1.050 422 V CA -0.224 62.069 62.300 -0.012 0.000 0.981 422 V CB 0.865 32.666 31.823 -0.038 0.000 0.990 422 V HN 0.603 nan 8.190 nan 0.000 0.474 423 D N 2.907 123.284 120.400 -0.039 0.000 2.692 423 D HA -0.209 4.431 4.640 0.001 0.000 0.233 423 D C 0.561 176.869 176.300 0.014 0.000 1.172 423 D CA 0.771 54.755 54.000 -0.026 0.000 0.636 423 D CB -0.987 39.791 40.800 -0.036 0.000 1.028 423 D HN 0.721 nan 8.370 nan 0.000 0.419 424 N N 0.586 119.312 118.700 0.042 0.000 3.245 424 N HA 0.045 4.785 4.740 0.001 0.000 0.296 424 N C 0.530 176.057 175.510 0.028 0.000 1.254 424 N CA 0.432 53.511 53.050 0.049 0.000 1.190 424 N CB 0.206 38.745 38.487 0.087 0.000 1.460 424 N HN 0.247 nan 8.380 nan 0.000 0.538 425 T N -3.000 111.557 114.554 0.005 0.000 3.091 425 T HA 0.085 4.435 4.350 0.001 0.000 0.277 425 T C 0.677 175.363 174.700 -0.022 0.000 0.996 425 T CA -0.436 61.663 62.100 -0.001 0.000 0.897 425 T CB 0.245 69.113 68.868 0.001 0.000 1.109 425 T HN 0.081 nan 8.240 nan 0.000 0.534 426 S N 1.383 117.055 115.700 -0.046 0.000 2.552 426 S HA 0.077 4.548 4.470 0.001 0.000 0.289 426 S C 0.595 175.149 174.600 -0.076 0.000 1.304 426 S CA -0.240 57.921 58.200 -0.064 0.000 1.063 426 S CB 0.157 63.296 63.200 -0.102 0.000 0.848 426 S HN 0.286 nan 8.310 nan 0.000 0.499 427 D N 4.064 124.443 120.400 -0.036 0.000 2.340 427 D HA 0.107 4.747 4.640 0.001 0.000 0.220 427 D C 1.600 177.919 176.300 0.031 0.000 1.039 427 D CA 0.321 54.323 54.000 0.003 0.000 0.866 427 D CB 0.077 40.917 40.800 0.068 0.000 0.913 427 D HN 0.483 nan 8.370 nan 0.000 0.523 428 L N 0.749 121.942 121.223 -0.050 0.000 2.072 428 L HA -0.052 4.288 4.340 0.001 0.000 0.205 428 L C -0.464 176.212 176.870 -0.323 0.000 1.079 428 L CA 1.099 55.880 54.840 -0.098 0.000 0.752 428 L CB -1.379 40.628 42.059 -0.087 0.000 0.906 428 L HN -0.018 nan 8.230 nan 0.000 0.436 429 P HA -0.126 nan 4.420 nan 0.000 0.218 429 P C 0.887 177.956 177.300 -0.384 0.000 1.148 429 P CA 1.143 63.879 63.100 -0.607 0.000 0.822 429 P CB -0.105 31.004 31.700 -0.985 0.000 0.784 430 N N -1.466 117.016 118.700 -0.363 0.000 2.453 430 N HA -0.121 4.619 4.740 0.001 0.000 0.183 430 N C 1.070 176.283 175.510 -0.494 0.000 1.041 430 N CA 0.994 53.803 53.050 -0.402 0.000 0.900 430 N CB -0.534 37.668 38.487 -0.475 0.000 0.961 430 N HN 0.425 nan 8.380 nan 0.000 0.443 431 H N 0.220 119.123 119.070 -0.278 0.000 2.586 431 H HA 0.208 4.764 4.556 0.001 0.000 0.273 431 H C 0.834 175.971 175.328 -0.318 0.000 0.997 431 H CA -0.235 55.675 56.048 -0.230 0.000 1.177 431 H CB 0.968 30.645 29.762 -0.141 0.000 1.471 431 H HN 0.257 nan 8.280 nan 0.000 0.538 432 I N -0.141 120.227 120.570 -0.337 0.000 2.472 432 I HA 0.226 4.397 4.170 0.001 0.000 0.290 432 I C -1.623 174.501 176.117 0.012 0.000 1.016 432 I CA -2.254 58.933 61.300 -0.188 0.000 1.348 432 I CB 1.889 39.761 38.000 -0.214 0.000 1.417 432 I HN -0.292 nan 8.210 nan 0.000 0.521 433 P HA -0.193 nan 4.420 nan 0.000 0.222 433 P C 1.479 178.825 177.300 0.076 0.000 1.147 433 P CA 1.228 64.386 63.100 0.096 0.000 0.790 433 P CB -0.087 31.697 31.700 0.140 0.000 0.780 434 F N 1.021 120.949 119.950 -0.036 0.000 2.202 434 F HA -0.120 4.408 4.527 0.001 0.000 0.301 434 F C 1.026 176.740 175.800 -0.144 0.000 1.082 434 F CA 1.034 58.975 58.000 -0.098 0.000 1.313 434 F CB -0.465 38.475 39.000 -0.100 0.000 1.024 434 F HN -0.152 nan 8.300 nan 0.000 0.495 435 C N 2.806 122.054 119.300 -0.087 0.000 2.865 435 C HA 0.186 4.646 4.460 0.001 0.000 0.545 435 C C 0.904 175.795 174.990 -0.165 0.000 1.154 435 C CA -0.177 58.753 59.018 -0.146 0.000 1.375 435 C CB -2.042 25.707 27.740 0.014 0.000 1.627 435 C HN 0.509 nan 8.230 nan 0.000 0.623 436 D N -0.667 119.602 120.400 -0.218 0.000 2.368 436 D HA 0.092 4.732 4.640 0.001 0.000 0.218 436 D C -0.112 176.185 176.300 -0.005 0.000 1.112 436 D CA -0.153 53.785 54.000 -0.103 0.000 0.834 436 D CB 0.009 40.758 40.800 -0.085 0.000 0.953 436 D HN 0.399 nan 8.370 nan 0.000 0.505 437 F N 0.606 120.425 119.950 -0.219 0.000 2.573 437 F HA 0.510 5.038 4.527 0.001 0.000 0.316 437 F C 0.540 176.222 175.800 -0.196 0.000 1.148 437 F CA 0.544 58.470 58.000 -0.123 0.000 0.940 437 F CB 1.607 40.586 39.000 -0.034 0.000 1.214 437 F HN 0.207 nan 8.300 nan 0.000 0.448 438 G N 4.289 112.609 108.800 -0.800 0.000 2.698 438 G HA2 -0.122 3.839 3.960 0.001 0.000 0.233 438 G HA3 -0.122 3.839 3.960 0.001 0.000 0.233 438 G C -1.169 173.325 174.900 -0.677 0.000 1.352 438 G CA -0.594 43.881 45.100 -1.042 0.000 0.879 438 G HN 0.719 nan 8.290 nan 0.000 0.567 439 E N -0.010 119.707 120.200 -0.804 0.000 2.231 439 E HA 0.436 4.787 4.350 0.001 0.000 0.277 439 E C 1.283 177.939 176.600 0.093 0.000 0.999 439 E CA 0.097 56.393 56.400 -0.173 0.000 0.827 439 E CB 1.648 31.416 29.700 0.113 0.000 1.101 439 E HN 1.327 nan 8.360 nan 0.000 0.393 440 V N -1.257 118.735 119.914 0.130 0.000 3.477 440 V HA 0.204 4.324 4.120 0.001 0.000 0.297 440 V C 0.474 176.591 176.094 0.038 0.000 1.433 440 V CA 0.146 62.556 62.300 0.184 0.000 1.052 440 V CB 0.145 32.056 31.823 0.146 0.000 0.895 440 V HN 0.610 nan 8.190 nan 0.000 0.438 441 T N -2.572 112.023 114.554 0.069 0.000 2.907 441 T HA 0.660 5.010 4.350 0.001 0.000 0.290 441 T C -0.925 173.888 174.700 0.189 0.000 1.066 441 T CA 0.018 62.117 62.100 -0.001 0.000 1.012 441 T CB 2.394 71.238 68.868 -0.040 0.000 1.184 441 T HN 0.146 nan 8.240 nan 0.000 0.522 442 D N 1.835 122.325 120.400 0.150 0.000 2.749 442 D HA 0.364 5.005 4.640 0.001 0.000 0.338 442 D C -2.459 174.009 176.300 0.279 0.000 1.236 442 D CA -1.961 52.258 54.000 0.364 0.000 0.845 442 D CB 0.528 41.506 40.800 0.297 0.000 1.080 442 D HN 0.303 nan 8.370 nan 0.000 0.497 443 P HA 0.319 nan 4.420 nan 0.000 0.276 443 P C -2.616 174.789 177.300 0.176 0.000 1.252 443 P CA -1.429 61.759 63.100 0.146 0.000 0.802 443 P CB 0.149 31.914 31.700 0.108 0.000 1.035 444 P HA 0.055 nan 4.420 nan 0.000 0.268 444 P C -0.085 177.348 177.300 0.221 0.000 1.208 444 P CA 0.504 63.644 63.100 0.066 0.000 0.777 444 P CB 0.186 31.739 31.700 -0.245 0.000 0.875 445 S N 0.037 115.909 115.700 0.287 0.000 2.632 445 S HA 0.407 4.878 4.470 0.001 0.000 0.289 445 S C 0.631 175.467 174.600 0.394 0.000 1.115 445 S CA -0.619 57.806 58.200 0.373 0.000 0.889 445 S CB 1.737 65.136 63.200 0.332 0.000 1.116 445 S HN 0.217 nan 8.310 nan 0.000 0.486 446 E N 1.040 121.450 120.200 0.350 0.000 2.107 446 E HA -0.077 4.274 4.350 0.001 0.000 0.191 446 E C 1.412 178.024 176.600 0.020 0.000 0.982 446 E CA 1.581 58.115 56.400 0.223 0.000 0.809 446 E CB -0.166 29.634 29.700 0.166 0.000 0.756 446 E HN 0.816 nan 8.360 nan 0.000 0.459 447 D N 0.445 120.853 120.400 0.015 0.000 2.117 447 D HA -0.125 4.516 4.640 0.001 0.000 0.198 447 D C 1.916 178.053 176.300 -0.271 0.000 0.982 447 D CA 0.850 54.722 54.000 -0.213 0.000 0.828 447 D CB -0.660 40.119 40.800 -0.034 0.000 0.967 447 D HN 0.122 nan 8.370 nan 0.000 0.464 448 V N 0.941 120.886 119.914 0.053 0.000 2.407 448 V HA -0.210 3.911 4.120 0.001 0.000 0.248 448 V C 2.636 178.700 176.094 -0.050 0.000 1.055 448 V CA 2.133 64.473 62.300 0.066 0.000 1.049 448 V CB -0.957 30.971 31.823 0.176 0.000 0.662 448 V HN 0.299 nan 8.190 nan 0.000 0.455 449 T N 0.456 115.028 114.554 0.030 0.000 2.746 449 T HA -0.146 4.205 4.350 0.001 0.000 0.267 449 T C 2.114 176.715 174.700 -0.165 0.000 1.039 449 T CA 1.569 63.695 62.100 0.043 0.000 1.142 449 T CB -0.443 68.571 68.868 0.243 0.000 0.866 449 T HN 0.569 nan 8.240 nan 0.000 0.444 450 A N 1.409 124.092 122.820 -0.228 0.000 1.873 450 A HA -0.225 4.096 4.320 0.001 0.000 0.218 450 A C 1.924 179.336 177.584 -0.286 0.000 1.193 450 A CA 2.063 53.909 52.037 -0.317 0.000 0.629 450 A CB -1.113 17.618 19.000 -0.448 0.000 0.826 450 A HN 0.715 nan 8.150 nan 0.000 0.447 451 H N -1.373 117.574 119.070 -0.205 0.000 2.353 451 H HA -0.088 4.468 4.556 0.001 0.000 0.300 451 H C 2.123 177.239 175.328 -0.353 0.000 1.090 451 H CA 1.040 56.984 56.048 -0.174 0.000 1.327 451 H CB -0.085 29.675 29.762 -0.003 0.000 1.383 451 H HN 0.274 nan 8.280 nan 0.000 0.508 452 V N 0.706 120.360 119.914 -0.433 0.000 2.282 452 V HA -0.258 3.862 4.120 0.001 0.000 0.249 452 V C 2.234 177.737 176.094 -0.986 0.000 1.057 452 V CA 1.458 63.193 62.300 -0.941 0.000 1.032 452 V CB -0.433 30.428 31.823 -1.603 0.000 0.645 452 V HN 0.269 nan 8.190 nan 0.000 0.447 453 L N -0.249 120.601 121.223 -0.623 0.000 2.046 453 L HA -0.160 4.181 4.340 0.001 0.000 0.208 453 L C 2.427 179.117 176.870 -0.300 0.000 1.077 453 L CA 1.749 56.378 54.840 -0.352 0.000 0.747 453 L CB -1.073 40.871 42.059 -0.191 0.000 0.896 453 L HN 0.425 nan 8.230 nan 0.000 0.432 454 E N -1.756 118.197 120.200 -0.412 0.000 2.077 454 E HA -0.268 4.083 4.350 0.001 0.000 0.193 454 E C 2.378 178.449 176.600 -0.882 0.000 0.989 454 E CA 1.441 57.457 56.400 -0.640 0.000 0.800 454 E CB -0.408 28.797 29.700 -0.824 0.000 0.746 454 E HN 0.589 nan 8.360 nan 0.000 0.452 455 C N 0.713 119.584 119.300 -0.716 0.000 2.393 455 C HA -0.196 4.265 4.460 0.001 0.000 0.276 455 C C 2.431 177.496 174.990 0.124 0.000 1.215 455 C CA 0.759 59.555 59.018 -0.370 0.000 1.743 455 C CB -1.161 26.480 27.740 -0.164 0.000 2.044 455 C HN 0.336 nan 8.230 nan 0.000 0.464 456 F N 1.669 121.629 119.950 0.017 0.000 2.171 456 F HA 0.081 4.609 4.527 0.001 0.000 0.300 456 F C 2.666 178.700 175.800 0.389 0.000 1.090 456 F CA 1.394 59.571 58.000 0.295 0.000 1.293 456 F CB -1.728 37.367 39.000 0.158 0.000 1.013 456 F HN 0.392 nan 8.300 nan 0.000 0.486 457 G N -0.806 108.168 108.800 0.289 0.000 2.443 457 G HA2 -0.221 3.739 3.960 0.001 0.000 0.219 457 G HA3 -0.221 3.739 3.960 0.001 0.000 0.219 457 G C 1.779 176.731 174.900 0.088 0.000 1.131 457 G CA 1.088 46.288 45.100 0.166 0.000 0.775 457 G HN 0.457 nan 8.290 nan 0.000 0.547 458 S N 0.031 115.710 115.700 -0.034 0.000 2.447 458 S HA 0.036 4.507 4.470 0.001 0.000 0.233 458 S C 1.782 176.307 174.600 -0.124 0.000 1.006 458 S CA 0.622 58.741 58.200 -0.135 0.000 0.957 458 S CB -0.466 62.550 63.200 -0.307 0.000 0.773 458 S HN 0.226 nan 8.310 nan 0.000 0.507 459 F N 1.662 121.718 119.950 0.177 0.000 2.765 459 F HA 0.427 4.954 4.527 0.001 0.000 0.302 459 F C 1.966 177.760 175.800 -0.010 0.000 1.111 459 F CA 0.176 58.261 58.000 0.141 0.000 1.359 459 F CB 0.133 39.313 39.000 0.300 0.000 1.097 459 F HN 0.415 nan 8.300 nan 0.000 0.577 460 G N -0.813 108.088 108.800 0.168 0.000 2.144 460 G HA2 -0.289 3.672 3.960 0.001 0.000 0.218 460 G HA3 -0.289 3.672 3.960 0.001 0.000 0.218 460 G C -0.018 174.876 174.900 -0.009 0.000 0.988 460 G CA -0.641 44.471 45.100 0.020 0.000 0.659 460 G HN 0.292 nan 8.290 nan 0.000 0.522 461 Y N 1.677 122.085 120.300 0.180 0.000 2.326 461 Y HA 0.482 5.033 4.550 0.001 0.000 0.333 461 Y C 0.979 177.012 175.900 0.222 0.000 1.240 461 Y CA 0.715 58.930 58.100 0.192 0.000 1.365 461 Y CB 0.963 39.592 38.460 0.282 0.000 1.289 461 Y HN 0.490 nan 8.280 nan 0.000 0.548 462 D N -1.340 119.306 120.400 0.410 0.000 2.825 462 D HA 0.084 4.725 4.640 0.001 0.000 0.327 462 D C -0.626 175.851 176.300 0.294 0.000 1.277 462 D CA -0.670 53.499 54.000 0.281 0.000 0.950 462 D CB -0.051 40.851 40.800 0.170 0.000 1.438 462 D HN 0.409 nan 8.370 nan 0.000 0.526 463 D N -0.822 119.699 120.400 0.203 0.000 2.323 463 D HA 0.197 4.838 4.640 0.001 0.000 0.239 463 D C 1.327 177.730 176.300 0.172 0.000 1.129 463 D CA 0.327 54.433 54.000 0.177 0.000 0.865 463 D CB -0.330 40.546 40.800 0.126 0.000 0.913 463 D HN 0.472 nan 8.370 nan 0.000 0.517 464 A N -0.385 122.552 122.820 0.196 0.000 2.119 464 A HA 0.024 4.345 4.320 0.001 0.000 0.217 464 A C 0.559 178.309 177.584 0.277 0.000 1.153 464 A CA -0.019 52.129 52.037 0.186 0.000 0.692 464 A CB -0.693 18.394 19.000 0.145 0.000 0.799 464 A HN 0.397 nan 8.150 nan 0.000 0.458 465 W N 1.048 122.408 121.300 0.101 0.000 2.338 465 W HA 0.473 5.133 4.660 0.001 0.000 0.307 465 W C 0.923 177.477 176.519 0.059 0.000 1.167 465 W CA -1.607 55.788 57.345 0.083 0.000 1.208 465 W CB 1.046 30.567 29.460 0.101 0.000 1.228 465 W HN 0.127 nan 8.180 nan 0.000 0.499 466 K N 2.685 123.147 120.400 0.104 0.000 2.103 466 K HA -0.166 4.155 4.320 0.001 0.000 0.207 466 K C 1.688 178.109 176.600 -0.298 0.000 1.048 466 K CA 1.782 58.028 56.287 -0.070 0.000 0.930 466 K CB -0.069 32.422 32.500 -0.014 0.000 0.716 466 K HN 0.433 nan 8.250 nan 0.000 0.444 467 V N 1.340 120.812 119.914 -0.737 0.000 2.282 467 V HA -0.298 3.822 4.120 0.001 0.000 0.249 467 V C 2.134 177.946 176.094 -0.471 0.000 1.057 467 V CA 1.924 63.743 62.300 -0.801 0.000 1.032 467 V CB -0.362 30.554 31.823 -1.512 0.000 0.645 467 V HN 0.333 nan 8.190 nan 0.000 0.447 468 I N -0.734 119.570 120.570 -0.444 0.000 2.353 468 I HA -0.206 3.965 4.170 0.001 0.000 0.248 468 I C 2.721 178.836 176.117 -0.003 0.000 1.119 468 I CA 1.431 62.694 61.300 -0.062 0.000 1.417 468 I CB -0.395 37.678 38.000 0.121 0.000 1.078 468 I HN 0.199 nan 8.210 nan 0.000 0.421 469 R N 1.098 121.587 120.500 -0.019 0.000 2.083 469 R HA -0.167 4.173 4.340 0.001 0.000 0.237 469 R C 2.477 178.773 176.300 -0.006 0.000 1.137 469 R CA 1.569 57.675 56.100 0.010 0.000 0.951 469 R CB -0.085 30.224 30.300 0.015 0.000 0.851 469 R HN 0.252 nan 8.270 nan 0.000 0.434 470 R N -0.478 119.989 120.500 -0.054 0.000 2.092 470 R HA -0.062 4.279 4.340 0.001 0.000 0.231 470 R C 2.285 178.579 176.300 -0.009 0.000 1.119 470 R CA 1.222 57.288 56.100 -0.057 0.000 0.970 470 R CB -0.249 29.973 30.300 -0.130 0.000 0.864 470 R HN 0.262 nan 8.270 nan 0.000 0.440 471 A N 0.620 123.444 122.820 0.005 0.000 1.898 471 A HA -0.095 4.226 4.320 0.001 0.000 0.216 471 A C 2.313 179.993 177.584 0.161 0.000 1.181 471 A CA 1.199 53.306 52.037 0.116 0.000 0.620 471 A CB -0.420 18.724 19.000 0.240 0.000 0.819 471 A HN 0.107 nan 8.150 nan 0.000 0.442 472 V N -0.066 119.908 119.914 0.100 0.000 2.427 472 V HA -0.239 3.882 4.120 0.001 0.000 0.248 472 V C 2.477 178.613 176.094 0.070 0.000 1.051 472 V CA 2.206 64.558 62.300 0.087 0.000 1.048 472 V CB -0.608 31.265 31.823 0.084 0.000 0.666 472 V HN 0.730 nan 8.190 nan 0.000 0.456 473 E N -0.729 119.505 120.200 0.057 0.000 2.106 473 E HA -0.265 4.086 4.350 0.001 0.000 0.192 473 E C 2.153 178.789 176.600 0.060 0.000 0.984 473 E CA 1.531 57.947 56.400 0.028 0.000 0.806 473 E CB -0.204 29.508 29.700 0.019 0.000 0.750 473 E HN 0.737 nan 8.360 nan 0.000 0.458 474 Y N 1.159 121.453 120.300 -0.010 0.000 2.145 474 Y HA -0.214 4.336 4.550 0.001 0.000 0.286 474 Y C 1.885 177.823 175.900 0.062 0.000 1.145 474 Y CA 1.670 59.774 58.100 0.006 0.000 1.148 474 Y CB -0.327 38.124 38.460 -0.015 0.000 0.981 474 Y HN -0.000 nan 8.280 nan 0.000 0.507 475 L N 0.224 121.441 121.223 -0.010 0.000 2.083 475 L HA -0.226 4.115 4.340 0.001 0.000 0.209 475 L C 2.439 179.444 176.870 0.225 0.000 1.083 475 L CA 1.690 56.520 54.840 -0.017 0.000 0.752 475 L CB -0.527 41.498 42.059 -0.057 0.000 0.899 475 L HN 0.198 nan 8.230 nan 0.000 0.433 476 K N -0.152 120.303 120.400 0.092 0.000 2.057 476 K HA -0.132 4.189 4.320 0.001 0.000 0.206 476 K C 2.235 178.800 176.600 -0.058 0.000 1.050 476 K CA 1.121 57.406 56.287 -0.003 0.000 0.935 476 K CB -0.125 32.252 32.500 -0.204 0.000 0.715 476 K HN 0.255 nan 8.250 nan 0.000 0.439 477 R N 0.767 121.215 120.500 -0.087 0.000 2.120 477 R HA -0.087 4.253 4.340 0.001 0.000 0.234 477 R C 1.660 177.881 176.300 -0.132 0.000 1.123 477 R CA 0.926 56.962 56.100 -0.107 0.000 0.975 477 R CB 0.003 30.250 30.300 -0.088 0.000 0.866 477 R HN 0.175 nan 8.270 nan 0.000 0.446 478 E N 0.708 120.814 120.200 -0.158 0.000 2.442 478 E HA -0.037 4.314 4.350 0.001 0.000 0.195 478 E C 0.314 176.846 176.600 -0.114 0.000 1.030 478 E CA 0.132 56.450 56.400 -0.137 0.000 0.869 478 E CB 0.065 29.622 29.700 -0.239 0.000 0.857 478 E HN 0.332 nan 8.360 nan 0.000 0.505 479 Q N 1.858 121.532 119.800 -0.210 0.000 2.286 479 Q HA -0.042 4.299 4.340 0.001 0.000 0.290 479 Q C -0.193 175.522 176.000 -0.475 0.000 1.049 479 Q CA 0.228 55.587 55.803 -0.740 0.000 0.923 479 Q CB 0.568 28.854 28.738 -0.755 0.000 1.183 479 Q HN -0.239 nan 8.270 nan 0.000 0.383 480 K N 4.524 124.620 120.400 -0.507 0.000 2.168 480 K HA 0.111 4.431 4.320 0.001 0.000 0.258 480 K C -1.766 174.651 176.600 -0.305 0.000 1.010 480 K CA -1.819 54.273 56.287 -0.325 0.000 0.929 480 K CB 0.042 32.356 32.500 -0.310 0.000 0.998 480 K HN 0.470 nan 8.250 nan 0.000 0.479 481 P HA -0.194 nan 4.420 nan 0.000 0.217 481 P C 0.464 177.680 177.300 -0.140 0.000 1.148 481 P CA 1.450 64.462 63.100 -0.148 0.000 0.828 481 P CB 0.144 31.785 31.700 -0.097 0.000 0.783 482 D N -2.168 118.136 120.400 -0.160 0.000 2.349 482 D HA 0.067 4.707 4.640 0.001 0.000 0.224 482 D C 1.422 177.631 176.300 -0.151 0.000 1.029 482 D CA 0.806 54.765 54.000 -0.068 0.000 0.879 482 D CB -0.808 40.037 40.800 0.074 0.000 0.906 482 D HN 0.259 nan 8.370 nan 0.000 0.528 483 G N -0.167 108.421 108.800 -0.353 0.000 2.179 483 G HA2 -0.248 3.712 3.960 0.001 0.000 0.220 483 G HA3 -0.248 3.712 3.960 0.001 0.000 0.220 483 G C 0.391 174.832 174.900 -0.766 0.000 0.990 483 G CA 0.298 45.132 45.100 -0.444 0.000 0.646 483 G HN 0.811 nan 8.290 nan 0.000 0.517 484 S N -0.503 114.601 115.700 -0.993 0.000 2.669 484 S HA 0.734 5.205 4.470 0.001 0.000 0.270 484 S C -0.063 174.143 174.600 -0.657 0.000 1.225 484 S CA -0.540 57.004 58.200 -1.094 0.000 0.991 484 S CB 1.516 63.729 63.200 -1.645 0.000 0.987 484 S HN 0.454 nan 8.310 nan 0.000 0.552 485 W N 0.545 121.714 121.300 -0.219 0.000 2.736 485 W HA 0.421 5.082 4.660 0.001 0.000 0.335 485 W C -0.370 176.225 176.519 0.127 0.000 1.059 485 W CA -1.357 55.978 57.345 -0.016 0.000 1.226 485 W CB 1.524 30.948 29.460 -0.061 0.000 1.416 485 W HN 0.718 nan 8.180 nan 0.000 0.505 486 F N 1.590 121.672 119.950 0.221 0.000 2.553 486 F HA 0.370 4.898 4.527 0.001 0.000 0.356 486 F C 0.762 176.549 175.800 -0.022 0.000 1.142 486 F CA 0.663 58.629 58.000 -0.057 0.000 1.322 486 F CB 0.649 39.662 39.000 0.022 0.000 1.126 486 F HN 0.232 nan 8.300 nan 0.000 0.599 487 G N 4.975 113.313 108.800 -0.769 0.000 2.671 487 G HA2 0.351 4.311 3.960 0.001 0.000 0.318 487 G HA3 0.351 4.311 3.960 0.001 0.000 0.318 487 G C 0.242 174.808 174.900 -0.556 0.000 1.250 487 G CA -0.638 44.243 45.100 -0.365 0.000 1.028 487 G HN 0.761 nan 8.290 nan 0.000 0.501 488 R N 2.160 122.514 120.500 -0.243 0.000 2.073 488 R HA 0.036 4.377 4.340 0.001 0.000 0.229 488 R C 0.893 176.894 176.300 -0.497 0.000 1.120 488 R CA 1.369 57.283 56.100 -0.311 0.000 0.967 488 R CB -0.152 30.036 30.300 -0.186 0.000 0.862 488 R HN 0.646 nan 8.270 nan 0.000 0.436 489 W N -0.973 120.277 121.300 -0.083 0.000 3.008 489 W HA 0.521 5.181 4.660 0.001 0.000 0.355 489 W C 0.257 176.540 176.519 -0.394 0.000 1.095 489 W CA 0.008 57.248 57.345 -0.175 0.000 1.738 489 W CB 0.820 30.217 29.460 -0.104 0.000 1.091 489 W HN 0.163 nan 8.180 nan 0.000 0.574 490 G N 0.262 108.687 108.800 -0.624 0.000 2.659 490 G HA2 0.453 4.413 3.960 0.001 0.000 0.296 490 G HA3 0.453 4.413 3.960 0.001 0.000 0.296 490 G C -1.604 172.991 174.900 -0.509 0.000 1.369 490 G CA -0.805 43.566 45.100 -1.216 0.000 0.937 490 G HN -0.104 nan 8.290 nan 0.000 0.485 491 V N 0.954 120.831 119.914 -0.063 0.000 2.407 491 V HA 0.679 4.800 4.120 0.001 0.000 0.278 491 V C 0.128 176.334 176.094 0.187 0.000 1.037 491 V CA -0.199 62.183 62.300 0.137 0.000 0.900 491 V CB 1.198 33.171 31.823 0.251 0.000 0.983 491 V HN 0.863 nan 8.190 nan 0.000 0.459 492 N N 4.606 123.319 118.700 0.023 0.000 3.379 492 N HA 0.183 4.924 4.740 0.001 0.000 0.197 492 N C 1.049 176.361 175.510 -0.329 0.000 1.350 492 N CA 0.811 53.654 53.050 -0.345 0.000 1.140 492 N CB -0.245 37.711 38.487 -0.885 0.000 1.164 492 N HN 0.565 nan 8.380 nan 0.000 0.627 493 Y N 1.113 121.384 120.300 -0.048 0.000 2.224 493 Y HA 0.058 4.609 4.550 0.001 0.000 0.289 493 Y C 2.030 178.003 175.900 0.122 0.000 1.146 493 Y CA 0.647 58.744 58.100 -0.006 0.000 1.182 493 Y CB -0.330 38.130 38.460 -0.000 0.000 0.983 493 Y HN 0.159 nan 8.280 nan 0.000 0.524 494 L N -1.246 120.239 121.223 0.437 0.000 2.042 494 L HA -0.262 4.079 4.340 0.001 0.000 0.210 494 L C 2.221 179.233 176.870 0.236 0.000 1.076 494 L CA 1.661 56.740 54.840 0.398 0.000 0.749 494 L CB -1.547 40.742 42.059 0.384 0.000 0.893 494 L HN 0.301 nan 8.230 nan 0.000 0.432 495 Y N 0.050 120.334 120.300 -0.027 0.000 2.163 495 Y HA -0.093 4.458 4.550 0.001 0.000 0.288 495 Y C 2.339 178.012 175.900 -0.378 0.000 1.136 495 Y CA 1.731 59.544 58.100 -0.479 0.000 1.147 495 Y CB -0.606 37.479 38.460 -0.624 0.000 0.987 495 Y HN 0.135 nan 8.280 nan 0.000 0.509 496 G N -1.481 107.234 108.800 -0.143 0.000 2.402 496 G HA2 -0.193 3.768 3.960 0.001 0.000 0.216 496 G HA3 -0.193 3.768 3.960 0.001 0.000 0.216 496 G C 1.625 176.460 174.900 -0.109 0.000 1.162 496 G CA 1.330 46.336 45.100 -0.156 0.000 0.777 496 G HN 0.414 nan 8.290 nan 0.000 0.539 497 T N 0.968 115.538 114.554 0.027 0.000 2.777 497 T HA -0.003 4.348 4.350 0.001 0.000 0.266 497 T C 2.508 177.197 174.700 -0.017 0.000 1.040 497 T CA 1.339 63.516 62.100 0.128 0.000 1.141 497 T CB -0.533 68.401 68.868 0.111 0.000 0.868 497 T HN 0.329 nan 8.240 nan 0.000 0.444 498 G N 1.313 110.065 108.800 -0.079 0.000 2.446 498 G HA2 -0.087 3.874 3.960 0.001 0.000 0.217 498 G HA3 -0.087 3.874 3.960 0.001 0.000 0.217 498 G C 1.856 176.619 174.900 -0.228 0.000 1.168 498 G CA 0.970 45.993 45.100 -0.127 0.000 0.771 498 G HN 0.572 nan 8.290 nan 0.000 0.551 499 A N 0.015 122.592 122.820 -0.404 0.000 1.883 499 A HA 0.032 4.353 4.320 0.001 0.000 0.217 499 A C 2.628 179.989 177.584 -0.372 0.000 1.186 499 A CA 2.063 53.844 52.037 -0.427 0.000 0.624 499 A CB -0.738 17.836 19.000 -0.711 0.000 0.822 499 A HN 0.289 nan 8.150 nan 0.000 0.444 500 V N -0.505 119.142 119.914 -0.446 0.000 2.358 500 V HA -0.194 3.926 4.120 0.001 0.000 0.246 500 V C 2.561 178.381 176.094 -0.457 0.000 1.047 500 V CA 1.872 63.810 62.300 -0.603 0.000 1.035 500 V CB -0.633 30.477 31.823 -1.189 0.000 0.658 500 V HN 0.370 nan 8.190 nan 0.000 0.452 501 V N -0.178 119.553 119.914 -0.305 0.000 2.358 501 V HA -0.209 3.911 4.120 0.001 0.000 0.246 501 V C 2.558 178.575 176.094 -0.129 0.000 1.047 501 V CA 2.139 64.340 62.300 -0.165 0.000 1.035 501 V CB -0.661 31.131 31.823 -0.050 0.000 0.658 501 V HN 0.552 nan 8.190 nan 0.000 0.452 502 S N 0.608 116.237 115.700 -0.119 0.000 2.365 502 S HA -0.255 4.216 4.470 0.001 0.000 0.225 502 S C 2.218 176.755 174.600 -0.105 0.000 1.039 502 S CA 1.679 59.833 58.200 -0.076 0.000 1.033 502 S CB -0.565 62.614 63.200 -0.035 0.000 0.887 502 S HN 0.669 nan 8.310 nan 0.000 0.447 503 A N 1.225 123.948 122.820 -0.162 0.000 1.898 503 A HA 0.042 4.363 4.320 0.001 0.000 0.216 503 A C 2.151 179.659 177.584 -0.127 0.000 1.181 503 A CA 1.097 53.028 52.037 -0.176 0.000 0.620 503 A CB -0.694 18.169 19.000 -0.228 0.000 0.819 503 A HN 0.443 nan 8.150 nan 0.000 0.442 504 L N -0.769 120.376 121.223 -0.130 0.000 2.083 504 L HA -0.184 4.156 4.340 0.001 0.000 0.209 504 L C 2.578 179.426 176.870 -0.036 0.000 1.083 504 L CA 1.784 56.583 54.840 -0.068 0.000 0.752 504 L CB -0.366 41.646 42.059 -0.079 0.000 0.899 504 L HN 0.380 nan 8.230 nan 0.000 0.433 505 K N 0.791 121.161 120.400 -0.050 0.000 2.057 505 K HA -0.147 4.173 4.320 0.001 0.000 0.207 505 K C 2.013 178.603 176.600 -0.017 0.000 1.049 505 K CA 1.604 57.875 56.287 -0.027 0.000 0.931 505 K CB -0.301 32.183 32.500 -0.028 0.000 0.714 505 K HN 0.217 nan 8.250 nan 0.000 0.440 506 A N 0.233 123.029 122.820 -0.039 0.000 1.969 506 A HA -0.060 4.260 4.320 0.001 0.000 0.218 506 A C 1.845 179.430 177.584 0.002 0.000 1.169 506 A CA 1.596 53.606 52.037 -0.044 0.000 0.635 506 A CB -0.581 18.342 19.000 -0.128 0.000 0.810 506 A HN 0.315 nan 8.150 nan 0.000 0.445 507 V N -3.837 116.091 119.914 0.024 0.000 3.421 507 V HA 0.564 4.684 4.120 0.001 0.000 0.316 507 V C 1.114 177.261 176.094 0.090 0.000 1.347 507 V CA 0.454 62.809 62.300 0.092 0.000 1.183 507 V CB -0.930 30.967 31.823 0.123 0.000 1.092 507 V HN 1.419 nan 8.190 nan 0.000 0.433 508 G N 0.672 109.506 108.800 0.057 0.000 2.143 508 G HA2 -0.208 3.753 3.960 0.001 0.000 0.249 508 G HA3 -0.208 3.753 3.960 0.001 0.000 0.249 508 G C -0.057 174.876 174.900 0.056 0.000 0.981 508 G CA 0.146 45.279 45.100 0.055 0.000 0.665 508 G HN 0.490 nan 8.290 nan 0.000 0.528 509 I N 1.107 121.710 120.570 0.055 0.000 2.754 509 I HA 0.150 4.321 4.170 0.001 0.000 0.285 509 I C 0.649 176.786 176.117 0.034 0.000 1.166 509 I CA -0.826 60.511 61.300 0.062 0.000 1.417 509 I CB 0.589 38.634 38.000 0.076 0.000 1.382 509 I HN 0.107 nan 8.210 nan 0.000 0.588 510 D N 4.452 124.877 120.400 0.041 0.000 2.342 510 D HA 0.000 4.641 4.640 0.001 0.000 0.260 510 D C 1.324 177.617 176.300 -0.012 0.000 1.278 510 D CA -0.037 53.976 54.000 0.022 0.000 0.910 510 D CB 0.736 41.558 40.800 0.037 0.000 1.079 510 D HN 0.657 nan 8.370 nan 0.000 0.496 511 T N 1.382 115.920 114.554 -0.027 0.000 3.077 511 T HA -0.094 4.257 4.350 0.001 0.000 0.269 511 T C 1.551 176.218 174.700 -0.055 0.000 1.146 511 T CA 0.623 62.688 62.100 -0.059 0.000 1.091 511 T CB -0.039 68.805 68.868 -0.040 0.000 0.892 511 T HN 0.341 nan 8.240 nan 0.000 0.533 512 R N 0.909 121.394 120.500 -0.025 0.000 2.275 512 R HA 0.166 4.506 4.340 0.001 0.000 0.199 512 R C 0.667 176.963 176.300 -0.007 0.000 0.989 512 R CA 0.133 56.227 56.100 -0.010 0.000 1.016 512 R CB 0.012 30.317 30.300 0.007 0.000 0.918 512 R HN 0.592 nan 8.270 nan 0.000 0.473 513 E N 1.356 121.548 120.200 -0.014 0.000 2.502 513 E HA -0.066 4.285 4.350 0.001 0.000 0.261 513 E C -1.778 174.829 176.600 0.011 0.000 0.974 513 E CA -1.237 55.183 56.400 0.032 0.000 0.936 513 E CB 0.585 30.341 29.700 0.094 0.000 0.926 513 E HN -0.054 nan 8.360 nan 0.000 0.459 514 P HA -0.235 nan 4.420 nan 0.000 0.216 514 P C 1.122 178.478 177.300 0.092 0.000 1.154 514 P CA 1.544 64.691 63.100 0.079 0.000 0.865 514 P CB -0.133 31.624 31.700 0.095 0.000 0.789 515 Y N -1.224 119.098 120.300 0.036 0.000 2.293 515 Y HA -0.064 4.487 4.550 0.001 0.000 0.291 515 Y C 1.967 177.913 175.900 0.076 0.000 1.137 515 Y CA 0.857 58.975 58.100 0.029 0.000 1.202 515 Y CB -1.692 36.791 38.460 0.038 0.000 0.990 515 Y HN -0.102 nan 8.280 nan 0.000 0.537 516 I N 0.498 120.757 120.570 -0.519 0.000 2.353 516 I HA -0.210 3.961 4.170 0.001 0.000 0.248 516 I C 2.357 178.426 176.117 -0.079 0.000 1.119 516 I CA 0.963 62.078 61.300 -0.309 0.000 1.417 516 I CB -0.445 37.318 38.000 -0.394 0.000 1.078 516 I HN 0.242 nan 8.210 nan 0.000 0.421 517 Q N 0.830 120.595 119.800 -0.058 0.000 2.226 517 Q HA -0.233 4.108 4.340 0.001 0.000 0.204 517 Q C 2.108 178.132 176.000 0.039 0.000 0.975 517 Q CA 1.286 57.091 55.803 0.004 0.000 0.866 517 Q CB -0.257 28.486 28.738 0.009 0.000 0.915 517 Q HN 0.506 nan 8.270 nan 0.000 0.440 518 K N 0.434 120.855 120.400 0.036 0.000 2.062 518 K HA -0.058 4.262 4.320 0.001 0.000 0.205 518 K C 2.047 178.702 176.600 0.092 0.000 1.051 518 K CA 0.989 57.308 56.287 0.054 0.000 0.941 518 K CB -0.027 32.487 32.500 0.023 0.000 0.719 518 K HN 0.100 nan 8.250 nan 0.000 0.440 519 A N 1.431 124.286 122.820 0.059 0.000 1.908 519 A HA -0.151 4.169 4.320 0.001 0.000 0.218 519 A C 2.110 179.838 177.584 0.239 0.000 1.181 519 A CA 1.429 53.534 52.037 0.113 0.000 0.627 519 A CB -0.667 18.443 19.000 0.184 0.000 0.818 519 A HN 0.328 nan 8.150 nan 0.000 0.445 520 L N -0.627 120.694 121.223 0.164 0.000 2.093 520 L HA -0.165 4.175 4.340 0.001 0.000 0.208 520 L C 2.005 178.982 176.870 0.178 0.000 1.085 520 L CA 1.277 56.211 54.840 0.156 0.000 0.755 520 L CB -0.591 41.522 42.059 0.089 0.000 0.904 520 L HN 0.291 nan 8.230 nan 0.000 0.435 521 D N -0.863 119.633 120.400 0.160 0.000 2.117 521 D HA -0.223 4.418 4.640 0.001 0.000 0.198 521 D C 1.698 178.104 176.300 0.176 0.000 0.982 521 D CA 0.954 55.034 54.000 0.133 0.000 0.828 521 D CB -0.251 40.605 40.800 0.094 0.000 0.967 521 D HN 0.386 nan 8.370 nan 0.000 0.464 522 W N 1.652 122.990 121.300 0.063 0.000 2.335 522 W HA -0.264 4.396 4.660 0.001 0.000 0.311 522 W C 2.122 178.798 176.519 0.262 0.000 1.213 522 W CA 1.523 58.942 57.345 0.124 0.000 1.274 522 W CB -0.365 29.164 29.460 0.115 0.000 1.148 522 W HN -0.230 nan 8.180 nan 0.000 0.498 523 V N 1.130 121.358 119.914 0.523 0.000 2.255 523 V HA -0.354 3.767 4.120 0.001 0.000 0.247 523 V C 2.263 178.570 176.094 0.355 0.000 1.051 523 V CA 2.480 64.989 62.300 0.348 0.000 1.018 523 V CB -1.049 30.914 31.823 0.234 0.000 0.641 523 V HN 0.240 nan 8.190 nan 0.000 0.445 524 E N 0.294 120.650 120.200 0.260 0.000 2.077 524 E HA -0.289 4.062 4.350 0.001 0.000 0.193 524 E C 2.239 178.870 176.600 0.053 0.000 0.989 524 E CA 1.609 58.146 56.400 0.229 0.000 0.800 524 E CB -0.204 29.576 29.700 0.132 0.000 0.746 524 E HN 0.856 nan 8.360 nan 0.000 0.452 525 Q N -0.221 119.524 119.800 -0.093 0.000 2.472 525 Q HA -0.085 4.255 4.340 0.001 0.000 0.208 525 Q C 0.667 176.380 176.000 -0.477 0.000 0.958 525 Q CA 1.110 56.743 55.803 -0.284 0.000 0.932 525 Q CB -0.126 28.408 28.738 -0.340 0.000 1.007 525 Q HN 0.421 nan 8.270 nan 0.000 0.508 526 H N -0.026 118.900 119.070 -0.239 0.000 2.594 526 H HA 0.196 4.752 4.556 0.001 0.000 0.279 526 H C -0.280 174.842 175.328 -0.343 0.000 1.042 526 H CA -0.451 55.423 56.048 -0.289 0.000 1.177 526 H CB 0.621 30.116 29.762 -0.445 0.000 1.524 526 H HN 0.266 nan 8.280 nan 0.000 0.537 527 Q N 1.828 121.372 119.800 -0.426 0.000 2.274 527 Q HA -0.030 4.311 4.340 0.001 0.000 0.280 527 Q C -0.264 175.327 176.000 -0.682 0.000 1.047 527 Q CA -0.341 54.792 55.803 -1.116 0.000 0.907 527 Q CB 0.480 28.614 28.738 -1.006 0.000 1.171 527 Q HN 0.373 nan 8.270 nan 0.000 0.381 528 N N 4.416 122.704 118.700 -0.688 0.000 2.415 528 N HA 0.032 4.773 4.740 0.001 0.000 0.248 528 N C -1.902 173.402 175.510 -0.343 0.000 1.271 528 N CA -1.223 51.583 53.050 -0.407 0.000 0.913 528 N CB 0.519 38.802 38.487 -0.339 0.000 1.129 528 N HN 0.487 nan 8.380 nan 0.000 0.444 529 P HA -0.101 nan 4.420 nan 0.000 0.220 529 P C 0.364 177.588 177.300 -0.126 0.000 1.148 529 P CA 1.037 64.041 63.100 -0.160 0.000 0.803 529 P CB 0.126 31.760 31.700 -0.110 0.000 0.782 530 D N -1.755 118.577 120.400 -0.113 0.000 2.363 530 D HA 0.039 4.679 4.640 0.001 0.000 0.226 530 D C 1.534 177.835 176.300 0.001 0.000 1.020 530 D CA 0.856 54.849 54.000 -0.012 0.000 0.892 530 D CB -0.884 39.972 40.800 0.093 0.000 0.900 530 D HN 0.247 nan 8.370 nan 0.000 0.531 531 G N -0.968 107.718 108.800 -0.191 0.000 2.258 531 G HA2 -0.181 3.780 3.960 0.001 0.000 0.233 531 G HA3 -0.181 3.780 3.960 0.001 0.000 0.233 531 G C 0.701 175.305 174.900 -0.494 0.000 1.006 531 G CA 0.097 45.054 45.100 -0.239 0.000 0.620 531 G HN 0.818 nan 8.290 nan 0.000 0.511 532 G N -1.223 107.100 108.800 -0.795 0.000 2.588 532 G HA2 0.472 4.433 3.960 0.001 0.000 0.281 532 G HA3 0.472 4.433 3.960 0.001 0.000 0.281 532 G C -0.110 174.397 174.900 -0.654 0.000 1.236 532 G CA -0.305 44.160 45.100 -1.059 0.000 0.969 532 G HN 0.307 nan 8.290 nan 0.000 0.504 533 W N -1.106 119.947 121.300 -0.411 0.000 2.781 533 W HA 0.604 5.265 4.660 0.001 0.000 0.345 533 W C 0.137 176.526 176.519 -0.216 0.000 1.085 533 W CA -0.673 56.529 57.345 -0.239 0.000 1.198 533 W CB 2.534 31.911 29.460 -0.139 0.000 1.423 533 W HN 0.835 nan 8.180 nan 0.000 0.532 534 G N 0.963 109.809 108.800 0.075 0.000 2.692 534 G HA2 0.528 4.488 3.960 0.001 0.000 0.291 534 G HA3 0.528 4.488 3.960 0.001 0.000 0.291 534 G C -2.069 172.855 174.900 0.040 0.000 1.423 534 G CA -0.572 44.533 45.100 0.009 0.000 0.843 534 G HN 0.351 nan 8.290 nan 0.000 0.486 535 E N 0.352 120.571 120.200 0.033 0.000 2.334 535 E HA 0.273 4.624 4.350 0.001 0.000 0.280 535 E C -1.594 175.008 176.600 0.003 0.000 0.899 535 E CA -0.585 55.849 56.400 0.056 0.000 0.813 535 E CB 2.017 31.785 29.700 0.113 0.000 1.318 535 E HN 0.456 nan 8.360 nan 0.000 0.399 536 D N 2.058 122.456 120.400 -0.002 0.000 2.362 536 D HA 0.070 4.710 4.640 0.001 0.000 0.242 536 D C 0.639 176.808 176.300 -0.220 0.000 1.132 536 D CA -0.245 53.689 54.000 -0.110 0.000 0.907 536 D CB 0.896 41.640 40.800 -0.093 0.000 1.195 536 D HN 0.491 nan 8.370 nan 0.000 0.429 537 C N 1.938 120.940 119.300 -0.497 0.000 2.437 537 C HA -0.002 4.459 4.460 0.001 0.000 0.283 537 C C 2.279 176.978 174.990 -0.484 0.000 1.424 537 C CA 0.065 58.628 59.018 -0.758 0.000 1.782 537 C CB -1.138 25.384 27.740 -2.030 0.000 1.833 537 C HN 0.663 nan 8.230 nan 0.000 0.532 538 R N 0.750 121.016 120.500 -0.389 0.000 2.249 538 R HA -0.146 4.194 4.340 0.001 0.000 0.230 538 R C 2.398 178.660 176.300 -0.064 0.000 1.121 538 R CA 1.285 57.233 56.100 -0.254 0.000 0.997 538 R CB -0.369 29.484 30.300 -0.744 0.000 0.867 538 R HN 0.538 nan 8.270 nan 0.000 0.465 539 S N -0.036 115.645 115.700 -0.031 0.000 2.387 539 S HA -0.195 4.276 4.470 0.001 0.000 0.230 539 S C 1.446 176.064 174.600 0.029 0.000 1.035 539 S CA 1.242 59.472 58.200 0.050 0.000 1.014 539 S CB -0.164 62.986 63.200 -0.084 0.000 0.836 539 S HN 0.410 nan 8.310 nan 0.000 0.466 540 Y N 0.581 120.959 120.300 0.130 0.000 2.497 540 Y HA 0.131 4.681 4.550 0.001 0.000 0.292 540 Y C 2.369 178.389 175.900 0.200 0.000 1.137 540 Y CA 1.067 59.284 58.100 0.195 0.000 1.285 540 Y CB -0.007 38.580 38.460 0.211 0.000 0.991 540 Y HN 0.302 nan 8.280 nan 0.000 0.556 541 E N -1.074 119.298 120.200 0.286 0.000 2.601 541 E HA 0.065 4.416 4.350 0.001 0.000 0.219 541 E C -0.800 175.916 176.600 0.192 0.000 0.964 541 E CA 0.054 56.589 56.400 0.225 0.000 1.050 541 E CB 0.736 30.560 29.700 0.207 0.000 1.068 541 E HN 0.029 nan 8.360 nan 0.000 0.496 542 D N -0.873 119.654 120.400 0.212 0.000 2.616 542 D HA 0.176 4.817 4.640 0.001 0.000 0.238 542 D C -2.248 174.196 176.300 0.240 0.000 1.354 542 D CA -2.028 52.109 54.000 0.229 0.000 0.970 542 D CB 1.760 42.741 40.800 0.301 0.000 1.369 542 D HN -0.231 nan 8.370 nan 0.000 0.585 543 P HA -0.058 nan 4.420 nan 0.000 0.219 543 P C 1.038 178.407 177.300 0.114 0.000 1.146 543 P CA 0.959 64.143 63.100 0.141 0.000 0.808 543 P CB 0.286 32.040 31.700 0.091 0.000 0.779 544 A N -2.002 120.877 122.820 0.098 0.000 2.121 544 A HA -0.159 4.162 4.320 0.001 0.000 0.218 544 A C 1.415 178.911 177.584 -0.146 0.000 1.154 544 A CA 1.123 53.145 52.037 -0.025 0.000 0.679 544 A CB -1.495 17.461 19.000 -0.074 0.000 0.795 544 A HN 0.212 nan 8.150 nan 0.000 0.458 545 Y N -0.512 119.823 120.300 0.058 0.000 2.457 545 Y HA 0.432 4.983 4.550 0.001 0.000 0.263 545 Y C 1.452 177.386 175.900 0.058 0.000 1.164 545 Y CA -0.240 57.885 58.100 0.043 0.000 1.274 545 Y CB -0.076 38.406 38.460 0.036 0.000 1.097 545 Y HN 0.278 nan 8.280 nan 0.000 0.523 546 A N 0.677 123.606 122.820 0.181 0.000 2.526 546 A HA 0.356 4.676 4.320 0.001 0.000 0.267 546 A C 1.598 179.194 177.584 0.020 0.000 1.095 546 A CA 0.854 53.014 52.037 0.205 0.000 0.775 546 A CB -1.078 17.956 19.000 0.057 0.000 1.036 546 A HN 0.886 nan 8.150 nan 0.000 0.510 547 G N 2.223 111.088 108.800 0.109 0.000 2.179 547 G HA2 -0.245 3.716 3.960 0.001 0.000 0.257 547 G HA3 -0.245 3.716 3.960 0.001 0.000 0.257 547 G C 0.092 174.898 174.900 -0.158 0.000 1.010 547 G CA 0.953 45.941 45.100 -0.187 0.000 0.736 547 G HN 0.849 nan 8.290 nan 0.000 0.513 548 K N -0.498 119.896 120.400 -0.010 0.000 2.427 548 K HA 0.699 5.019 4.320 0.001 0.000 0.252 548 K C 0.167 176.807 176.600 0.068 0.000 0.931 548 K CA -0.172 56.115 56.287 -0.000 0.000 0.793 548 K CB 2.346 34.811 32.500 -0.058 0.000 1.211 548 K HN 0.973 nan 8.250 nan 0.000 0.426 549 G N 0.423 109.227 108.800 0.006 0.000 2.321 549 G HA2 0.391 4.352 3.960 0.001 0.000 0.298 549 G HA3 0.391 4.352 3.960 0.001 0.000 0.298 549 G C -1.645 173.180 174.900 -0.126 0.000 1.385 549 G CA -0.669 44.413 45.100 -0.030 0.000 0.856 549 G HN 0.609 nan 8.290 nan 0.000 0.584 550 A N 0.422 123.094 122.820 -0.247 0.000 2.511 550 A HA 0.582 4.902 4.320 0.001 0.000 0.242 550 A C 1.088 178.548 177.584 -0.208 0.000 1.069 550 A CA 0.771 52.656 52.037 -0.253 0.000 0.763 550 A CB -0.089 18.665 19.000 -0.410 0.000 1.001 550 A HN 1.604 nan 8.150 nan 0.000 0.498 551 S N 1.117 116.750 115.700 -0.111 0.000 2.552 551 S HA 0.377 4.847 4.470 0.001 0.000 0.289 551 S C 0.808 175.419 174.600 0.018 0.000 1.304 551 S CA 0.542 58.669 58.200 -0.122 0.000 1.063 551 S CB 0.166 63.180 63.200 -0.310 0.000 0.848 551 S HN 1.054 nan 8.310 nan 0.000 0.499 552 T N 0.533 115.089 114.554 0.003 0.000 2.924 552 T HA 0.526 4.877 4.350 0.001 0.000 0.291 552 T C -2.304 172.420 174.700 0.040 0.000 1.045 552 T CA -2.098 60.052 62.100 0.083 0.000 1.015 552 T CB 1.809 70.707 68.868 0.050 0.000 1.103 552 T HN 0.222 nan 8.240 nan 0.000 0.496 553 P HA -0.123 nan 4.420 nan 0.000 0.216 553 P C 1.834 178.942 177.300 -0.320 0.000 1.153 553 P CA 1.476 64.487 63.100 -0.148 0.000 0.848 553 P CB -0.140 31.384 31.700 -0.292 0.000 0.787 554 S N 0.026 115.517 115.700 -0.348 0.000 2.368 554 S HA -0.199 4.271 4.470 0.001 0.000 0.225 554 S C 2.183 176.022 174.600 -1.269 0.000 1.030 554 S CA 1.033 58.801 58.200 -0.720 0.000 0.999 554 S CB -1.397 61.475 63.200 -0.547 0.000 0.844 554 S HN 0.182 nan 8.310 nan 0.000 0.459 555 Q N 0.547 119.877 119.800 -0.784 0.000 2.187 555 Q HA 0.021 4.362 4.340 0.001 0.000 0.199 555 Q C 2.264 178.116 176.000 -0.246 0.000 0.957 555 Q CA 1.504 57.014 55.803 -0.489 0.000 0.857 555 Q CB -0.437 28.252 28.738 -0.081 0.000 0.929 555 Q HN 0.600 nan 8.270 nan 0.000 0.453 556 T N 0.942 115.387 114.554 -0.182 0.000 2.708 556 T HA -0.191 4.159 4.350 0.001 0.000 0.266 556 T C 1.932 176.518 174.700 -0.191 0.000 1.037 556 T CA 1.269 63.350 62.100 -0.033 0.000 1.146 556 T CB -0.326 68.542 68.868 -0.001 0.000 0.865 556 T HN 0.407 nan 8.240 nan 0.000 0.435 557 A N 1.174 123.807 122.820 -0.311 0.000 1.883 557 A HA -0.134 4.187 4.320 0.001 0.000 0.217 557 A C 2.145 179.616 177.584 -0.189 0.000 1.186 557 A CA 1.522 53.391 52.037 -0.279 0.000 0.624 557 A CB -0.976 17.830 19.000 -0.323 0.000 0.822 557 A HN 0.606 nan 8.150 nan 0.000 0.444 558 W N -0.556 120.588 121.300 -0.259 0.000 2.388 558 W HA 0.017 4.677 4.660 0.001 0.000 0.294 558 W C 2.804 179.137 176.519 -0.310 0.000 1.212 558 W CA 0.646 57.820 57.345 -0.285 0.000 1.271 558 W CB -1.327 27.973 29.460 -0.268 0.000 1.126 558 W HN 0.461 nan 8.180 nan 0.000 0.535 559 A N -0.067 122.595 122.820 -0.263 0.000 1.902 559 A HA -0.135 4.185 4.320 0.001 0.000 0.217 559 A C 2.063 179.281 177.584 -0.610 0.000 1.181 559 A CA 1.362 52.979 52.037 -0.699 0.000 0.623 559 A CB -0.900 16.974 19.000 -1.876 0.000 0.818 559 A HN 0.116 nan 8.150 nan 0.000 0.443 560 L N -0.833 120.098 121.223 -0.487 0.000 2.046 560 L HA -0.078 4.263 4.340 0.001 0.000 0.208 560 L C 2.631 179.430 176.870 -0.117 0.000 1.077 560 L CA 1.886 56.572 54.840 -0.257 0.000 0.747 560 L CB -0.871 41.096 42.059 -0.154 0.000 0.896 560 L HN 0.411 nan 8.230 nan 0.000 0.432 561 M N -1.653 117.900 119.600 -0.079 0.000 2.149 561 M HA -0.224 4.257 4.480 0.001 0.000 0.261 561 M C 2.219 178.504 176.300 -0.025 0.000 1.064 561 M CA 1.820 57.113 55.300 -0.012 0.000 1.102 561 M CB -0.367 32.258 32.600 0.041 0.000 1.369 561 M HN 0.317 nan 8.290 nan 0.000 0.408 562 A N 0.345 123.129 122.820 -0.060 0.000 1.877 562 A HA -0.130 4.191 4.320 0.001 0.000 0.216 562 A C 2.062 179.632 177.584 -0.023 0.000 1.186 562 A CA 1.365 53.377 52.037 -0.040 0.000 0.620 562 A CB -0.939 18.043 19.000 -0.031 0.000 0.822 562 A HN 0.452 nan 8.150 nan 0.000 0.443 563 L N -0.638 120.558 121.223 -0.045 0.000 2.046 563 L HA -0.196 4.145 4.340 0.001 0.000 0.208 563 L C 2.502 179.387 176.870 0.025 0.000 1.077 563 L CA 1.379 56.220 54.840 0.001 0.000 0.747 563 L CB -0.569 41.492 42.059 0.003 0.000 0.896 563 L HN 0.391 nan 8.230 nan 0.000 0.432 564 I N -0.213 120.373 120.570 0.026 0.000 2.286 564 I HA -0.215 3.956 4.170 0.001 0.000 0.245 564 I C 2.782 178.913 176.117 0.022 0.000 1.104 564 I CA 1.018 62.344 61.300 0.044 0.000 1.397 564 I CB -0.438 37.602 38.000 0.066 0.000 1.072 564 I HN 0.159 nan 8.210 nan 0.000 0.417 565 A N 0.709 123.536 122.820 0.012 0.000 1.972 565 A HA -0.087 4.234 4.320 0.001 0.000 0.219 565 A C 2.175 179.757 177.584 -0.003 0.000 1.169 565 A CA 1.762 53.800 52.037 0.002 0.000 0.635 565 A CB -1.096 17.898 19.000 -0.011 0.000 0.810 565 A HN 0.476 nan 8.150 nan 0.000 0.446 566 G N -2.172 106.628 108.800 0.001 0.000 3.314 566 G HA2 0.405 4.366 3.960 0.001 0.000 0.238 566 G HA3 0.405 4.366 3.960 0.001 0.000 0.238 566 G C 1.013 175.919 174.900 0.010 0.000 1.184 566 G CA 0.412 45.512 45.100 0.001 0.000 0.806 566 G HN 1.569 nan 8.290 nan 0.000 0.536 567 G N 0.353 109.161 108.800 0.013 0.000 2.141 567 G HA2 -0.263 3.698 3.960 0.001 0.000 0.242 567 G HA3 -0.263 3.698 3.960 0.001 0.000 0.242 567 G C 0.835 175.751 174.900 0.027 0.000 0.982 567 G CA 0.086 45.195 45.100 0.016 0.000 0.662 567 G HN 0.564 nan 8.290 nan 0.000 0.527 568 R N -0.115 120.409 120.500 0.041 0.000 2.696 568 R HA 0.567 4.907 4.340 0.001 0.000 0.355 568 R C 2.148 178.499 176.300 0.086 0.000 1.138 568 R CA 0.407 56.542 56.100 0.059 0.000 1.059 568 R CB 0.340 30.679 30.300 0.065 0.000 1.380 568 R HN 0.355 nan 8.270 nan 0.000 0.578 569 A N 1.444 124.312 122.820 0.081 0.000 2.019 569 A HA -0.166 4.155 4.320 0.001 0.000 0.219 569 A C 1.558 179.245 177.584 0.173 0.000 1.164 569 A CA 1.180 53.302 52.037 0.140 0.000 0.644 569 A CB -0.009 19.008 19.000 0.029 0.000 0.805 569 A HN 0.358 nan 8.150 nan 0.000 0.449 570 E N 0.863 121.121 120.200 0.096 0.000 2.479 570 E HA 0.048 4.399 4.350 0.001 0.000 0.193 570 E C 0.561 177.219 176.600 0.097 0.000 1.049 570 E CA 0.271 56.729 56.400 0.095 0.000 0.870 570 E CB -0.013 29.718 29.700 0.051 0.000 0.944 570 E HN 0.681 nan 8.360 nan 0.000 0.492 571 S N 0.957 116.717 115.700 0.100 0.000 2.576 571 S HA -0.039 4.432 4.470 0.001 0.000 0.272 571 S C 1.149 175.807 174.600 0.096 0.000 1.352 571 S CA -0.352 57.902 58.200 0.090 0.000 1.021 571 S CB 1.682 64.938 63.200 0.094 0.000 0.887 571 S HN 0.066 nan 8.310 nan 0.000 0.542 572 E N 2.208 122.452 120.200 0.073 0.000 2.085 572 E HA -0.115 4.236 4.350 0.001 0.000 0.194 572 E C 2.066 178.707 176.600 0.069 0.000 0.994 572 E CA 1.793 58.229 56.400 0.060 0.000 0.801 572 E CB -0.892 28.829 29.700 0.034 0.000 0.743 572 E HN 0.820 nan 8.360 nan 0.000 0.453 573 A N 0.807 123.682 122.820 0.092 0.000 1.883 573 A HA -0.101 4.220 4.320 0.001 0.000 0.217 573 A C 2.475 180.196 177.584 0.229 0.000 1.186 573 A CA 2.346 54.469 52.037 0.143 0.000 0.624 573 A CB -1.165 17.966 19.000 0.218 0.000 0.822 573 A HN 0.415 nan 8.150 nan 0.000 0.444 574 A N -0.507 122.435 122.820 0.203 0.000 1.898 574 A HA -0.118 4.203 4.320 0.001 0.000 0.216 574 A C 2.233 179.869 177.584 0.087 0.000 1.181 574 A CA 1.458 53.599 52.037 0.173 0.000 0.620 574 A CB -0.436 18.665 19.000 0.168 0.000 0.819 574 A HN 0.545 nan 8.150 nan 0.000 0.442 575 R N -0.689 119.872 120.500 0.101 0.000 2.081 575 R HA -0.077 4.263 4.340 0.001 0.000 0.235 575 R C 2.440 178.765 176.300 0.041 0.000 1.131 575 R CA 1.563 57.704 56.100 0.069 0.000 0.960 575 R CB -0.269 30.096 30.300 0.108 0.000 0.856 575 R HN 0.473 nan 8.270 nan 0.000 0.436 576 R N -0.388 120.143 120.500 0.051 0.000 2.092 576 R HA -0.065 4.275 4.340 0.001 0.000 0.231 576 R C 2.388 178.725 176.300 0.062 0.000 1.119 576 R CA 1.277 57.396 56.100 0.032 0.000 0.970 576 R CB -0.407 29.878 30.300 -0.025 0.000 0.864 576 R HN 0.335 nan 8.270 nan 0.000 0.440 577 G N 0.306 109.175 108.800 0.114 0.000 2.418 577 G HA2 -0.207 3.753 3.960 0.001 0.000 0.217 577 G HA3 -0.207 3.753 3.960 0.001 0.000 0.217 577 G C 1.443 176.425 174.900 0.137 0.000 1.158 577 G CA 0.591 45.825 45.100 0.224 0.000 0.771 577 G HN 0.120 nan 8.290 nan 0.000 0.545 578 V N 0.534 120.430 119.914 -0.030 0.000 2.295 578 V HA -0.210 3.911 4.120 0.001 0.000 0.246 578 V C 2.802 178.910 176.094 0.022 0.000 1.049 578 V CA 2.287 64.505 62.300 -0.136 0.000 1.024 578 V CB -0.359 31.168 31.823 -0.494 0.000 0.648 578 V HN 0.426 nan 8.190 nan 0.000 0.447 579 Q N -0.505 119.326 119.800 0.051 0.000 2.135 579 Q HA -0.256 4.084 4.340 0.001 0.000 0.204 579 Q C 2.000 178.069 176.000 0.115 0.000 0.981 579 Q CA 2.187 58.040 55.803 0.084 0.000 0.856 579 Q CB -0.695 28.086 28.738 0.072 0.000 0.902 579 Q HN 0.768 nan 8.270 nan 0.000 0.425 580 Y N -0.146 120.174 120.300 0.033 0.000 2.145 580 Y HA -0.189 4.361 4.550 0.001 0.000 0.286 580 Y C 1.613 177.583 175.900 0.117 0.000 1.145 580 Y CA 1.790 59.920 58.100 0.049 0.000 1.148 580 Y CB -0.209 38.263 38.460 0.019 0.000 0.981 580 Y HN 0.145 nan 8.280 nan 0.000 0.507 581 L N -0.965 120.369 121.223 0.184 0.000 2.046 581 L HA -0.223 4.118 4.340 0.001 0.000 0.208 581 L C 2.414 179.489 176.870 0.341 0.000 1.077 581 L CA 1.200 56.176 54.840 0.227 0.000 0.747 581 L CB -0.784 41.361 42.059 0.143 0.000 0.896 581 L HN 0.160 nan 8.230 nan 0.000 0.432 582 V N -0.090 119.941 119.914 0.195 0.000 2.332 582 V HA -0.299 3.822 4.120 0.001 0.000 0.248 582 V C 2.295 178.412 176.094 0.038 0.000 1.055 582 V CA 1.909 64.291 62.300 0.137 0.000 1.038 582 V CB -0.429 31.460 31.823 0.110 0.000 0.651 582 V HN 0.472 nan 8.190 nan 0.000 0.450 583 E N -0.256 119.940 120.200 -0.006 0.000 2.299 583 E HA -0.102 4.248 4.350 0.001 0.000 0.193 583 E C 2.117 178.649 176.600 -0.114 0.000 0.998 583 E CA 1.394 57.758 56.400 -0.059 0.000 0.851 583 E CB -0.002 29.665 29.700 -0.055 0.000 0.795 583 E HN 0.817 nan 8.360 nan 0.000 0.492 584 T N -2.231 112.240 114.554 -0.139 0.000 3.022 584 T HA 0.026 4.377 4.350 0.001 0.000 0.250 584 T C 0.935 175.534 174.700 -0.170 0.000 1.060 584 T CA -0.339 61.674 62.100 -0.146 0.000 1.013 584 T CB 0.253 68.955 68.868 -0.277 0.000 0.982 584 T HN -0.070 nan 8.240 nan 0.000 0.508 585 Q N 1.751 121.347 119.800 -0.340 0.000 2.315 585 Q HA 0.102 4.443 4.340 0.001 0.000 0.289 585 Q C -0.201 175.474 176.000 -0.540 0.000 1.044 585 Q CA -0.051 55.181 55.803 -0.952 0.000 0.920 585 Q CB 0.575 28.755 28.738 -0.930 0.000 1.214 585 Q HN 0.448 nan 8.270 nan 0.000 0.392 586 R N 3.939 124.106 120.500 -0.555 0.000 2.615 586 R HA 0.075 4.416 4.340 0.001 0.000 0.270 586 R C -1.625 174.486 176.300 -0.314 0.000 1.081 586 R CA -1.445 54.450 56.100 -0.341 0.000 1.154 586 R CB -0.079 30.041 30.300 -0.299 0.000 1.063 586 R HN 0.565 nan 8.270 nan 0.000 0.519 587 P HA -0.224 nan 4.420 nan 0.000 0.217 587 P C 0.429 177.633 177.300 -0.160 0.000 1.151 587 P CA 1.475 64.481 63.100 -0.158 0.000 0.849 587 P CB 0.066 31.702 31.700 -0.106 0.000 0.787 588 D N -2.053 118.235 120.400 -0.187 0.000 2.363 588 D HA 0.015 4.656 4.640 0.001 0.000 0.220 588 D C 1.488 177.668 176.300 -0.200 0.000 0.994 588 D CA 1.105 55.021 54.000 -0.141 0.000 0.890 588 D CB -0.844 39.902 40.800 -0.089 0.000 0.906 588 D HN 0.279 nan 8.370 nan 0.000 0.530 589 G N -1.143 107.436 108.800 -0.369 0.000 2.195 589 G HA2 -0.122 3.839 3.960 0.001 0.000 0.224 589 G HA3 -0.122 3.839 3.960 0.001 0.000 0.224 589 G C 0.604 175.123 174.900 -0.635 0.000 0.990 589 G CA 0.056 44.926 45.100 -0.383 0.000 0.639 589 G HN 0.803 nan 8.290 nan 0.000 0.514 590 G N -1.374 106.864 108.800 -0.936 0.000 2.535 590 G HA2 0.538 4.498 3.960 0.001 0.000 0.303 590 G HA3 0.538 4.498 3.960 0.001 0.000 0.303 590 G C -0.331 174.323 174.900 -0.410 0.000 1.237 590 G CA -0.690 44.015 45.100 -0.658 0.000 0.986 590 G HN 0.264 nan 8.290 nan 0.000 0.494 591 W N -0.329 121.012 121.300 0.069 0.000 2.819 591 W HA 0.284 4.945 4.660 0.001 0.000 0.337 591 W C -0.875 175.621 176.519 -0.037 0.000 1.077 591 W CA -0.599 56.731 57.345 -0.025 0.000 1.226 591 W CB 2.061 31.501 29.460 -0.033 0.000 1.419 591 W HN 0.375 nan 8.180 nan 0.000 0.502 592 D N 1.503 122.014 120.400 0.186 0.000 2.372 592 D HA 0.114 4.755 4.640 0.001 0.000 0.243 592 D C -0.335 176.056 176.300 0.151 0.000 1.121 592 D CA 0.637 54.716 54.000 0.132 0.000 0.898 592 D CB 1.386 42.240 40.800 0.090 0.000 1.202 592 D HN 0.326 nan 8.370 nan 0.000 0.428 593 E N 1.606 121.879 120.200 0.121 0.000 2.738 593 E HA 0.151 4.502 4.350 0.001 0.000 0.347 593 E C -2.247 174.429 176.600 0.126 0.000 1.077 593 E CA -1.125 55.365 56.400 0.150 0.000 0.755 593 E CB 1.264 31.047 29.700 0.139 0.000 1.576 593 E HN 0.090 nan 8.360 nan 0.000 0.379 594 P HA 0.088 nan 4.420 nan 0.000 0.249 594 P C -0.695 176.442 177.300 -0.271 0.000 1.229 594 P CA 0.168 63.193 63.100 -0.126 0.000 0.788 594 P CB -0.104 31.443 31.700 -0.256 0.000 1.072 595 Y N -0.698 119.675 120.300 0.121 0.000 2.446 595 Y HA 0.351 4.901 4.550 0.001 0.000 0.338 595 Y C 0.810 176.872 175.900 0.270 0.000 1.055 595 Y CA -1.150 57.023 58.100 0.123 0.000 1.101 595 Y CB 0.667 39.183 38.460 0.094 0.000 1.221 595 Y HN -0.186 nan 8.280 nan 0.000 0.460 596 Y N 0.884 121.333 120.300 0.249 0.000 2.359 596 Y HA 0.145 4.696 4.550 0.001 0.000 0.330 596 Y C 1.267 177.289 175.900 0.204 0.000 1.143 596 Y CA -0.731 57.488 58.100 0.198 0.000 1.318 596 Y CB 0.775 39.338 38.460 0.172 0.000 1.234 596 Y HN 0.682 nan 8.280 nan 0.000 0.522 597 T N -1.540 113.259 114.554 0.408 0.000 3.091 597 T HA 0.397 4.748 4.350 0.001 0.000 0.277 597 T C 0.478 175.463 174.700 0.475 0.000 0.996 597 T CA -0.019 62.338 62.100 0.429 0.000 0.897 597 T CB -0.120 69.001 68.868 0.423 0.000 1.109 597 T HN 0.655 nan 8.240 nan 0.000 0.534 598 G N 0.426 109.469 108.800 0.405 0.000 2.417 598 G HA2 0.562 4.523 3.960 0.001 0.000 0.334 598 G HA3 0.562 4.523 3.960 0.001 0.000 0.334 598 G C -1.037 174.026 174.900 0.271 0.000 1.150 598 G CA -0.568 44.768 45.100 0.393 0.000 0.923 598 G HN 0.214 nan 8.290 nan 0.000 0.485 599 T N 0.750 115.395 114.554 0.151 0.000 2.809 599 T HA 0.508 4.858 4.350 0.001 0.000 0.284 599 T C 1.181 175.804 174.700 -0.129 0.000 0.992 599 T CA 0.198 62.264 62.100 -0.056 0.000 0.957 599 T CB 1.753 70.487 68.868 -0.224 0.000 0.942 599 T HN 0.623 nan 8.240 nan 0.000 0.439 600 G N 2.034 110.662 108.800 -0.286 0.000 2.473 600 G HA2 0.264 4.224 3.960 0.001 0.000 0.212 600 G HA3 0.264 4.224 3.960 0.001 0.000 0.212 600 G C -0.324 173.914 174.900 -1.103 0.000 1.211 600 G CA 0.353 45.127 45.100 -0.542 0.000 0.813 600 G HN 0.557 nan 8.290 nan 0.000 0.541 601 F N 0.623 120.292 119.950 -0.469 0.000 2.557 601 F HA 0.469 4.997 4.527 0.001 0.000 0.316 601 F C -2.510 172.877 175.800 -0.689 0.000 1.141 601 F CA -3.031 54.631 58.000 -0.564 0.000 0.922 601 F CB 2.049 40.761 39.000 -0.480 0.000 1.194 601 F HN -0.157 nan 8.300 nan 0.000 0.443 602 P HA 0.126 nan 4.420 nan 0.000 0.258 602 P C 0.873 178.018 177.300 -0.258 0.000 1.172 602 P CA 1.650 64.411 63.100 -0.565 0.000 0.762 602 P CB 0.334 31.977 31.700 -0.094 0.000 0.764 603 G N 3.452 112.166 108.800 -0.143 0.000 2.299 603 G HA2 -0.247 3.714 3.960 0.001 0.000 0.237 603 G HA3 -0.247 3.714 3.960 0.001 0.000 0.237 603 G C 0.768 175.717 174.900 0.082 0.000 1.027 603 G CA 0.374 45.550 45.100 0.127 0.000 0.619 603 G HN 0.485 nan 8.290 nan 0.000 0.513 604 D N -1.291 118.995 120.400 -0.191 0.000 2.473 604 D HA 0.396 5.037 4.640 0.001 0.000 0.242 604 D C -0.131 176.181 176.300 0.020 0.000 1.106 604 D CA 0.271 54.171 54.000 -0.167 0.000 0.854 604 D CB 0.853 41.252 40.800 -0.669 0.000 1.192 604 D HN 0.328 nan 8.370 nan 0.000 0.503 605 F N 0.871 120.563 119.950 -0.430 0.000 2.651 605 F HA 0.325 4.853 4.527 0.001 0.000 0.329 605 F C -1.799 173.645 175.800 -0.594 0.000 1.186 605 F CA -0.804 57.064 58.000 -0.220 0.000 1.046 605 F CB 1.075 40.050 39.000 -0.042 0.000 1.296 605 F HN -0.326 nan 8.300 nan 0.000 0.497 606 Y N 5.069 125.311 120.300 -0.095 0.000 2.562 606 Y HA 0.804 5.354 4.550 0.001 0.000 0.343 606 Y C -0.889 174.955 175.900 -0.093 0.000 1.025 606 Y CA -1.106 57.007 58.100 0.023 0.000 1.082 606 Y CB 2.049 40.629 38.460 0.199 0.000 1.264 606 Y HN 0.374 nan 8.280 nan 0.000 0.478 607 L N 1.121 122.355 121.223 0.018 0.000 2.408 607 L HA 0.681 5.022 4.340 0.001 0.000 0.268 607 L C -0.005 176.485 176.870 -0.632 0.000 0.986 607 L CA -0.952 53.670 54.840 -0.363 0.000 0.820 607 L CB 2.256 44.173 42.059 -0.235 0.000 1.303 607 L HN 0.858 nan 8.230 nan 0.000 0.411 608 G N 1.550 109.699 108.800 -1.085 0.000 2.504 608 G HA2 0.398 4.358 3.960 0.001 0.000 0.326 608 G HA3 0.398 4.358 3.960 0.001 0.000 0.326 608 G C -1.106 173.591 174.900 -0.339 0.000 1.073 608 G CA -0.170 44.543 45.100 -0.645 0.000 1.030 608 G HN 0.388 nan 8.290 nan 0.000 0.448 609 Y N 2.677 122.790 120.300 -0.312 0.000 2.613 609 Y HA 0.127 4.678 4.550 0.001 0.000 0.354 609 Y C 2.224 178.025 175.900 -0.164 0.000 1.063 609 Y CA 0.035 57.914 58.100 -0.367 0.000 1.384 609 Y CB 0.967 38.747 38.460 -1.133 0.000 1.199 609 Y HN 0.673 nan 8.280 nan 0.000 0.517 610 T N -1.180 113.407 114.554 0.054 0.000 2.977 610 T HA -0.155 4.196 4.350 0.001 0.000 0.271 610 T C 1.666 176.480 174.700 0.190 0.000 1.105 610 T CA 0.985 63.148 62.100 0.106 0.000 1.116 610 T CB 0.030 68.944 68.868 0.077 0.000 0.878 610 T HN 0.441 nan 8.240 nan 0.000 0.509 611 M N -0.245 119.508 119.600 0.256 0.000 2.476 611 M HA 0.209 4.690 4.480 0.001 0.000 0.262 611 M C 1.553 178.052 176.300 0.332 0.000 1.111 611 M CA 0.336 55.833 55.300 0.328 0.000 1.127 611 M CB -1.035 31.730 32.600 0.275 0.000 1.376 611 M HN 0.208 nan 8.290 nan 0.000 0.465 612 Y N 1.753 122.167 120.300 0.189 0.000 2.151 612 Y HA -0.246 4.305 4.550 0.001 0.000 0.284 612 Y C 2.484 178.438 175.900 0.090 0.000 1.166 612 Y CA 1.636 59.884 58.100 0.247 0.000 1.163 612 Y CB -1.126 37.592 38.460 0.430 0.000 0.974 612 Y HN 0.407 nan 8.280 nan 0.000 0.511 613 R N -0.703 119.865 120.500 0.113 0.000 2.193 613 R HA -0.141 4.200 4.340 0.001 0.000 0.229 613 R C 1.280 177.508 176.300 -0.120 0.000 1.110 613 R CA 1.790 57.836 56.100 -0.092 0.000 0.988 613 R CB -0.610 29.596 30.300 -0.157 0.000 0.871 613 R HN 0.397 nan 8.270 nan 0.000 0.458 614 H N -0.288 118.923 119.070 0.234 0.000 2.422 614 H HA 0.100 4.657 4.556 0.001 0.000 0.303 614 H C 2.136 177.521 175.328 0.096 0.000 1.033 614 H CA 0.790 57.014 56.048 0.293 0.000 1.335 614 H CB -0.222 29.757 29.762 0.363 0.000 1.458 614 H HN 0.057 nan 8.280 nan 0.000 0.556 615 V N 0.954 120.908 119.914 0.067 0.000 2.379 615 V HA -0.185 3.935 4.120 0.001 0.000 0.245 615 V C 2.025 177.920 176.094 -0.330 0.000 1.044 615 V CA 1.417 63.583 62.300 -0.224 0.000 1.036 615 V CB -0.580 30.973 31.823 -0.449 0.000 0.664 615 V HN 0.053 nan 8.190 nan 0.000 0.453 616 F N 0.498 120.344 119.950 -0.174 0.000 2.163 616 F HA 0.087 4.615 4.527 0.001 0.000 0.297 616 F C -0.003 175.620 175.800 -0.295 0.000 1.094 616 F CA 1.350 59.206 58.000 -0.241 0.000 1.290 616 F CB -2.141 36.668 39.000 -0.318 0.000 1.017 616 F HN 0.280 nan 8.300 nan 0.000 0.483 617 P HA -0.142 nan 4.420 nan 0.000 0.216 617 P C 1.600 178.757 177.300 -0.237 0.000 1.150 617 P CA 2.154 64.961 63.100 -0.488 0.000 0.843 617 P CB -0.262 30.626 31.700 -1.353 0.000 0.787 618 T N -0.225 114.261 114.554 -0.112 0.000 2.737 618 T HA -0.135 4.216 4.350 0.001 0.000 0.265 618 T C 1.679 176.353 174.700 -0.043 0.000 1.038 618 T CA 0.979 63.080 62.100 0.002 0.000 1.144 618 T CB -0.939 67.939 68.868 0.016 0.000 0.866 618 T HN 0.003 nan 8.240 nan 0.000 0.434 619 L N 1.479 122.646 121.223 -0.094 0.000 2.017 619 L HA 0.033 4.374 4.340 0.001 0.000 0.208 619 L C 2.585 179.445 176.870 -0.016 0.000 1.073 619 L CA 2.015 56.808 54.840 -0.080 0.000 0.745 619 L CB -1.015 40.989 42.059 -0.090 0.000 0.894 619 L HN 0.225 nan 8.230 nan 0.000 0.432 620 A N -0.853 121.963 122.820 -0.007 0.000 1.930 620 A HA -0.108 4.213 4.320 0.001 0.000 0.217 620 A C 2.252 179.839 177.584 0.004 0.000 1.175 620 A CA 1.720 53.755 52.037 -0.003 0.000 0.627 620 A CB -0.801 18.171 19.000 -0.046 0.000 0.815 620 A HN 0.500 nan 8.150 nan 0.000 0.443 621 L N -0.736 120.482 121.223 -0.009 0.000 2.093 621 L HA -0.094 4.247 4.340 0.001 0.000 0.208 621 L C 2.827 179.735 176.870 0.064 0.000 1.085 621 L CA 0.979 55.833 54.840 0.023 0.000 0.755 621 L CB -0.753 41.353 42.059 0.080 0.000 0.904 621 L HN 0.487 nan 8.230 nan 0.000 0.435 622 G N -0.170 108.660 108.800 0.049 0.000 2.433 622 G HA2 -0.227 3.733 3.960 0.001 0.000 0.216 622 G HA3 -0.227 3.733 3.960 0.001 0.000 0.216 622 G C 1.700 176.620 174.900 0.032 0.000 1.186 622 G CA 0.318 45.443 45.100 0.041 0.000 0.779 622 G HN 0.216 nan 8.290 nan 0.000 0.543 623 R N -0.862 119.658 120.500 0.033 0.000 2.120 623 R HA -0.091 4.249 4.340 0.001 0.000 0.234 623 R C 2.251 178.573 176.300 0.038 0.000 1.123 623 R CA 1.176 57.298 56.100 0.036 0.000 0.975 623 R CB -0.628 29.700 30.300 0.048 0.000 0.866 623 R HN 0.551 nan 8.270 nan 0.000 0.446 624 Y N 2.290 122.530 120.300 -0.100 0.000 2.163 624 Y HA -0.212 4.339 4.550 0.001 0.000 0.288 624 Y C 2.539 178.318 175.900 -0.202 0.000 1.136 624 Y CA 1.592 59.597 58.100 -0.160 0.000 1.147 624 Y CB -0.189 38.129 38.460 -0.238 0.000 0.987 624 Y HN -0.126 nan 8.280 nan 0.000 0.509 625 K N 0.162 120.447 120.400 -0.192 0.000 2.074 625 K HA -0.306 4.014 4.320 0.001 0.000 0.209 625 K C 2.015 178.557 176.600 -0.096 0.000 1.048 625 K CA 2.282 58.483 56.287 -0.143 0.000 0.926 625 K CB -0.271 32.297 32.500 0.114 0.000 0.713 625 K HN 0.502 nan 8.250 nan 0.000 0.444 626 Q N -0.353 119.411 119.800 -0.060 0.000 2.119 626 Q HA -0.098 4.243 4.340 0.001 0.000 0.201 626 Q C 2.071 178.027 176.000 -0.072 0.000 0.972 626 Q CA 1.506 57.286 55.803 -0.038 0.000 0.847 626 Q CB -0.084 28.648 28.738 -0.011 0.000 0.903 626 Q HN 0.474 nan 8.270 nan 0.000 0.433 627 A N 0.619 123.364 122.820 -0.125 0.000 1.897 627 A HA -0.127 4.194 4.320 0.001 0.000 0.215 627 A C 1.866 179.352 177.584 -0.164 0.000 1.181 627 A CA 1.001 52.960 52.037 -0.130 0.000 0.620 627 A CB -0.259 18.658 19.000 -0.138 0.000 0.821 627 A HN 0.251 nan 8.150 nan 0.000 0.443 628 I N -0.780 119.623 120.570 -0.277 0.000 2.761 628 I HA 0.187 4.357 4.170 0.001 0.000 0.261 628 I C 1.263 177.325 176.117 -0.092 0.000 1.198 628 I CA 1.423 62.587 61.300 -0.227 0.000 1.482 628 I CB -1.725 36.044 38.000 -0.385 0.000 1.100 628 I HN 0.577 nan 8.210 nan 0.000 0.445 629 E N 0.000 120.165 120.200 -0.058 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