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 2vqu_1_B DATA FIRST_RESID 28 DATA SEQUENCE NDTSEVMLLD TGWEFSQSGT EKWMPATVPG TVHQDLISHE LLPNPFYGMN DATA SEQUENCE EKKIQWVENE DWEYRTSFIV SEEQLNRDGI QLIFEGLDTY ADVYLNGSLL DATA SEQUENCE LKADNMFVGY TLPVKSVLRK GENHLYIYFH SPIRQTLPQY ASNGFNYPAD DATA SEQUENCE NDHHEKHLSV FSRKAPYSYG WDWGIRMVTS GVWRPVTLRF YDIATISDYY DATA SEQUENCE VRQLSLTDEN ARLSNELIVN QIVPQKIPAE VRVNVSLNGT TVTEVKQQVT DATA SEQUENCE LQPGINHITL PAEVTNPVRW MPNGWGTPTL YDFSAQIACG DRIVAEQSHR DATA SEQUENCE IGLRTIRVVN EKDKDGESFY FEVNGIPMFA KGANYIPQDA LLPNVTTERY DATA SEQUENCE QTLFRDMKEA NMNMVRIWGG GTYENNLFYD LADENGILVW QDFMFACTPY DATA SEQUENCE PSDPTFLKRV EAEAVYNIRR LRNHASLAMW CGNNEILEAL KYWGFEKKFT DATA SEQUENCE PEVYQGLMHG YDKLFRELLP STVKEFDSDR FYVHSSPYLA NWGRPESWGT DATA SEQUENCE GDSHNWGVWY GKKPFESLDT DLPRFMSEFG FQSFPEMKTI AAFAAPEDYQ DATA SEQUENCE IESEVMNAHQ KSSIGNSLIR TYMERDYIIP ESFEDFVYVG LVLQGQGMRH DATA SEQUENCE GLEAHRRNRP YCMGTLYAQL NDSWPVVSWS SIDYYGNWKA LHYQAKRAFA DATA SEQUENCE PVLINPIQQN DSLSVYLISD RLDTMEQMTL EMKVVDFDGK TLGKKIQVHS DATA SEQUENCE LEVPANTSKC VYRAKLDGWL TPEDCRRSFL KLILKDKSGH QVAESVHFFR DATA SEQUENCE KTKDLQLPPT SVSYQMKQTD GKCELTLFSS MLAKDIFIET PLQGARYSDN DATA SEQUENCE FFDLLPGERK KVIITSPRIK KGEELPVNIK HIRETYKEHH 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 28 N HA 0.000 nan 4.740 nan 0.000 0.220 28 N C 0.000 175.508 175.510 -0.003 0.000 1.280 28 N CA 0.000 53.049 53.050 -0.002 0.000 0.885 28 N CB 0.000 38.482 38.487 -0.009 0.000 1.341 29 D N -0.262 120.140 120.400 0.005 0.000 2.825 29 D HA 0.211 4.852 4.640 0.000 0.000 0.327 29 D C 0.281 176.597 176.300 0.026 0.000 1.277 29 D CA 0.179 54.185 54.000 0.010 0.000 0.950 29 D CB 0.613 41.416 40.800 0.004 0.000 1.438 29 D HN 0.028 nan 8.370 nan 0.000 0.526 30 T N -2.727 111.850 114.554 0.039 0.000 3.129 30 T HA 0.203 4.553 4.350 0.000 0.000 0.251 30 T C 0.757 175.504 174.700 0.078 0.000 1.117 30 T CA 0.293 62.423 62.100 0.049 0.000 1.034 30 T CB -0.811 68.085 68.868 0.045 0.000 0.968 30 T HN 0.566 nan 8.240 nan 0.000 0.526 31 S N 0.589 116.346 115.700 0.094 0.000 2.593 31 S HA 0.298 4.768 4.470 0.000 0.000 0.269 31 S C -0.238 174.442 174.600 0.132 0.000 1.334 31 S CA -0.836 57.451 58.200 0.146 0.000 1.015 31 S CB 1.122 64.406 63.200 0.141 0.000 0.912 31 S HN 0.569 nan 8.310 nan 0.000 0.541 32 E N 0.733 121.052 120.200 0.198 0.000 2.187 32 E HA 0.543 4.893 4.350 0.000 0.000 0.268 32 E C -1.495 175.261 176.600 0.260 0.000 0.896 32 E CA -0.910 55.606 56.400 0.193 0.000 0.766 32 E CB 1.616 31.414 29.700 0.164 0.000 1.142 32 E HN 0.579 nan 8.360 nan 0.000 0.408 33 V N 4.915 124.927 119.914 0.164 0.000 2.581 33 V HA 0.457 4.577 4.120 0.000 0.000 0.303 33 V C -0.055 176.118 176.094 0.132 0.000 1.041 33 V CA -0.760 61.614 62.300 0.124 0.000 0.907 33 V CB 1.632 33.483 31.823 0.048 0.000 0.994 33 V HN 0.780 nan 8.190 nan 0.000 0.442 34 M N 4.929 124.596 119.600 0.113 0.000 2.197 34 M HA 0.556 5.036 4.480 0.000 0.000 0.301 34 M C -1.768 174.531 176.300 -0.001 0.000 0.987 34 M CA -0.559 54.794 55.300 0.089 0.000 0.921 34 M CB 1.500 34.209 32.600 0.182 0.000 1.569 34 M HN 0.560 nan 8.290 nan 0.000 0.431 35 L N 5.973 127.206 121.223 0.015 0.000 2.281 35 L HA 0.344 4.684 4.340 0.000 0.000 0.285 35 L C -0.544 176.345 176.870 0.032 0.000 1.074 35 L CA -0.365 54.483 54.840 0.014 0.000 0.817 35 L CB 1.058 43.140 42.059 0.038 0.000 1.168 35 L HN 0.750 nan 8.230 nan 0.000 0.434 36 L N 4.663 125.910 121.223 0.041 0.000 2.512 36 L HA 0.130 4.470 4.340 0.000 0.000 0.247 36 L C 0.197 177.310 176.870 0.405 0.000 1.204 36 L CA -0.145 54.778 54.840 0.138 0.000 1.153 36 L CB -0.178 41.923 42.059 0.070 0.000 1.415 36 L HN 0.674 nan 8.230 nan 0.000 0.406 37 D N -1.554 119.025 120.400 0.298 0.000 2.469 37 D HA 0.048 4.688 4.640 0.000 0.000 0.215 37 D C 0.510 177.020 176.300 0.349 0.000 1.154 37 D CA -0.019 54.165 54.000 0.306 0.000 0.832 37 D CB 0.456 41.349 40.800 0.156 0.000 1.008 37 D HN 0.305 nan 8.370 nan 0.000 0.506 38 T N -5.160 109.604 114.554 0.350 0.000 2.887 38 T HA 0.545 4.895 4.350 0.000 0.000 0.292 38 T C 0.997 175.850 174.700 0.255 0.000 1.087 38 T CA -0.375 61.902 62.100 0.295 0.000 1.009 38 T CB 1.624 70.598 68.868 0.178 0.000 1.203 38 T HN 0.301 nan 8.240 nan 0.000 0.518 39 G N -0.354 108.583 108.800 0.228 0.000 2.153 39 G HA2 -0.221 3.740 3.960 0.000 0.000 0.252 39 G HA3 -0.221 3.740 3.960 0.000 0.000 0.252 39 G C -0.196 174.803 174.900 0.165 0.000 0.994 39 G CA 0.007 45.199 45.100 0.153 0.000 0.698 39 G HN 0.768 nan 8.290 nan 0.000 0.521 40 W N 0.515 121.942 121.300 0.211 0.000 2.251 40 W HA 0.646 5.306 4.660 -0.000 0.000 0.329 40 W C 0.782 177.485 176.519 0.305 0.000 1.234 40 W CA -0.388 57.122 57.345 0.274 0.000 1.228 40 W CB 0.717 30.374 29.460 0.328 0.000 1.135 40 W HN 0.233 nan 8.180 nan 0.000 0.576 41 E N 1.538 122.100 120.200 0.603 0.000 2.410 41 E HA 0.631 4.981 4.350 0.000 0.000 0.269 41 E C -1.259 175.730 176.600 0.649 0.000 0.937 41 E CA -1.134 55.612 56.400 0.577 0.000 0.793 41 E CB 2.332 32.301 29.700 0.448 0.000 1.314 41 E HN 0.321 nan 8.360 nan 0.000 0.447 42 F N -1.396 118.679 119.950 0.208 0.000 2.650 42 F HA 0.853 5.380 4.527 0.000 0.000 0.320 42 F C -0.854 174.727 175.800 -0.365 0.000 1.091 42 F CA -0.832 56.988 58.000 -0.300 0.000 0.962 42 F CB 2.147 40.596 39.000 -0.919 0.000 1.363 42 F HN 0.352 nan 8.300 nan 0.000 0.482 43 S N 0.937 116.153 115.700 -0.806 0.000 2.543 43 S HA 0.215 4.685 4.470 0.000 0.000 0.273 43 S C -1.702 172.609 174.600 -0.480 0.000 1.152 43 S CA -0.688 56.883 58.200 -1.047 0.000 0.910 43 S CB 1.630 63.569 63.200 -2.102 0.000 1.105 43 S HN 1.032 nan 8.310 nan 0.000 0.465 44 Q N 2.826 122.370 119.800 -0.428 0.000 2.289 44 Q HA 0.282 4.622 4.340 0.000 0.000 0.273 44 Q C -0.457 175.203 176.000 -0.567 0.000 1.029 44 Q CA 0.083 55.447 55.803 -0.732 0.000 0.896 44 Q CB 0.465 28.809 28.738 -0.657 0.000 1.182 44 Q HN 0.678 nan 8.270 nan 0.000 0.385 45 S N 2.662 118.034 115.700 -0.546 0.000 2.537 45 S HA 0.291 4.761 4.470 0.000 0.000 0.286 45 S C 0.928 175.399 174.600 -0.216 0.000 1.299 45 S CA 0.533 58.557 58.200 -0.294 0.000 1.067 45 S CB 0.731 63.797 63.200 -0.222 0.000 0.864 45 S HN 1.007 nan 8.310 nan 0.000 0.494 46 G N 2.082 110.810 108.800 -0.120 0.000 2.194 46 G HA2 -0.305 3.655 3.960 0.000 0.000 0.236 46 G HA3 -0.305 3.655 3.960 0.000 0.000 0.236 46 G C 0.832 175.666 174.900 -0.109 0.000 0.987 46 G CA 0.716 45.765 45.100 -0.085 0.000 0.635 46 G HN 0.916 nan 8.290 nan 0.000 0.520 47 T N -2.856 111.595 114.554 -0.172 0.000 3.037 47 T HA 0.381 4.731 4.350 0.000 0.000 0.252 47 T C 1.253 175.866 174.700 -0.146 0.000 1.073 47 T CA 1.550 63.550 62.100 -0.167 0.000 1.091 47 T CB 0.128 68.865 68.868 -0.219 0.000 0.935 47 T HN 1.261 nan 8.240 nan 0.000 0.488 48 E N -0.411 119.688 120.200 -0.168 0.000 3.496 48 E HA -0.180 4.171 4.350 0.000 0.000 0.300 48 E C 0.055 176.606 176.600 -0.081 0.000 0.877 48 E CA 1.351 57.721 56.400 -0.050 0.000 1.050 48 E CB -2.312 27.419 29.700 0.051 0.000 1.532 48 E HN 0.914 nan 8.360 nan 0.000 0.447 49 K N -0.339 119.881 120.400 -0.300 0.000 2.213 49 K HA 0.481 4.801 4.320 0.000 0.000 0.270 49 K C -0.895 175.405 176.600 -0.501 0.000 1.002 49 K CA -0.707 55.438 56.287 -0.235 0.000 0.868 49 K CB 0.804 33.186 32.500 -0.197 0.000 1.093 49 K HN 0.151 nan 8.250 nan 0.000 0.454 50 W N 4.670 125.871 121.300 -0.165 0.000 2.666 50 W HA 0.472 5.132 4.660 0.000 0.000 0.334 50 W C -0.293 176.092 176.519 -0.224 0.000 1.051 50 W CA -0.819 56.401 57.345 -0.207 0.000 1.224 50 W CB 1.581 30.983 29.460 -0.098 0.000 1.405 50 W HN 0.180 nan 8.180 nan 0.000 0.513 51 M N 2.890 122.437 119.600 -0.089 0.000 2.531 51 M HA 0.377 4.857 4.480 0.000 0.000 0.286 51 M C -2.570 173.858 176.300 0.213 0.000 1.232 51 M CA -2.597 52.629 55.300 -0.123 0.000 0.877 51 M CB 1.834 34.123 32.600 -0.519 0.000 1.726 51 M HN 0.022 nan 8.290 nan 0.000 0.463 52 P HA 0.273 nan 4.420 nan 0.000 0.267 52 P C -1.195 176.509 177.300 0.674 0.000 1.200 52 P CA 0.010 63.393 63.100 0.472 0.000 0.772 52 P CB 0.542 32.486 31.700 0.406 0.000 0.855 53 A N 1.872 125.018 122.820 0.542 0.000 2.430 53 A HA 0.759 5.079 4.320 0.000 0.000 0.300 53 A C -0.721 177.034 177.584 0.285 0.000 1.124 53 A CA -0.385 51.891 52.037 0.399 0.000 0.766 53 A CB 1.055 20.358 19.000 0.504 0.000 1.328 53 A HN 0.403 nan 8.150 nan 0.000 0.424 54 T N 0.797 115.427 114.554 0.126 0.000 2.797 54 T HA 0.602 4.952 4.350 0.000 0.000 0.279 54 T C -0.950 173.723 174.700 -0.045 0.000 0.991 54 T CA -0.279 61.864 62.100 0.071 0.000 0.979 54 T CB 1.154 70.037 68.868 0.026 0.000 0.943 54 T HN 0.600 nan 8.240 nan 0.000 0.444 55 V N 5.419 125.280 119.914 -0.088 0.000 2.623 55 V HA 0.404 4.524 4.120 0.000 0.000 0.304 55 V C -2.387 173.630 176.094 -0.128 0.000 1.054 55 V CA -2.011 60.114 62.300 -0.293 0.000 0.882 55 V CB 2.002 33.267 31.823 -0.930 0.000 1.002 55 V HN 0.688 nan 8.190 nan 0.000 0.424 56 P HA 0.576 nan 4.420 nan 0.000 0.272 56 P C 0.182 177.409 177.300 -0.121 0.000 1.223 56 P CA 0.325 63.336 63.100 -0.149 0.000 0.784 56 P CB 0.950 32.595 31.700 -0.091 0.000 0.923 57 G N -0.183 108.525 108.800 -0.154 0.000 2.341 57 G HA2 0.584 4.544 3.960 0.000 0.000 0.299 57 G HA3 0.584 4.544 3.960 0.000 0.000 0.299 57 G C -1.516 173.268 174.900 -0.194 0.000 1.274 57 G CA -0.339 44.680 45.100 -0.135 0.000 0.853 57 G HN 0.658 nan 8.290 nan 0.000 0.493 58 T N -2.697 111.730 114.554 -0.212 0.000 2.896 58 T HA 0.571 4.921 4.350 0.000 0.000 0.297 58 T C 0.983 175.482 174.700 -0.334 0.000 1.108 58 T CA 0.073 62.013 62.100 -0.266 0.000 1.004 58 T CB 1.582 70.345 68.868 -0.174 0.000 1.159 58 T HN 0.786 nan 8.240 nan 0.000 0.499 59 V N 0.948 120.609 119.914 -0.423 0.000 2.287 59 V HA -0.201 3.919 4.120 0.000 0.000 0.248 59 V C 2.460 178.157 176.094 -0.662 0.000 1.053 59 V CA 2.160 64.071 62.300 -0.650 0.000 1.027 59 V CB -1.164 30.053 31.823 -1.009 0.000 0.646 59 V HN 0.971 nan 8.190 nan 0.000 0.447 60 H N -0.697 118.062 119.070 -0.519 0.000 2.353 60 H HA -0.177 4.379 4.556 0.000 0.000 0.300 60 H C 2.276 177.419 175.328 -0.308 0.000 1.090 60 H CA 1.895 57.698 56.048 -0.408 0.000 1.327 60 H CB -0.184 29.366 29.762 -0.353 0.000 1.383 60 H HN 0.378 nan 8.280 nan 0.000 0.508 61 Q N 0.746 120.449 119.800 -0.162 0.000 2.079 61 Q HA -0.127 4.213 4.340 0.000 0.000 0.200 61 Q C 1.382 177.262 176.000 -0.200 0.000 0.974 61 Q CA 1.635 57.348 55.803 -0.151 0.000 0.840 61 Q CB -0.107 28.564 28.738 -0.112 0.000 0.898 61 Q HN 0.403 nan 8.270 nan 0.000 0.430 62 D N -0.101 120.099 120.400 -0.333 0.000 2.104 62 D HA -0.173 4.467 4.640 0.000 0.000 0.194 62 D C 1.917 178.112 176.300 -0.174 0.000 0.994 62 D CA 1.261 54.990 54.000 -0.453 0.000 0.830 62 D CB -0.200 39.895 40.800 -1.175 0.000 0.959 62 D HN 0.311 nan 8.370 nan 0.000 0.452 63 L N 0.456 121.575 121.223 -0.172 0.000 2.017 63 L HA -0.161 4.179 4.340 0.000 0.000 0.208 63 L C 2.626 179.548 176.870 0.087 0.000 1.073 63 L CA 0.785 55.677 54.840 0.086 0.000 0.745 63 L CB -0.367 41.658 42.059 -0.056 0.000 0.894 63 L HN 0.007 nan 8.230 nan 0.000 0.432 64 I N -0.124 120.435 120.570 -0.018 0.000 2.208 64 I HA -0.326 3.844 4.170 0.000 0.000 0.245 64 I C 2.742 178.846 176.117 -0.022 0.000 1.097 64 I CA 1.679 62.972 61.300 -0.010 0.000 1.363 64 I CB -0.366 37.603 38.000 -0.051 0.000 1.051 64 I HN 0.368 nan 8.210 nan 0.000 0.413 65 S N -0.469 115.172 115.700 -0.099 0.000 2.469 65 S HA -0.191 4.279 4.470 0.000 0.000 0.238 65 S C 1.548 175.983 174.600 -0.276 0.000 0.998 65 S CA 1.070 59.145 58.200 -0.209 0.000 0.957 65 S CB -0.424 62.579 63.200 -0.328 0.000 0.764 65 S HN 0.498 nan 8.310 nan 0.000 0.514 66 H N 0.721 119.856 119.070 0.109 0.000 2.592 66 H HA 0.365 4.921 4.556 0.000 0.000 0.279 66 H C 0.010 175.403 175.328 0.110 0.000 1.089 66 H CA 0.178 56.303 56.048 0.129 0.000 1.150 66 H CB -0.055 29.822 29.762 0.192 0.000 1.575 66 H HN 0.555 nan 8.280 nan 0.000 0.547 67 E N 0.643 120.935 120.200 0.152 0.000 2.539 67 E HA -0.204 4.146 4.350 0.000 0.000 0.253 67 E C 0.382 177.075 176.600 0.156 0.000 1.145 67 E CA 0.144 56.619 56.400 0.126 0.000 0.738 67 E CB -1.364 28.397 29.700 0.102 0.000 1.308 67 E HN 0.443 nan 8.360 nan 0.000 0.409 68 L N -0.418 120.926 121.223 0.203 0.000 2.607 68 L HA 0.250 4.590 4.340 0.000 0.000 0.228 68 L C 0.686 177.727 176.870 0.284 0.000 1.123 68 L CA 0.343 55.328 54.840 0.242 0.000 0.890 68 L CB 0.239 42.480 42.059 0.303 0.000 1.103 68 L HN 0.088 nan 8.230 nan 0.000 0.468 69 L N 0.315 121.658 121.223 0.199 0.000 2.401 69 L HA 0.515 4.855 4.340 0.000 0.000 0.266 69 L C -2.301 174.645 176.870 0.126 0.000 0.991 69 L CA -1.841 53.108 54.840 0.181 0.000 0.818 69 L CB 2.551 44.664 42.059 0.090 0.000 1.321 69 L HN -0.207 nan 8.230 nan 0.000 0.413 70 P HA 0.043 nan 4.420 nan 0.000 0.274 70 P C -0.732 176.624 177.300 0.094 0.000 1.246 70 P CA -0.553 62.614 63.100 0.111 0.000 0.795 70 P CB 0.467 32.249 31.700 0.137 0.000 1.006 71 N N 2.331 121.088 118.700 0.096 0.000 2.276 71 N HA -0.076 4.664 4.740 0.000 0.000 0.279 71 N C -1.201 174.387 175.510 0.130 0.000 1.379 71 N CA -0.935 52.175 53.050 0.101 0.000 0.886 71 N CB -0.111 38.493 38.487 0.195 0.000 1.199 71 N HN 0.227 nan 8.380 nan 0.000 0.493 72 P HA -0.091 nan 4.420 nan 0.000 0.222 72 P C 0.689 178.169 177.300 0.299 0.000 1.147 72 P CA 1.004 64.123 63.100 0.031 0.000 0.790 72 P CB 0.016 31.611 31.700 -0.175 0.000 0.780 73 F N -2.216 117.900 119.950 0.277 0.000 2.776 73 F HA 0.177 4.704 4.527 0.000 0.000 0.300 73 F C 1.202 177.315 175.800 0.521 0.000 1.116 73 F CA -1.307 56.943 58.000 0.416 0.000 1.375 73 F CB -1.385 37.819 39.000 0.340 0.000 1.109 73 F HN -0.119 nan 8.300 nan 0.000 0.585 74 Y N 0.575 121.183 120.300 0.514 0.000 2.304 74 Y HA 0.458 5.009 4.550 0.000 0.000 0.328 74 Y C 1.398 177.576 175.900 0.464 0.000 1.123 74 Y CA 0.145 58.516 58.100 0.452 0.000 1.218 74 Y CB 0.589 39.229 38.460 0.300 0.000 1.207 74 Y HN 0.279 nan 8.280 nan 0.000 0.495 75 G N 4.831 113.481 108.800 -0.249 0.000 2.699 75 G HA2 -0.368 3.592 3.960 0.000 0.000 0.347 75 G HA3 -0.368 3.592 3.960 0.000 0.000 0.347 75 G C 0.615 175.719 174.900 0.339 0.000 1.225 75 G CA 1.266 46.385 45.100 0.031 0.000 0.973 75 G HN 0.593 nan 8.290 nan 0.000 0.551 76 M N 1.978 121.750 119.600 0.287 0.000 2.475 76 M HA 0.244 4.724 4.480 0.000 0.000 0.283 76 M C 1.436 177.867 176.300 0.218 0.000 1.165 76 M CA -0.221 55.216 55.300 0.228 0.000 0.976 76 M CB -0.239 32.468 32.600 0.177 0.000 1.428 76 M HN 0.358 nan 8.290 nan 0.000 0.495 77 N N 1.287 120.151 118.700 0.273 0.000 2.573 77 N HA -0.141 4.599 4.740 0.000 0.000 0.187 77 N C 1.553 177.166 175.510 0.172 0.000 1.107 77 N CA 0.605 53.797 53.050 0.238 0.000 0.918 77 N CB -0.024 38.633 38.487 0.284 0.000 0.966 77 N HN 0.549 nan 8.380 nan 0.000 0.448 78 E N 1.059 121.341 120.200 0.136 0.000 2.051 78 E HA -0.205 4.145 4.350 0.000 0.000 0.192 78 E C 1.759 178.394 176.600 0.059 0.000 0.991 78 E CA 1.054 57.484 56.400 0.051 0.000 0.799 78 E CB 0.143 29.829 29.700 -0.023 0.000 0.748 78 E HN 0.030 nan 8.360 nan 0.000 0.449 79 K N 0.722 121.172 120.400 0.083 0.000 2.152 79 K HA -0.123 4.197 4.320 0.000 0.000 0.206 79 K C 1.865 178.546 176.600 0.136 0.000 1.048 79 K CA 1.624 57.967 56.287 0.094 0.000 0.933 79 K CB -0.261 32.294 32.500 0.091 0.000 0.721 79 K HN 0.242 nan 8.250 nan 0.000 0.447 80 K N 0.115 120.609 120.400 0.156 0.000 2.365 80 K HA 0.082 4.402 4.320 0.000 0.000 0.199 80 K C 1.811 178.584 176.600 0.287 0.000 1.045 80 K CA 1.428 57.843 56.287 0.213 0.000 0.962 80 K CB -0.090 32.529 32.500 0.198 0.000 0.759 80 K HN 0.618 nan 8.250 nan 0.000 0.469 81 I N -2.929 117.740 120.570 0.166 0.000 4.082 81 I HA 0.073 4.243 4.170 0.000 0.000 0.337 81 I C 1.160 177.207 176.117 -0.117 0.000 1.352 81 I CA -0.208 61.106 61.300 0.023 0.000 1.097 81 I CB 0.357 38.366 38.000 0.014 0.000 1.048 81 I HN -0.176 nan 8.210 nan 0.000 0.393 82 Q N 1.916 121.742 119.800 0.042 0.000 2.224 82 Q HA -0.136 4.204 4.340 0.000 0.000 0.203 82 Q C 1.917 177.956 176.000 0.065 0.000 0.970 82 Q CA 1.892 57.722 55.803 0.046 0.000 0.865 82 Q CB -0.500 28.299 28.738 0.102 0.000 0.922 82 Q HN 0.917 nan 8.270 nan 0.000 0.445 83 W N 0.418 121.781 121.300 0.103 0.000 2.325 83 W HA -0.163 4.497 4.660 0.000 0.000 0.299 83 W C 1.418 178.025 176.519 0.147 0.000 1.215 83 W CA 0.856 58.265 57.345 0.107 0.000 1.244 83 W CB -1.178 28.336 29.460 0.090 0.000 1.140 83 W HN -0.112 nan 8.180 nan 0.000 0.523 84 V N 2.854 122.397 119.914 -0.619 0.000 2.324 84 V HA -0.370 3.750 4.120 0.000 0.000 0.250 84 V C 2.717 178.843 176.094 0.052 0.000 1.060 84 V CA 2.864 64.854 62.300 -0.517 0.000 1.042 84 V CB -1.258 29.917 31.823 -1.079 0.000 0.650 84 V HN 0.394 nan 8.190 nan 0.000 0.450 85 E N 0.192 120.410 120.200 0.029 0.000 2.347 85 E HA -0.194 4.156 4.350 0.000 0.000 0.196 85 E C 1.474 178.163 176.600 0.148 0.000 1.008 85 E CA 1.210 57.663 56.400 0.089 0.000 0.852 85 E CB -0.322 29.390 29.700 0.020 0.000 0.783 85 E HN 0.597 nan 8.360 nan 0.000 0.505 86 N N 0.705 119.512 118.700 0.179 0.000 2.412 86 N HA 0.034 4.774 4.740 0.000 0.000 0.184 86 N C -0.156 175.438 175.510 0.141 0.000 1.101 86 N CA 0.461 53.611 53.050 0.168 0.000 0.881 86 N CB 0.318 38.912 38.487 0.178 0.000 0.969 86 N HN 0.246 nan 8.380 nan 0.000 0.459 87 E N 0.611 120.904 120.200 0.154 0.000 2.232 87 E HA 0.271 4.622 4.350 0.000 0.000 0.264 87 E C -0.603 175.886 176.600 -0.186 0.000 0.973 87 E CA -0.464 55.878 56.400 -0.097 0.000 0.849 87 E CB 1.178 30.665 29.700 -0.355 0.000 1.198 87 E HN -0.020 nan 8.360 nan 0.000 0.407 88 D N 0.045 120.219 120.400 -0.377 0.000 2.277 88 D HA 0.435 5.075 4.640 0.000 0.000 0.250 88 D C -0.694 175.173 176.300 -0.721 0.000 1.032 88 D CA -0.096 53.701 54.000 -0.338 0.000 0.947 88 D CB 0.701 41.342 40.800 -0.265 0.000 1.159 88 D HN 0.203 nan 8.370 nan 0.000 0.460 89 W N 0.275 121.476 121.300 -0.164 0.000 2.998 89 W HA 0.346 5.006 4.660 0.000 0.000 0.335 89 W C -0.142 176.388 176.519 0.019 0.000 1.110 89 W CA -0.723 56.595 57.345 -0.046 0.000 1.230 89 W CB 1.441 30.964 29.460 0.105 0.000 1.405 89 W HN 0.057 nan 8.180 nan 0.000 0.493 90 E N 1.694 121.986 120.200 0.154 0.000 2.212 90 E HA 0.529 4.879 4.350 0.000 0.000 0.268 90 E C -1.580 175.159 176.600 0.232 0.000 0.902 90 E CA -1.116 55.411 56.400 0.211 0.000 0.779 90 E CB 2.359 32.149 29.700 0.150 0.000 1.172 90 E HN 0.357 nan 8.360 nan 0.000 0.409 91 Y N 0.937 121.487 120.300 0.416 0.000 2.477 91 Y HA 0.460 5.010 4.550 0.000 0.000 0.347 91 Y C -0.213 175.934 175.900 0.411 0.000 0.981 91 Y CA -0.967 57.489 58.100 0.592 0.000 1.033 91 Y CB 2.028 40.891 38.460 0.672 0.000 1.245 91 Y HN 0.445 nan 8.280 nan 0.000 0.455 92 R N 0.613 121.448 120.500 0.558 0.000 2.626 92 R HA 0.819 5.159 4.340 0.000 0.000 0.274 92 R C -1.839 174.447 176.300 -0.023 0.000 1.031 92 R CA -0.758 55.414 56.100 0.118 0.000 0.898 92 R CB 2.287 32.415 30.300 -0.286 0.000 1.222 92 R HN 0.620 nan 8.270 nan 0.000 0.455 93 T N 0.342 114.671 114.554 -0.375 0.000 2.883 93 T HA 0.599 4.949 4.350 0.000 0.000 0.296 93 T C -1.124 173.476 174.700 -0.166 0.000 1.117 93 T CA -0.397 61.419 62.100 -0.472 0.000 1.006 93 T CB 1.700 69.813 68.868 -1.259 0.000 1.191 93 T HN 0.810 nan 8.240 nan 0.000 0.508 94 S N 1.479 117.124 115.700 -0.093 0.000 2.634 94 S HA 0.954 5.424 4.470 0.000 0.000 0.296 94 S C -1.136 173.472 174.600 0.013 0.000 1.104 94 S CA -0.790 57.350 58.200 -0.101 0.000 0.920 94 S CB 1.496 64.625 63.200 -0.118 0.000 1.111 94 S HN 0.894 nan 8.310 nan 0.000 0.493 95 F N -0.977 118.888 119.950 -0.142 0.000 2.693 95 F HA 0.725 5.252 4.527 -0.000 0.000 0.309 95 F C -1.607 174.150 175.800 -0.071 0.000 1.129 95 F CA -1.525 56.426 58.000 -0.082 0.000 0.948 95 F CB 0.844 39.816 39.000 -0.046 0.000 1.315 95 F HN 0.426 nan 8.300 nan 0.000 0.447 96 I N 3.247 123.892 120.570 0.126 0.000 2.353 96 I HA 0.536 4.706 4.170 0.000 0.000 0.293 96 I C -0.415 175.787 176.117 0.142 0.000 0.992 96 I CA -1.034 60.287 61.300 0.035 0.000 1.268 96 I CB 1.319 39.329 38.000 0.017 0.000 1.387 96 I HN 0.516 nan 8.210 nan 0.000 0.478 97 V N 5.152 125.114 119.914 0.080 0.000 2.495 97 V HA 0.380 4.500 4.120 0.000 0.000 0.298 97 V C 0.508 176.605 176.094 0.005 0.000 1.031 97 V CA -0.579 61.785 62.300 0.106 0.000 0.871 97 V CB 1.820 33.772 31.823 0.215 0.000 0.988 97 V HN 0.957 nan 8.190 nan 0.000 0.432 98 S N 2.664 118.331 115.700 -0.056 0.000 2.681 98 S HA 0.266 4.736 4.470 0.000 0.000 0.270 98 S C 1.063 175.630 174.600 -0.055 0.000 1.209 98 S CA 0.113 58.275 58.200 -0.064 0.000 0.988 98 S CB 1.253 64.397 63.200 -0.095 0.000 1.006 98 S HN 0.865 nan 8.310 nan 0.000 0.558 99 E N 0.425 120.599 120.200 -0.044 0.000 2.106 99 E HA -0.205 4.145 4.350 0.000 0.000 0.192 99 E C 1.428 178.001 176.600 -0.044 0.000 0.984 99 E CA 1.368 57.749 56.400 -0.032 0.000 0.806 99 E CB -0.250 29.435 29.700 -0.025 0.000 0.750 99 E HN 0.769 nan 8.360 nan 0.000 0.458 100 E N 0.777 120.938 120.200 -0.065 0.000 2.085 100 E HA -0.205 4.145 4.350 0.000 0.000 0.194 100 E C 2.145 178.682 176.600 -0.106 0.000 0.994 100 E CA 1.532 57.886 56.400 -0.076 0.000 0.801 100 E CB -0.106 29.541 29.700 -0.088 0.000 0.743 100 E HN 0.344 nan 8.360 nan 0.000 0.453 101 Q N -0.161 119.528 119.800 -0.186 0.000 2.119 101 Q HA -0.058 4.282 4.340 0.000 0.000 0.201 101 Q C 2.158 178.144 176.000 -0.024 0.000 0.972 101 Q CA 0.835 56.449 55.803 -0.315 0.000 0.847 101 Q CB -0.072 28.245 28.738 -0.703 0.000 0.903 101 Q HN 0.292 nan 8.270 nan 0.000 0.433 102 L N 0.332 121.562 121.223 0.011 0.000 2.275 102 L HA -0.161 4.179 4.340 0.000 0.000 0.215 102 L C 1.179 178.072 176.870 0.037 0.000 1.119 102 L CA 0.852 55.731 54.840 0.064 0.000 0.790 102 L CB -0.138 41.946 42.059 0.042 0.000 0.919 102 L HN 0.271 nan 8.230 nan 0.000 0.443 103 N N -1.089 117.615 118.700 0.007 0.000 2.398 103 N HA -0.003 4.738 4.740 0.000 0.000 0.188 103 N C 0.096 175.602 175.510 -0.007 0.000 1.122 103 N CA -0.206 52.843 53.050 -0.003 0.000 0.866 103 N CB 0.345 38.824 38.487 -0.013 0.000 0.970 103 N HN 0.065 nan 8.380 nan 0.000 0.462 104 R N 0.979 121.484 120.500 0.009 0.000 2.738 104 R HA 0.012 4.352 4.340 0.000 0.000 0.268 104 R C 0.591 176.843 176.300 -0.080 0.000 1.062 104 R CA 0.037 56.129 56.100 -0.013 0.000 1.158 104 R CB 0.241 30.573 30.300 0.053 0.000 1.046 104 R HN 0.158 nan 8.270 nan 0.000 0.493 105 D N 0.271 120.583 120.400 -0.146 0.000 2.144 105 D HA -0.041 4.599 4.640 0.000 0.000 0.199 105 D C 0.870 176.982 176.300 -0.314 0.000 0.984 105 D CA 1.484 55.372 54.000 -0.186 0.000 0.834 105 D CB 0.136 40.840 40.800 -0.159 0.000 0.955 105 D HN 0.633 nan 8.370 nan 0.000 0.465 106 G N -0.572 107.834 108.800 -0.656 0.000 2.612 106 G HA2 0.635 4.595 3.960 0.000 0.000 0.298 106 G HA3 0.635 4.595 3.960 0.000 0.000 0.298 106 G C -1.199 173.358 174.900 -0.573 0.000 1.336 106 G CA -0.576 44.049 45.100 -0.791 0.000 0.953 106 G HN 0.015 nan 8.290 nan 0.000 0.482 107 I N 0.599 121.062 120.570 -0.177 0.000 2.534 107 I HA 0.333 4.503 4.170 0.000 0.000 0.288 107 I C -0.656 175.445 176.117 -0.027 0.000 1.077 107 I CA -0.583 60.645 61.300 -0.120 0.000 1.051 107 I CB 2.485 40.395 38.000 -0.151 0.000 1.234 107 I HN 0.319 nan 8.210 nan 0.000 0.425 108 Q N 4.604 124.386 119.800 -0.030 0.000 2.337 108 Q HA 0.597 4.937 4.340 0.000 0.000 0.266 108 Q C -1.337 174.585 176.000 -0.130 0.000 1.023 108 Q CA -0.974 54.819 55.803 -0.017 0.000 0.829 108 Q CB 3.344 32.093 28.738 0.019 0.000 1.306 108 Q HN 0.410 nan 8.270 nan 0.000 0.449 109 L N 3.770 124.939 121.223 -0.091 0.000 2.282 109 L HA 0.544 4.884 4.340 0.000 0.000 0.288 109 L C -1.437 175.331 176.870 -0.171 0.000 1.033 109 L CA -0.076 54.661 54.840 -0.172 0.000 0.807 109 L CB 0.975 42.978 42.059 -0.093 0.000 1.209 109 L HN 0.566 nan 8.230 nan 0.000 0.423 110 I N 5.530 125.922 120.570 -0.296 0.000 2.418 110 I HA 0.315 4.485 4.170 0.000 0.000 0.287 110 I C -1.148 174.775 176.117 -0.323 0.000 1.008 110 I CA -0.260 60.933 61.300 -0.179 0.000 1.104 110 I CB 1.305 39.243 38.000 -0.105 0.000 1.264 110 I HN 0.415 nan 8.210 nan 0.000 0.438 111 F N 4.853 124.852 119.950 0.082 0.000 2.308 111 F HA 0.322 4.849 4.527 0.000 0.000 0.370 111 F C 1.403 177.224 175.800 0.035 0.000 1.100 111 F CA -0.475 57.579 58.000 0.090 0.000 1.108 111 F CB 0.999 40.100 39.000 0.169 0.000 1.293 111 F HN 0.506 nan 8.300 nan 0.000 0.478 112 E N 2.162 122.408 120.200 0.077 0.000 2.333 112 E HA 0.061 4.411 4.350 0.000 0.000 0.198 112 E C 0.841 177.383 176.600 -0.096 0.000 1.007 112 E CA 0.541 56.928 56.400 -0.021 0.000 0.845 112 E CB 0.218 29.870 29.700 -0.080 0.000 0.766 112 E HN 0.721 nan 8.360 nan 0.000 0.507 113 G N 0.477 109.259 108.800 -0.029 0.000 2.617 113 G HA2 0.433 4.393 3.960 0.000 0.000 0.305 113 G HA3 0.433 4.393 3.960 0.000 0.000 0.305 113 G C -1.502 173.598 174.900 0.334 0.000 1.436 113 G CA -0.832 44.279 45.100 0.018 0.000 1.036 113 G HN -0.044 nan 8.290 nan 0.000 0.589 114 L N 2.127 123.652 121.223 0.504 0.000 2.356 114 L HA 0.528 4.868 4.340 0.000 0.000 0.277 114 L C -1.142 175.946 176.870 0.363 0.000 0.996 114 L CA -0.907 54.200 54.840 0.445 0.000 0.822 114 L CB 2.481 44.647 42.059 0.178 0.000 1.256 114 L HN 0.514 nan 8.230 nan 0.000 0.413 115 D N 1.566 122.144 120.400 0.296 0.000 2.461 115 D HA 0.387 5.027 4.640 0.000 0.000 0.240 115 D C -0.021 176.347 176.300 0.113 0.000 1.094 115 D CA -0.138 53.831 54.000 -0.051 0.000 0.868 115 D CB 1.521 42.108 40.800 -0.356 0.000 1.062 115 D HN 0.499 nan 8.370 nan 0.000 0.530 116 T N 2.085 116.739 114.554 0.167 0.000 3.408 116 T HA 0.063 4.413 4.350 0.000 0.000 0.273 116 T C -0.135 174.464 174.700 -0.170 0.000 0.983 116 T CA 0.091 62.120 62.100 -0.119 0.000 1.087 116 T CB -0.129 68.505 68.868 -0.391 0.000 1.170 116 T HN 0.221 nan 8.240 nan 0.000 0.456 117 Y N 2.879 123.307 120.300 0.212 0.000 2.636 117 Y HA 0.658 5.208 4.550 0.000 0.000 0.341 117 Y C 0.303 176.326 175.900 0.205 0.000 1.169 117 Y CA -1.140 57.072 58.100 0.186 0.000 1.498 117 Y CB -0.175 38.407 38.460 0.202 0.000 1.362 117 Y HN 0.199 nan 8.280 nan 0.000 0.494 118 A N 2.546 125.394 122.820 0.047 0.000 2.304 118 A HA 0.518 4.838 4.320 0.000 0.000 0.314 118 A C -0.908 176.548 177.584 -0.213 0.000 1.187 118 A CA -0.936 50.919 52.037 -0.304 0.000 0.810 118 A CB 0.501 19.039 19.000 -0.771 0.000 1.183 118 A HN 0.459 nan 8.150 nan 0.000 0.487 119 D N 2.251 122.599 120.400 -0.086 0.000 2.313 119 D HA 0.375 5.015 4.640 0.000 0.000 0.239 119 D C -0.450 175.636 176.300 -0.358 0.000 1.142 119 D CA 0.181 54.060 54.000 -0.201 0.000 0.847 119 D CB 1.708 42.496 40.800 -0.019 0.000 1.082 119 D HN 0.155 nan 8.370 nan 0.000 0.480 120 V N 3.947 123.580 119.914 -0.468 0.000 2.350 120 V HA 0.229 4.349 4.120 0.000 0.000 0.276 120 V C -0.671 175.253 176.094 -0.284 0.000 1.028 120 V CA -0.657 61.472 62.300 -0.285 0.000 0.860 120 V CB 0.148 31.785 31.823 -0.310 0.000 0.990 120 V HN 0.343 nan 8.190 nan 0.000 0.453 121 Y N 5.181 125.588 120.300 0.179 0.000 2.352 121 Y HA 0.721 5.271 4.550 0.000 0.000 0.339 121 Y C -0.267 175.759 175.900 0.211 0.000 0.992 121 Y CA -0.961 57.239 58.100 0.166 0.000 1.100 121 Y CB 1.889 40.438 38.460 0.148 0.000 1.192 121 Y HN 0.508 nan 8.280 nan 0.000 0.458 122 L N 4.741 126.148 121.223 0.306 0.000 2.404 122 L HA 0.508 4.848 4.340 0.000 0.000 0.272 122 L C -0.484 176.497 176.870 0.185 0.000 0.980 122 L CA -0.593 54.401 54.840 0.256 0.000 0.836 122 L CB 0.949 43.153 42.059 0.243 0.000 1.238 122 L HN 0.728 nan 8.230 nan 0.000 0.408 123 N N 4.191 122.986 118.700 0.158 0.000 2.721 123 N HA -0.212 4.528 4.740 0.000 0.000 0.249 123 N C 0.960 176.526 175.510 0.094 0.000 1.072 123 N CA 1.487 54.600 53.050 0.106 0.000 0.710 123 N CB -1.236 37.288 38.487 0.062 0.000 0.993 123 N HN 1.287 nan 8.380 nan 0.000 0.547 124 G N -2.070 106.797 108.800 0.111 0.000 2.175 124 G HA2 -0.271 3.689 3.960 0.000 0.000 0.244 124 G HA3 -0.271 3.689 3.960 0.000 0.000 0.244 124 G C -0.023 174.955 174.900 0.128 0.000 0.982 124 G CA 0.483 45.634 45.100 0.085 0.000 0.641 124 G HN 0.830 nan 8.290 nan 0.000 0.527 125 S N 0.059 115.853 115.700 0.157 0.000 2.457 125 S HA 0.618 5.088 4.470 0.000 0.000 0.289 125 S C 0.182 174.889 174.600 0.177 0.000 1.163 125 S CA -0.590 57.694 58.200 0.141 0.000 1.078 125 S CB 0.964 64.226 63.200 0.104 0.000 0.987 125 S HN 1.134 nan 8.310 nan 0.000 0.482 126 L N 7.460 128.768 121.223 0.142 0.000 2.515 126 L HA 0.296 4.636 4.340 0.000 0.000 0.281 126 L C 0.682 177.512 176.870 -0.067 0.000 1.131 126 L CA 0.473 55.286 54.840 -0.045 0.000 0.905 126 L CB -0.284 41.749 42.059 -0.044 0.000 1.246 126 L HN 0.839 nan 8.230 nan 0.000 0.463 127 L N 4.780 125.954 121.223 -0.082 0.000 2.156 127 L HA 0.095 4.435 4.340 0.000 0.000 0.208 127 L C 0.076 176.893 176.870 -0.087 0.000 1.095 127 L CA 0.391 55.211 54.840 -0.033 0.000 0.770 127 L CB -0.202 41.882 42.059 0.042 0.000 0.914 127 L HN 0.579 nan 8.230 nan 0.000 0.439 128 L N -0.536 120.575 121.223 -0.186 0.000 2.735 128 L HA 0.282 4.622 4.340 0.000 0.000 0.258 128 L C -1.428 175.269 176.870 -0.288 0.000 0.920 128 L CA -0.440 54.255 54.840 -0.242 0.000 0.958 128 L CB 1.506 43.360 42.059 -0.342 0.000 1.499 128 L HN -0.108 nan 8.230 nan 0.000 0.441 129 K N 4.519 124.788 120.400 -0.218 0.000 2.300 129 K HA 0.755 5.075 4.320 0.000 0.000 0.264 129 K C -0.218 176.266 176.600 -0.193 0.000 1.083 129 K CA -0.323 55.864 56.287 -0.167 0.000 0.958 129 K CB 1.290 33.746 32.500 -0.074 0.000 1.318 129 K HN 0.687 nan 8.250 nan 0.000 0.448 130 A N 2.557 125.194 122.820 -0.305 0.000 2.371 130 A HA 0.179 4.499 4.320 0.000 0.000 0.257 130 A C 0.157 177.691 177.584 -0.083 0.000 1.089 130 A CA -0.261 51.555 52.037 -0.369 0.000 0.794 130 A CB 0.217 18.892 19.000 -0.542 0.000 1.029 130 A HN 0.821 nan 8.150 nan 0.000 0.488 131 D N -0.093 120.315 120.400 0.012 0.000 2.740 131 D HA 0.105 4.745 4.640 0.000 0.000 0.305 131 D C -0.739 175.498 176.300 -0.106 0.000 1.583 131 D CA -0.282 53.682 54.000 -0.060 0.000 0.790 131 D CB -0.305 40.576 40.800 0.134 0.000 1.187 131 D HN 0.261 nan 8.370 nan 0.000 0.447 132 N N 1.054 119.730 118.700 -0.039 0.000 2.655 132 N HA 0.106 4.846 4.740 0.000 0.000 0.277 132 N C 0.242 175.680 175.510 -0.120 0.000 1.177 132 N CA -0.263 52.737 53.050 -0.083 0.000 0.882 132 N CB 1.512 39.998 38.487 -0.001 0.000 1.481 132 N HN 0.070 nan 8.380 nan 0.000 0.547 133 M N 2.489 121.861 119.600 -0.379 0.000 2.346 133 M HA -0.029 4.451 4.480 0.000 0.000 0.263 133 M C -0.149 176.096 176.300 -0.091 0.000 1.064 133 M CA 1.785 56.851 55.300 -0.389 0.000 1.083 133 M CB 0.004 32.073 32.600 -0.885 0.000 1.399 133 M HN 0.378 nan 8.290 nan 0.000 0.435 134 F N -0.626 119.429 119.950 0.175 0.000 2.693 134 F HA 0.271 4.798 4.527 -0.000 0.000 0.303 134 F C 0.190 175.994 175.800 0.007 0.000 1.097 134 F CA -0.409 57.744 58.000 0.256 0.000 1.330 134 F CB -0.450 38.738 39.000 0.313 0.000 1.067 134 F HN -0.230 nan 8.300 nan 0.000 0.565 135 V N 0.085 119.922 119.914 -0.129 0.000 2.483 135 V HA 0.670 4.790 4.120 0.000 0.000 0.295 135 V C 0.611 176.082 176.094 -1.038 0.000 1.035 135 V CA -1.068 60.776 62.300 -0.760 0.000 0.896 135 V CB 1.272 32.619 31.823 -0.793 0.000 0.986 135 V HN 0.204 nan 8.190 nan 0.000 0.447 136 G N 3.266 111.024 108.800 -1.735 0.000 2.338 136 G HA2 0.522 4.482 3.960 0.000 0.000 0.298 136 G HA3 0.522 4.482 3.960 0.000 0.000 0.298 136 G C -1.288 173.197 174.900 -0.691 0.000 1.140 136 G CA -0.131 44.428 45.100 -0.902 0.000 0.860 136 G HN 0.535 nan 8.290 nan 0.000 0.470 137 Y N 0.604 120.861 120.300 -0.071 0.000 2.352 137 Y HA 0.481 5.031 4.550 -0.000 0.000 0.339 137 Y C 0.687 176.638 175.900 0.086 0.000 0.992 137 Y CA -0.597 57.518 58.100 0.026 0.000 1.100 137 Y CB 2.506 41.020 38.460 0.090 0.000 1.192 137 Y HN 0.368 nan 8.280 nan 0.000 0.458 138 T N 5.592 120.267 114.554 0.202 0.000 2.791 138 T HA 0.595 4.945 4.350 0.000 0.000 0.288 138 T C -0.716 174.062 174.700 0.130 0.000 0.999 138 T CA -0.634 61.541 62.100 0.126 0.000 0.952 138 T CB 0.170 69.078 68.868 0.067 0.000 0.938 138 T HN 0.376 nan 8.240 nan 0.000 0.444 139 L N 5.846 127.141 121.223 0.119 0.000 2.349 139 L HA 0.479 4.819 4.340 0.000 0.000 0.278 139 L C -2.274 174.644 176.870 0.080 0.000 0.996 139 L CA -2.514 52.395 54.840 0.114 0.000 0.825 139 L CB 1.995 44.146 42.059 0.154 0.000 1.243 139 L HN 0.331 nan 8.230 nan 0.000 0.412 140 P HA 0.044 nan 4.420 nan 0.000 0.276 140 P C 0.268 177.605 177.300 0.061 0.000 1.253 140 P CA -0.069 63.074 63.100 0.072 0.000 0.766 140 P CB 1.532 33.276 31.700 0.073 0.000 0.845 141 V N 0.916 120.858 119.914 0.047 0.000 3.398 141 V HA 0.171 4.292 4.120 0.000 0.000 0.298 141 V C 2.022 178.148 176.094 0.053 0.000 1.496 141 V CA 0.138 62.473 62.300 0.058 0.000 1.044 141 V CB -0.486 31.381 31.823 0.074 0.000 0.880 141 V HN 0.327 nan 8.190 nan 0.000 0.443 142 K N 2.710 123.129 120.400 0.032 0.000 2.059 142 K HA -0.254 4.066 4.320 0.000 0.000 0.212 142 K C 2.167 178.795 176.600 0.047 0.000 1.050 142 K CA 2.694 59.002 56.287 0.036 0.000 0.927 142 K CB -0.272 32.230 32.500 0.003 0.000 0.714 142 K HN 0.757 nan 8.250 nan 0.000 0.447 143 S N -0.117 115.606 115.700 0.039 0.000 2.522 143 S HA -0.049 4.421 4.470 0.000 0.000 0.227 143 S C 1.783 176.410 174.600 0.044 0.000 0.986 143 S CA 0.632 58.855 58.200 0.037 0.000 0.929 143 S CB 0.143 63.361 63.200 0.030 0.000 0.769 143 S HN 0.317 nan 8.310 nan 0.000 0.529 144 V N -1.164 118.784 119.914 0.057 0.000 3.590 144 V HA 0.451 4.571 4.120 0.000 0.000 0.265 144 V C 0.619 176.752 176.094 0.065 0.000 1.239 144 V CA -0.269 62.069 62.300 0.063 0.000 1.117 144 V CB -0.737 31.133 31.823 0.077 0.000 0.818 144 V HN 0.411 nan 8.190 nan 0.000 0.451 145 L N 1.595 122.864 121.223 0.076 0.000 2.453 145 L HA 0.476 4.816 4.340 0.000 0.000 0.261 145 L C 0.504 177.401 176.870 0.045 0.000 1.179 145 L CA -0.040 54.850 54.840 0.083 0.000 0.813 145 L CB 0.672 42.820 42.059 0.148 0.000 1.110 145 L HN 0.281 nan 8.230 nan 0.000 0.466 146 R N 1.033 121.539 120.500 0.010 0.000 2.807 146 R HA 0.371 4.711 4.340 0.000 0.000 0.276 146 R C -0.999 175.291 176.300 -0.018 0.000 0.979 146 R CA -1.106 54.987 56.100 -0.011 0.000 0.928 146 R CB 2.093 32.370 30.300 -0.037 0.000 1.191 146 R HN 0.376 nan 8.270 nan 0.000 0.471 147 K N 1.016 121.409 120.400 -0.012 0.000 2.401 147 K HA 0.280 4.600 4.320 0.000 0.000 0.278 147 K C 0.454 177.029 176.600 -0.043 0.000 1.018 147 K CA 1.227 57.504 56.287 -0.018 0.000 0.981 147 K CB 0.471 32.963 32.500 -0.013 0.000 0.933 147 K HN 0.736 nan 8.250 nan 0.000 0.477 148 G N 2.511 111.282 108.800 -0.049 0.000 2.488 148 G HA2 -0.256 3.705 3.960 0.000 0.000 0.237 148 G HA3 -0.256 3.705 3.960 0.000 0.000 0.237 148 G C -0.791 174.027 174.900 -0.136 0.000 1.209 148 G CA -0.351 44.706 45.100 -0.071 0.000 0.929 148 G HN 0.700 nan 8.290 nan 0.000 0.578 149 E N 1.294 121.386 120.200 -0.180 0.000 2.360 149 E HA 0.293 4.643 4.350 0.000 0.000 0.269 149 E C -0.103 176.181 176.600 -0.528 0.000 1.022 149 E CA -0.065 56.135 56.400 -0.333 0.000 0.887 149 E CB 0.167 29.704 29.700 -0.273 0.000 0.990 149 E HN 0.421 nan 8.360 nan 0.000 0.426 150 N N 2.159 120.357 118.700 -0.836 0.000 2.225 150 N HA 0.289 5.029 4.740 0.000 0.000 0.298 150 N C -1.290 173.606 175.510 -1.023 0.000 1.076 150 N CA -0.636 51.856 53.050 -0.930 0.000 0.792 150 N CB 1.550 39.346 38.487 -1.152 0.000 1.498 150 N HN 0.410 nan 8.380 nan 0.000 0.474 151 H N 1.486 120.389 119.070 -0.278 0.000 2.589 151 H HA 0.325 4.881 4.556 0.000 0.000 0.335 151 H C -0.841 174.516 175.328 0.048 0.000 1.019 151 H CA -0.540 55.443 56.048 -0.109 0.000 1.213 151 H CB 2.288 32.021 29.762 -0.048 0.000 1.472 151 H HN 0.339 nan 8.280 nan 0.000 0.508 152 L N 4.540 125.898 121.223 0.224 0.000 2.313 152 L HA 0.382 4.722 4.340 0.000 0.000 0.283 152 L C -1.646 175.444 176.870 0.367 0.000 1.013 152 L CA -0.650 54.384 54.840 0.323 0.000 0.816 152 L CB 0.960 43.218 42.059 0.331 0.000 1.236 152 L HN 0.538 nan 8.230 nan 0.000 0.419 153 Y N 5.097 125.602 120.300 0.341 0.000 2.442 153 Y HA 0.727 5.277 4.550 0.000 0.000 0.344 153 Y C -0.948 175.243 175.900 0.486 0.000 0.976 153 Y CA -0.808 57.534 58.100 0.402 0.000 1.040 153 Y CB 1.702 40.351 38.460 0.316 0.000 1.228 153 Y HN 0.542 nan 8.280 nan 0.000 0.451 154 I N 6.212 127.141 120.570 0.597 0.000 2.499 154 I HA 0.215 4.386 4.170 0.000 0.000 0.288 154 I C -1.603 174.781 176.117 0.446 0.000 1.048 154 I CA -0.979 60.575 61.300 0.422 0.000 1.062 154 I CB 2.007 40.121 38.000 0.191 0.000 1.238 154 I HN 0.578 nan 8.210 nan 0.000 0.426 155 Y N 6.375 126.819 120.300 0.240 0.000 2.369 155 Y HA 0.483 5.033 4.550 0.000 0.000 0.337 155 Y C -1.055 174.808 175.900 -0.061 0.000 0.961 155 Y CA -0.519 57.706 58.100 0.209 0.000 1.186 155 Y CB 0.778 39.370 38.460 0.218 0.000 1.139 155 Y HN 0.344 nan 8.280 nan 0.000 0.494 156 F N 5.621 125.576 119.950 0.009 0.000 2.350 156 F HA 0.249 4.776 4.527 -0.000 0.000 0.365 156 F C 0.477 176.293 175.800 0.028 0.000 1.122 156 F CA -0.536 57.535 58.000 0.119 0.000 1.139 156 F CB 0.201 39.315 39.000 0.190 0.000 1.220 156 F HN 0.452 nan 8.300 nan 0.000 0.499 157 H N 1.233 120.563 119.070 0.432 0.000 2.848 157 H HA -0.009 4.548 4.556 0.000 0.000 0.341 157 H C 0.534 176.068 175.328 0.342 0.000 1.060 157 H CA -0.192 56.089 56.048 0.387 0.000 1.444 157 H CB 1.293 31.257 29.762 0.338 0.000 1.446 157 H HN 0.499 nan 8.280 nan 0.000 0.583 158 S N 4.071 119.986 115.700 0.358 0.000 2.575 158 S HA -0.030 4.440 4.470 0.000 0.000 0.295 158 S C -1.218 173.557 174.600 0.292 0.000 1.267 158 S CA -1.219 57.156 58.200 0.292 0.000 1.074 158 S CB 0.515 63.837 63.200 0.204 0.000 0.829 158 S HN 0.512 nan 8.310 nan 0.000 0.497 159 P HA -0.066 nan 4.420 nan 0.000 0.223 159 P C 1.342 178.789 177.300 0.246 0.000 1.151 159 P CA 0.707 64.038 63.100 0.385 0.000 0.787 159 P CB -0.040 31.858 31.700 0.331 0.000 0.788 160 I N 0.209 120.875 120.570 0.161 0.000 2.206 160 I HA -0.082 4.088 4.170 0.000 0.000 0.239 160 I C 2.570 178.727 176.117 0.067 0.000 1.078 160 I CA 1.188 62.544 61.300 0.094 0.000 1.367 160 I CB -1.435 36.595 38.000 0.050 0.000 1.078 160 I HN -0.023 nan 8.210 nan 0.000 0.413 161 R N 0.730 121.279 120.500 0.081 0.000 2.127 161 R HA -0.222 4.118 4.340 0.000 0.000 0.238 161 R C 2.165 178.472 176.300 0.012 0.000 1.134 161 R CA 1.266 57.403 56.100 0.062 0.000 0.975 161 R CB -0.514 29.843 30.300 0.095 0.000 0.865 161 R HN 0.402 nan 8.270 nan 0.000 0.447 162 Q N 0.753 120.540 119.800 -0.022 0.000 2.124 162 Q HA -0.112 4.228 4.340 0.000 0.000 0.202 162 Q C 1.544 177.418 176.000 -0.210 0.000 0.977 162 Q CA 2.179 57.858 55.803 -0.207 0.000 0.850 162 Q CB 0.082 28.496 28.738 -0.539 0.000 0.901 162 Q HN 0.449 nan 8.270 nan 0.000 0.429 163 T N -3.074 111.421 114.554 -0.099 0.000 3.054 163 T HA 0.219 4.569 4.350 0.000 0.000 0.255 163 T C 1.580 176.246 174.700 -0.056 0.000 1.035 163 T CA -0.167 61.884 62.100 -0.082 0.000 0.941 163 T CB -0.054 68.862 68.868 0.081 0.000 1.026 163 T HN 0.174 nan 8.240 nan 0.000 0.533 164 L N 1.438 122.657 121.223 -0.007 0.000 2.013 164 L HA -0.039 4.301 4.340 0.000 0.000 0.212 164 L C -0.255 176.629 176.870 0.024 0.000 1.073 164 L CA 1.681 56.546 54.840 0.042 0.000 0.753 164 L CB -1.464 40.625 42.059 0.049 0.000 0.890 164 L HN 0.261 nan 8.230 nan 0.000 0.432 165 P HA -0.184 nan 4.420 nan 0.000 0.219 165 P C 1.462 178.673 177.300 -0.147 0.000 1.150 165 P CA 1.235 64.291 63.100 -0.072 0.000 0.814 165 P CB 0.027 31.680 31.700 -0.079 0.000 0.787 166 Q N -1.106 118.552 119.800 -0.236 0.000 2.050 166 Q HA -0.225 4.115 4.340 0.000 0.000 0.202 166 Q C 2.314 177.972 176.000 -0.571 0.000 0.980 166 Q CA 1.414 56.955 55.803 -0.437 0.000 0.840 166 Q CB -0.670 27.691 28.738 -0.628 0.000 0.898 166 Q HN 0.116 nan 8.270 nan 0.000 0.424 167 Y N 0.401 120.327 120.300 -0.623 0.000 2.097 167 Y HA -0.291 4.259 4.550 0.000 0.000 0.282 167 Y C 2.063 177.867 175.900 -0.161 0.000 1.152 167 Y CA 1.889 59.793 58.100 -0.326 0.000 1.136 167 Y CB -0.807 37.622 38.460 -0.051 0.000 0.975 167 Y HN 0.204 nan 8.280 nan 0.000 0.498 168 A N -0.123 122.572 122.820 -0.207 0.000 1.958 168 A HA -0.301 4.019 4.320 0.000 0.000 0.221 168 A C 2.474 179.911 177.584 -0.244 0.000 1.178 168 A CA 2.734 54.639 52.037 -0.219 0.000 0.642 168 A CB -1.526 17.439 19.000 -0.058 0.000 0.816 168 A HN 0.674 nan 8.150 nan 0.000 0.453 169 S N -0.435 115.129 115.700 -0.227 0.000 2.481 169 S HA -0.129 4.341 4.470 0.000 0.000 0.231 169 S C 1.638 176.119 174.600 -0.198 0.000 0.996 169 S CA 1.295 59.385 58.200 -0.182 0.000 0.942 169 S CB -0.552 62.555 63.200 -0.155 0.000 0.768 169 S HN 0.591 nan 8.310 nan 0.000 0.520 170 N N 1.500 120.024 118.700 -0.293 0.000 2.300 170 N HA 0.104 4.844 4.740 0.000 0.000 0.179 170 N C 1.408 176.753 175.510 -0.274 0.000 1.016 170 N CA 1.348 54.220 53.050 -0.296 0.000 0.876 170 N CB -0.546 37.736 38.487 -0.342 0.000 0.979 170 N HN 0.639 nan 8.380 nan 0.000 0.432 171 G N -1.203 107.449 108.800 -0.247 0.000 2.162 171 G HA2 -0.234 3.726 3.960 0.000 0.000 0.260 171 G HA3 -0.234 3.726 3.960 0.000 0.000 0.260 171 G C -0.001 174.953 174.900 0.090 0.000 0.976 171 G CA 0.885 45.942 45.100 -0.071 0.000 0.655 171 G HN 0.615 nan 8.290 nan 0.000 0.533 172 F N -2.378 117.522 119.950 -0.084 0.000 2.741 172 F HA 0.721 5.248 4.527 0.000 0.000 0.311 172 F C -1.185 174.656 175.800 0.069 0.000 1.149 172 F CA -1.819 56.187 58.000 0.010 0.000 0.930 172 F CB 0.772 39.811 39.000 0.065 0.000 1.312 172 F HN 0.019 nan 8.300 nan 0.000 0.450 173 N N 1.271 120.241 118.700 0.449 0.000 2.476 173 N HA 0.323 5.063 4.740 0.000 0.000 0.257 173 N C -1.466 174.377 175.510 0.555 0.000 0.970 173 N CA -0.548 52.795 53.050 0.489 0.000 0.938 173 N CB 0.446 39.181 38.487 0.414 0.000 1.144 173 N HN 0.642 nan 8.380 nan 0.000 0.500 174 Y N 3.010 123.524 120.300 0.357 0.000 2.805 174 Y HA 0.044 4.594 4.550 0.000 0.000 0.337 174 Y C -1.176 174.882 175.900 0.264 0.000 1.252 174 Y CA -0.696 57.530 58.100 0.211 0.000 1.515 174 Y CB 0.509 38.910 38.460 -0.099 0.000 1.305 174 Y HN 0.485 nan 8.280 nan 0.000 0.600 175 P HA 0.142 nan 4.420 nan 0.000 0.220 175 P C -0.901 176.389 177.300 -0.018 0.000 1.806 175 P CA -0.020 63.151 63.100 0.119 0.000 0.976 175 P CB -0.335 31.267 31.700 -0.163 0.000 1.952 176 A N 1.693 124.390 122.820 -0.204 0.000 2.922 176 A HA 0.159 4.479 4.320 0.000 0.000 0.298 176 A C 1.126 178.320 177.584 -0.651 0.000 1.588 176 A CA -0.312 51.502 52.037 -0.372 0.000 1.288 176 A CB -0.396 18.397 19.000 -0.344 0.000 1.130 176 A HN 0.147 nan 8.150 nan 0.000 0.557 177 D N 1.037 121.248 120.400 -0.314 0.000 2.310 177 D HA -0.111 4.529 4.640 0.000 0.000 0.212 177 D C 0.880 177.052 176.300 -0.214 0.000 0.965 177 D CA 0.731 54.592 54.000 -0.233 0.000 0.879 177 D CB 0.183 40.928 40.800 -0.092 0.000 0.921 177 D HN 0.527 nan 8.370 nan 0.000 0.510 178 N N 1.083 119.549 118.700 -0.390 0.000 2.515 178 N HA -0.088 4.652 4.740 0.000 0.000 0.185 178 N C 0.209 175.482 175.510 -0.395 0.000 1.109 178 N CA 0.369 53.082 53.050 -0.561 0.000 0.903 178 N CB 0.232 37.845 38.487 -1.456 0.000 0.969 178 N HN 0.130 nan 8.380 nan 0.000 0.450 179 D N 0.786 121.051 120.400 -0.225 0.000 2.393 179 D HA 0.016 4.656 4.640 0.000 0.000 0.232 179 D C -0.439 175.994 176.300 0.221 0.000 1.192 179 D CA -0.204 53.776 54.000 -0.032 0.000 0.882 179 D CB -0.201 40.561 40.800 -0.064 0.000 1.038 179 D HN 0.253 nan 8.370 nan 0.000 0.499 180 H N 4.294 123.447 119.070 0.139 0.000 2.998 180 H HA 0.144 4.700 4.556 0.000 0.000 0.241 180 H C 0.028 175.483 175.328 0.212 0.000 1.852 180 H CA -0.179 55.942 56.048 0.122 0.000 1.419 180 H CB 0.064 29.846 29.762 0.034 0.000 1.793 180 H HN 0.338 nan 8.280 nan 0.000 0.553 181 H N 0.759 119.970 119.070 0.236 0.000 3.068 181 H HA -0.024 4.532 4.556 0.000 0.000 0.342 181 H C 0.559 175.911 175.328 0.040 0.000 1.284 181 H CA -0.481 55.641 56.048 0.123 0.000 1.181 181 H CB 1.571 31.409 29.762 0.127 0.000 1.898 181 H HN 0.509 nan 8.280 nan 0.000 0.540 182 E N 2.276 122.393 120.200 -0.138 0.000 2.114 182 E HA -0.141 4.210 4.350 0.000 0.000 0.199 182 E C -0.435 176.047 176.600 -0.197 0.000 1.008 182 E CA 1.195 57.519 56.400 -0.127 0.000 0.810 182 E CB 0.239 29.846 29.700 -0.154 0.000 0.739 182 E HN 0.375 nan 8.360 nan 0.000 0.456 183 K N 0.203 120.620 120.400 0.028 0.000 2.213 183 K HA 0.249 4.569 4.320 0.000 0.000 0.270 183 K C -1.156 175.303 176.600 -0.236 0.000 1.002 183 K CA -0.302 55.761 56.287 -0.373 0.000 0.868 183 K CB 1.173 33.329 32.500 -0.573 0.000 1.093 183 K HN 0.175 nan 8.250 nan 0.000 0.454 184 H N 3.546 122.565 119.070 -0.084 0.000 2.788 184 H HA 0.110 4.666 4.556 0.000 0.000 0.254 184 H C 0.768 176.045 175.328 -0.085 0.000 1.541 184 H CA -0.359 55.663 56.048 -0.044 0.000 1.295 184 H CB 0.192 29.962 29.762 0.013 0.000 1.592 184 H HN 0.382 nan 8.280 nan 0.000 0.545 185 L N 0.955 122.177 121.223 -0.001 0.000 2.341 185 L HA -0.105 4.235 4.340 0.000 0.000 0.214 185 L C 2.379 179.191 176.870 -0.096 0.000 1.115 185 L CA 0.526 55.431 54.840 0.109 0.000 0.820 185 L CB -0.206 41.917 42.059 0.107 0.000 0.944 185 L HN 0.579 nan 8.230 nan 0.000 0.452 186 S N 0.634 115.990 115.700 -0.574 0.000 2.374 186 S HA -0.215 4.255 4.470 0.000 0.000 0.227 186 S C 1.988 176.366 174.600 -0.369 0.000 1.037 186 S CA 1.539 59.121 58.200 -1.030 0.000 1.024 186 S CB -1.302 61.193 63.200 -1.175 0.000 0.861 186 S HN 0.364 nan 8.310 nan 0.000 0.456 187 V N -1.535 118.117 119.914 -0.436 0.000 2.594 187 V HA -0.025 4.095 4.120 0.000 0.000 0.253 187 V C 2.056 177.910 176.094 -0.401 0.000 1.069 187 V CA 1.421 63.425 62.300 -0.494 0.000 1.082 187 V CB -1.531 29.632 31.823 -1.101 0.000 0.680 187 V HN 0.389 nan 8.190 nan 0.000 0.469 188 F N 1.245 121.153 119.950 -0.070 0.000 2.456 188 F HA 0.249 4.776 4.527 0.000 0.000 0.298 188 F C 1.510 177.478 175.800 0.279 0.000 1.104 188 F CA 0.415 58.429 58.000 0.023 0.000 1.435 188 F CB -0.498 38.521 39.000 0.032 0.000 1.078 188 F HN 0.089 nan 8.300 nan 0.000 0.546 189 S N 0.815 116.765 115.700 0.417 0.000 2.489 189 S HA 0.428 4.898 4.470 0.000 0.000 0.291 189 S C 0.163 174.943 174.600 0.301 0.000 1.151 189 S CA -0.840 57.601 58.200 0.402 0.000 1.082 189 S CB 1.224 64.663 63.200 0.398 0.000 1.019 189 S HN -0.053 nan 8.310 nan 0.000 0.492 190 R N 3.058 123.668 120.500 0.184 0.000 2.891 190 R HA 0.328 4.668 4.340 0.000 0.000 0.248 190 R C -0.136 176.011 176.300 -0.255 0.000 1.439 190 R CA 0.001 56.162 56.100 0.102 0.000 1.288 190 R CB -0.779 29.579 30.300 0.097 0.000 1.212 190 R HN 0.561 nan 8.270 nan 0.000 0.605 191 K N -0.188 120.124 120.400 -0.147 0.000 2.527 191 K HA 0.457 4.777 4.320 0.000 0.000 0.260 191 K C -1.023 175.603 176.600 0.043 0.000 0.937 191 K CA -0.715 55.394 56.287 -0.296 0.000 0.826 191 K CB 2.110 34.590 32.500 -0.034 0.000 1.359 191 K HN 0.374 nan 8.250 nan 0.000 0.434 192 A N 4.844 127.665 122.820 0.003 0.000 2.532 192 A HA 0.095 4.415 4.320 0.000 0.000 0.269 192 A C -1.966 175.794 177.584 0.293 0.000 1.079 192 A CA -0.620 51.583 52.037 0.276 0.000 0.800 192 A CB -0.415 18.736 19.000 0.253 0.000 1.000 192 A HN 0.594 nan 8.150 nan 0.000 0.522 193 P HA -0.247 nan 4.420 nan 0.000 0.215 193 P C 1.298 178.814 177.300 0.360 0.000 1.157 193 P CA 2.065 65.331 63.100 0.276 0.000 0.874 193 P CB -0.180 31.602 31.700 0.137 0.000 0.790 194 Y N -0.477 119.866 120.300 0.072 0.000 2.569 194 Y HA -0.132 4.418 4.550 0.000 0.000 0.293 194 Y C 2.007 177.953 175.900 0.077 0.000 1.144 194 Y CA 0.938 59.099 58.100 0.101 0.000 1.321 194 Y CB -1.423 37.093 38.460 0.092 0.000 0.982 194 Y HN -0.022 nan 8.280 nan 0.000 0.558 195 S N -0.545 114.826 115.700 -0.549 0.000 2.419 195 S HA -0.236 4.234 4.470 0.000 0.000 0.233 195 S C 1.211 175.521 174.600 -0.483 0.000 1.016 195 S CA 0.941 58.702 58.200 -0.732 0.000 0.974 195 S CB -1.185 61.639 63.200 -0.626 0.000 0.786 195 S HN 0.667 nan 8.310 nan 0.000 0.492 196 Y N 2.707 122.870 120.300 -0.229 0.000 2.529 196 Y HA 0.415 4.965 4.550 0.000 0.000 0.290 196 Y C 1.537 177.287 175.900 -0.250 0.000 1.177 196 Y CA 0.229 58.235 58.100 -0.157 0.000 1.305 196 Y CB -0.285 38.139 38.460 -0.060 0.000 1.047 196 Y HN 0.602 nan 8.280 nan 0.000 0.522 197 G N -0.951 107.723 108.800 -0.211 0.000 2.515 197 G HA2 -0.073 3.887 3.960 0.000 0.000 0.686 197 G HA3 -0.073 3.887 3.960 0.000 0.000 0.686 197 G C -1.359 173.359 174.900 -0.304 0.000 1.274 197 G CA -0.806 43.997 45.100 -0.496 0.000 0.874 197 G HN 0.173 nan 8.290 nan 0.000 0.631 198 W N -0.033 120.888 121.300 -0.631 0.000 2.923 198 W HA 0.364 5.024 4.660 0.000 0.000 0.373 198 W C 0.035 176.344 176.519 -0.351 0.000 1.205 198 W CA 0.325 57.299 57.345 -0.618 0.000 1.180 198 W CB 1.403 30.139 29.460 -1.207 0.000 1.477 198 W HN 0.811 nan 8.180 nan 0.000 0.581 199 D N -0.592 119.461 120.400 -0.578 0.000 2.349 199 D HA -0.080 4.560 4.640 0.000 0.000 0.224 199 D C 0.956 177.395 176.300 0.231 0.000 1.029 199 D CA 0.635 54.575 54.000 -0.101 0.000 0.879 199 D CB -0.542 40.201 40.800 -0.094 0.000 0.906 199 D HN 0.431 nan 8.370 nan 0.000 0.528 200 W N -1.141 120.443 121.300 0.474 0.000 2.499 200 W HA 0.600 5.260 4.660 0.000 0.000 0.362 200 W C -0.157 176.632 176.519 0.450 0.000 0.945 200 W CA -0.854 56.698 57.345 0.345 0.000 1.721 200 W CB 0.226 29.867 29.460 0.302 0.000 1.156 200 W HN -0.009 nan 8.180 nan 0.000 0.547 201 G N 1.823 110.911 108.800 0.480 0.000 2.571 201 G HA2 0.530 4.490 3.960 0.000 0.000 0.304 201 G HA3 0.530 4.490 3.960 0.000 0.000 0.304 201 G C -1.348 173.420 174.900 -0.219 0.000 1.314 201 G CA -0.954 44.340 45.100 0.324 0.000 0.975 201 G HN 0.111 nan 8.290 nan 0.000 0.485 202 I N 0.614 120.542 120.570 -1.071 0.000 2.696 202 I HA 0.311 4.481 4.170 0.000 0.000 0.284 202 I C 0.815 176.603 176.117 -0.548 0.000 1.129 202 I CA -0.776 59.876 61.300 -1.080 0.000 1.410 202 I CB 0.659 37.629 38.000 -1.716 0.000 1.399 202 I HN 0.455 nan 8.210 nan 0.000 0.579 203 R N 8.228 128.516 120.500 -0.353 0.000 2.210 203 R HA 0.348 4.688 4.340 0.000 0.000 0.338 203 R C -0.946 175.152 176.300 -0.337 0.000 1.062 203 R CA -0.228 55.703 56.100 -0.283 0.000 0.902 203 R CB 0.502 30.734 30.300 -0.114 0.000 1.050 203 R HN 0.755 nan 8.270 nan 0.000 0.461 204 M N 6.063 125.395 119.600 -0.447 0.000 2.067 204 M HA 0.174 4.654 4.480 0.000 0.000 0.214 204 M C -1.237 174.703 176.300 -0.600 0.000 0.891 204 M CA -0.573 54.386 55.300 -0.568 0.000 0.697 204 M CB 1.518 33.743 32.600 -0.626 0.000 1.616 204 M HN 0.327 nan 8.290 nan 0.000 0.354 205 V N 1.983 121.612 119.914 -0.474 0.000 2.266 205 V HA 0.056 4.176 4.120 0.000 0.000 0.240 205 V C 0.814 176.739 176.094 -0.282 0.000 1.225 205 V CA 0.453 62.459 62.300 -0.490 0.000 1.237 205 V CB -0.300 31.212 31.823 -0.519 0.000 1.343 205 V HN 0.692 nan 8.190 nan 0.000 0.496 206 T N 3.059 117.409 114.554 -0.339 0.000 2.852 206 T HA 0.621 4.971 4.350 0.000 0.000 0.281 206 T C 0.156 174.719 174.700 -0.229 0.000 0.993 206 T CA -0.166 61.819 62.100 -0.191 0.000 0.933 206 T CB 1.316 70.035 68.868 -0.248 0.000 1.187 206 T HN 0.631 nan 8.240 nan 0.000 0.559 207 S N -1.440 114.086 115.700 -0.291 0.000 2.596 207 S HA 0.819 5.289 4.470 0.000 0.000 0.270 207 S C -0.342 173.856 174.600 -0.671 0.000 1.155 207 S CA -0.110 57.847 58.200 -0.406 0.000 0.827 207 S CB 1.622 64.648 63.200 -0.290 0.000 1.130 207 S HN 1.361 nan 8.310 nan 0.000 0.467 208 G N -0.289 107.821 108.800 -1.150 0.000 2.359 208 G HA2 0.183 4.143 3.960 0.000 0.000 0.303 208 G HA3 0.183 4.143 3.960 0.000 0.000 0.303 208 G C -1.779 172.758 174.900 -0.604 0.000 1.293 208 G CA -0.597 43.717 45.100 -1.310 0.000 0.964 208 G HN 0.966 nan 8.290 nan 0.000 0.531 209 V N 2.239 121.872 119.914 -0.468 0.000 2.313 209 V HA 0.273 4.393 4.120 0.000 0.000 0.252 209 V C 1.292 177.349 176.094 -0.061 0.000 1.112 209 V CA 0.290 62.526 62.300 -0.105 0.000 0.984 209 V CB 0.017 31.659 31.823 -0.303 0.000 1.157 209 V HN 0.838 nan 8.190 nan 0.000 0.493 210 W N 5.195 126.427 121.300 -0.113 0.000 3.197 210 W HA 0.365 5.025 4.660 0.001 0.000 0.274 210 W C 0.294 176.809 176.519 -0.006 0.000 1.297 210 W CA -0.589 56.707 57.345 -0.083 0.000 1.662 210 W CB 0.170 29.592 29.460 -0.064 0.000 1.106 210 W HN 0.351 nan 8.180 nan 0.000 0.663 211 R N 0.046 120.271 120.500 -0.459 0.000 2.855 211 R HA 0.429 4.770 4.340 0.000 0.000 0.266 211 R C -2.605 173.580 176.300 -0.192 0.000 1.034 211 R CA -1.972 53.870 56.100 -0.430 0.000 0.944 211 R CB 1.552 31.433 30.300 -0.699 0.000 1.219 211 R HN -0.400 nan 8.270 nan 0.000 0.474 212 P HA 0.111 nan 4.420 nan 0.000 0.272 212 P C -1.030 176.234 177.300 -0.059 0.000 1.230 212 P CA -0.310 62.748 63.100 -0.072 0.000 0.788 212 P CB 0.611 32.278 31.700 -0.055 0.000 0.949 213 V N 1.073 120.958 119.914 -0.050 0.000 2.487 213 V HA 0.619 4.739 4.120 0.000 0.000 0.298 213 V C 0.165 176.177 176.094 -0.138 0.000 1.028 213 V CA -0.404 61.802 62.300 -0.156 0.000 0.860 213 V CB 1.532 33.330 31.823 -0.041 0.000 0.991 213 V HN 0.749 nan 8.190 nan 0.000 0.427 214 T N 2.525 116.950 114.554 -0.215 0.000 2.903 214 T HA 0.787 5.137 4.350 0.000 0.000 0.299 214 T C -1.050 173.502 174.700 -0.247 0.000 1.093 214 T CA -0.725 61.273 62.100 -0.171 0.000 1.002 214 T CB 1.804 70.608 68.868 -0.107 0.000 1.127 214 T HN 0.371 nan 8.240 nan 0.000 0.488 215 L N 1.748 122.822 121.223 -0.248 0.000 2.313 215 L HA 0.644 4.984 4.340 0.000 0.000 0.283 215 L C 0.093 176.765 176.870 -0.331 0.000 1.013 215 L CA -0.928 53.694 54.840 -0.363 0.000 0.816 215 L CB 1.870 43.641 42.059 -0.481 0.000 1.236 215 L HN 0.699 nan 8.230 nan 0.000 0.419 216 R N 3.358 123.644 120.500 -0.357 0.000 2.360 216 R HA 0.492 4.832 4.340 0.000 0.000 0.318 216 R C -1.629 174.579 176.300 -0.154 0.000 0.950 216 R CA -0.423 55.586 56.100 -0.151 0.000 0.837 216 R CB 0.850 31.117 30.300 -0.055 0.000 1.165 216 R HN 0.305 nan 8.270 nan 0.000 0.458 217 F N 5.944 125.974 119.950 0.133 0.000 2.415 217 F HA 0.401 4.928 4.527 0.000 0.000 0.348 217 F C -0.285 175.617 175.800 0.170 0.000 1.119 217 F CA -0.499 57.566 58.000 0.109 0.000 1.069 217 F CB 1.049 40.073 39.000 0.040 0.000 1.124 217 F HN 0.461 nan 8.300 nan 0.000 0.472 218 Y N -0.504 119.887 120.300 0.151 0.000 2.625 218 Y HA 0.661 5.210 4.550 -0.000 0.000 0.338 218 Y C -1.731 174.207 175.900 0.064 0.000 1.123 218 Y CA -1.571 56.580 58.100 0.084 0.000 1.046 218 Y CB 1.261 39.745 38.460 0.040 0.000 1.299 218 Y HN 0.344 nan 8.280 nan 0.000 0.464 219 D N 2.669 123.173 120.400 0.174 0.000 2.252 219 D HA 0.438 5.078 4.640 0.000 0.000 0.245 219 D C 0.695 177.103 176.300 0.180 0.000 1.009 219 D CA -0.041 53.998 54.000 0.064 0.000 0.870 219 D CB 2.012 42.843 40.800 0.051 0.000 1.251 219 D HN 0.764 nan 8.370 nan 0.000 0.460 220 I N -0.558 120.070 120.570 0.095 0.000 4.624 220 I HA -0.366 3.804 4.170 0.000 0.000 0.049 220 I C 0.465 176.707 176.117 0.207 0.000 0.621 220 I CA 1.633 63.003 61.300 0.116 0.000 0.836 220 I CB -1.856 36.194 38.000 0.084 0.000 0.765 220 I HN 0.652 nan 8.210 nan 0.000 0.159 221 A N 0.004 123.001 122.820 0.296 0.000 2.586 221 A HA 0.732 5.052 4.320 0.000 0.000 0.291 221 A C -0.210 177.345 177.584 -0.049 0.000 1.062 221 A CA 0.380 52.520 52.037 0.173 0.000 0.666 221 A CB 1.438 20.472 19.000 0.057 0.000 1.281 221 A HN 0.673 nan 8.150 nan 0.000 0.421 222 T N -1.064 113.344 114.554 -0.244 0.000 2.908 222 T HA 0.713 5.063 4.350 0.000 0.000 0.290 222 T C -0.400 174.201 174.700 -0.166 0.000 1.034 222 T CA -0.482 61.416 62.100 -0.336 0.000 1.010 222 T CB 0.997 69.538 68.868 -0.544 0.000 1.068 222 T HN 0.568 nan 8.240 nan 0.000 0.481 223 I N 3.063 123.554 120.570 -0.131 0.000 2.347 223 I HA 0.124 4.294 4.170 0.000 0.000 0.294 223 I C 1.172 177.254 176.117 -0.058 0.000 1.090 223 I CA -0.389 60.864 61.300 -0.078 0.000 1.314 223 I CB 0.853 38.809 38.000 -0.073 0.000 1.423 223 I HN 0.788 nan 8.210 nan 0.000 0.503 224 S N 3.403 119.078 115.700 -0.043 0.000 2.428 224 S HA -0.056 4.414 4.470 0.000 0.000 0.230 224 S C 0.289 174.898 174.600 0.016 0.000 1.014 224 S CA 0.557 58.743 58.200 -0.023 0.000 0.957 224 S CB -0.174 63.014 63.200 -0.020 0.000 0.784 224 S HN 0.762 nan 8.310 nan 0.000 0.499 225 D N -1.236 119.197 120.400 0.056 0.000 2.803 225 D HA 0.439 5.080 4.640 0.000 0.000 0.218 225 D C -2.003 174.441 176.300 0.240 0.000 1.245 225 D CA -0.561 53.510 54.000 0.117 0.000 0.821 225 D CB 1.267 42.121 40.800 0.090 0.000 1.626 225 D HN -0.013 nan 8.370 nan 0.000 0.487 226 Y N 3.565 123.955 120.300 0.149 0.000 2.331 226 Y HA 0.518 5.068 4.550 0.001 0.000 0.326 226 Y C -2.346 173.735 175.900 0.301 0.000 1.020 226 Y CA -1.182 57.039 58.100 0.202 0.000 1.136 226 Y CB 0.845 39.388 38.460 0.139 0.000 1.157 226 Y HN 0.391 nan 8.280 nan 0.000 0.444 227 Y N 6.607 126.915 120.300 0.013 0.000 2.326 227 Y HA 0.625 5.175 4.550 0.000 0.000 0.331 227 Y C -1.574 174.153 175.900 -0.287 0.000 0.962 227 Y CA -1.864 56.115 58.100 -0.201 0.000 1.167 227 Y CB 1.197 39.621 38.460 -0.060 0.000 1.148 227 Y HN 0.360 nan 8.280 nan 0.000 0.463 228 V N 8.081 127.696 119.914 -0.497 0.000 2.356 228 V HA 0.345 4.465 4.120 0.000 0.000 0.258 228 V C 0.312 175.986 176.094 -0.701 0.000 1.065 228 V CA -0.472 61.466 62.300 -0.602 0.000 0.935 228 V CB 0.273 31.633 31.823 -0.772 0.000 1.061 228 V HN 0.671 nan 8.190 nan 0.000 0.484 229 R N 4.411 124.451 120.500 -0.766 0.000 2.202 229 R HA 0.281 4.622 4.340 0.000 0.000 0.334 229 R C 0.038 176.119 176.300 -0.365 0.000 1.036 229 R CA -0.451 55.208 56.100 -0.734 0.000 0.878 229 R CB 0.800 30.622 30.300 -0.796 0.000 1.067 229 R HN 0.795 nan 8.270 nan 0.000 0.457 230 Q N 5.016 124.655 119.800 -0.269 0.000 2.296 230 Q HA 0.078 4.418 4.340 0.000 0.000 0.263 230 Q C 0.251 176.180 176.000 -0.118 0.000 1.026 230 Q CA -0.132 55.568 55.803 -0.172 0.000 0.912 230 Q CB 1.003 29.657 28.738 -0.140 0.000 1.198 230 Q HN 0.777 nan 8.270 nan 0.000 0.407 231 L N 2.311 123.477 121.223 -0.095 0.000 2.145 231 L HA 0.112 4.452 4.340 0.000 0.000 0.201 231 L C 0.735 177.578 176.870 -0.044 0.000 1.075 231 L CA 0.484 55.284 54.840 -0.067 0.000 0.773 231 L CB 0.016 42.040 42.059 -0.058 0.000 0.936 231 L HN 0.687 nan 8.230 nan 0.000 0.451 232 S N -0.887 114.790 115.700 -0.037 0.000 2.579 232 S HA 0.657 5.127 4.470 0.000 0.000 0.272 232 S C -1.235 173.354 174.600 -0.017 0.000 1.141 232 S CA -0.776 57.410 58.200 -0.022 0.000 0.843 232 S CB 2.624 65.815 63.200 -0.015 0.000 1.122 232 S HN 0.007 nan 8.310 nan 0.000 0.468 233 L N 1.740 122.960 121.223 -0.004 0.000 2.476 233 L HA 0.811 5.151 4.340 0.000 0.000 0.269 233 L C -0.463 176.418 176.870 0.019 0.000 0.965 233 L CA 0.323 55.167 54.840 0.008 0.000 0.845 233 L CB 1.815 43.883 42.059 0.015 0.000 1.259 233 L HN 1.220 nan 8.230 nan 0.000 0.403 234 T N -0.722 113.845 114.554 0.021 0.000 2.864 234 T HA 0.444 4.794 4.350 0.000 0.000 0.289 234 T C 0.380 175.100 174.700 0.033 0.000 1.082 234 T CA -0.513 61.602 62.100 0.025 0.000 1.009 234 T CB 1.291 70.170 68.868 0.018 0.000 1.234 234 T HN 0.469 nan 8.240 nan 0.000 0.526 235 D N 0.375 120.796 120.400 0.034 0.000 2.190 235 D HA -0.064 4.576 4.640 0.000 0.000 0.200 235 D C 1.606 177.928 176.300 0.037 0.000 0.992 235 D CA 1.399 55.422 54.000 0.038 0.000 0.854 235 D CB 0.011 40.829 40.800 0.030 0.000 0.936 235 D HN 0.678 nan 8.370 nan 0.000 0.462 236 E N -0.567 119.649 120.200 0.028 0.000 2.190 236 E HA 0.099 4.449 4.350 0.000 0.000 0.191 236 E C 0.215 176.829 176.600 0.024 0.000 0.978 236 E CA 0.362 56.776 56.400 0.025 0.000 0.839 236 E CB 0.296 30.007 29.700 0.018 0.000 0.787 236 E HN 0.039 nan 8.360 nan 0.000 0.473 237 N N -0.980 117.733 118.700 0.021 0.000 2.431 237 N HA 0.479 5.219 4.740 0.000 0.000 0.275 237 N C -1.997 173.517 175.510 0.007 0.000 1.091 237 N CA -0.295 52.763 53.050 0.013 0.000 0.922 237 N CB 1.607 40.099 38.487 0.008 0.000 1.666 237 N HN -0.009 nan 8.380 nan 0.000 0.484 238 A N 2.791 125.609 122.820 -0.004 0.000 2.271 238 A HA 0.697 5.017 4.320 0.000 0.000 0.317 238 A C -0.466 177.108 177.584 -0.016 0.000 1.245 238 A CA -0.546 51.481 52.037 -0.017 0.000 0.857 238 A CB 0.433 19.407 19.000 -0.042 0.000 1.175 238 A HN 0.630 nan 8.150 nan 0.000 0.512 239 R N 2.582 123.071 120.500 -0.019 0.000 2.295 239 R HA 0.553 4.893 4.340 0.000 0.000 0.324 239 R C -1.035 175.246 176.300 -0.031 0.000 0.968 239 R CA -0.590 55.499 56.100 -0.018 0.000 0.837 239 R CB 1.157 31.447 30.300 -0.018 0.000 1.133 239 R HN 0.485 nan 8.270 nan 0.000 0.450 240 L N 1.133 122.350 121.223 -0.011 0.000 2.330 240 L HA 0.480 4.820 4.340 0.000 0.000 0.271 240 L C 0.180 177.035 176.870 -0.024 0.000 1.013 240 L CA -0.453 54.370 54.840 -0.029 0.000 0.816 240 L CB 1.791 43.876 42.059 0.043 0.000 1.287 240 L HN 0.533 nan 8.230 nan 0.000 0.435 241 S N 2.165 117.816 115.700 -0.082 0.000 2.596 241 S HA 0.458 4.929 4.470 0.000 0.000 0.318 241 S C -0.561 173.999 174.600 -0.066 0.000 1.097 241 S CA -0.709 57.453 58.200 -0.063 0.000 1.080 241 S CB 0.365 63.509 63.200 -0.094 0.000 0.991 241 S HN 0.578 nan 8.310 nan 0.000 0.471 242 N N 4.504 123.241 118.700 0.061 0.000 2.420 242 N HA 0.169 4.909 4.740 0.000 0.000 0.249 242 N C -0.865 174.754 175.510 0.181 0.000 1.033 242 N CA -0.109 53.064 53.050 0.204 0.000 0.944 242 N CB 1.128 39.824 38.487 0.348 0.000 1.113 242 N HN 0.684 nan 8.380 nan 0.000 0.502 243 E N 2.511 122.822 120.200 0.186 0.000 2.092 243 E HA 0.346 4.696 4.350 0.000 0.000 0.271 243 E C -0.593 176.187 176.600 0.301 0.000 0.919 243 E CA -0.417 56.101 56.400 0.196 0.000 0.760 243 E CB 1.355 31.155 29.700 0.167 0.000 1.106 243 E HN 0.309 nan 8.360 nan 0.000 0.408 244 L N 4.603 125.955 121.223 0.216 0.000 2.322 244 L HA 0.512 4.853 4.340 0.000 0.000 0.281 244 L C -0.446 176.500 176.870 0.127 0.000 1.014 244 L CA -0.613 54.327 54.840 0.167 0.000 0.815 244 L CB 1.450 43.535 42.059 0.042 0.000 1.247 244 L HN 0.440 nan 8.230 nan 0.000 0.421 245 I N 3.850 124.480 120.570 0.100 0.000 2.328 245 I HA 0.333 4.503 4.170 0.000 0.000 0.287 245 I C -0.661 175.430 176.117 -0.043 0.000 1.012 245 I CA -0.634 60.665 61.300 -0.003 0.000 1.195 245 I CB 1.624 39.640 38.000 0.027 0.000 1.350 245 I HN 0.196 nan 8.210 nan 0.000 0.464 246 V N 5.578 125.441 119.914 -0.084 0.000 2.384 246 V HA 0.269 4.389 4.120 0.000 0.000 0.287 246 V C -0.111 175.940 176.094 -0.072 0.000 1.020 246 V CA -0.693 61.566 62.300 -0.068 0.000 0.850 246 V CB 1.736 33.528 31.823 -0.052 0.000 0.987 246 V HN 0.661 nan 8.190 nan 0.000 0.436 247 N N 4.003 122.669 118.700 -0.057 0.000 2.439 247 N HA 0.232 4.972 4.740 0.000 0.000 0.249 247 N C -0.433 175.088 175.510 0.018 0.000 1.003 247 N CA -0.213 52.820 53.050 -0.028 0.000 0.942 247 N CB 1.064 39.537 38.487 -0.022 0.000 1.115 247 N HN 0.780 nan 8.380 nan 0.000 0.505 248 Q N 3.818 123.637 119.800 0.031 0.000 2.274 248 Q HA 0.268 4.608 4.340 0.000 0.000 0.256 248 Q C 0.191 176.242 176.000 0.084 0.000 0.927 248 Q CA -0.378 55.464 55.803 0.066 0.000 0.939 248 Q CB 1.030 29.790 28.738 0.038 0.000 1.201 248 Q HN 0.740 nan 8.270 nan 0.000 0.426 249 I N 4.468 125.116 120.570 0.131 0.000 3.427 249 I HA 0.016 4.186 4.170 0.000 0.000 0.288 249 I C 0.057 176.199 176.117 0.042 0.000 1.249 249 I CA 0.247 61.608 61.300 0.101 0.000 1.421 249 I CB 0.945 39.024 38.000 0.131 0.000 1.086 249 I HN 0.536 nan 8.210 nan 0.000 0.448 250 V N -1.122 118.814 119.914 0.037 0.000 2.743 250 V HA 0.473 4.594 4.120 0.000 0.000 0.301 250 V C -1.674 174.431 176.094 0.018 0.000 1.057 250 V CA -1.233 61.077 62.300 0.017 0.000 1.006 250 V CB 0.519 32.349 31.823 0.012 0.000 1.024 250 V HN 0.033 nan 8.190 nan 0.000 0.473 251 P HA 0.025 nan 4.420 nan 0.000 0.235 251 P C 0.256 177.563 177.300 0.011 0.000 1.177 251 P CA 0.602 63.709 63.100 0.012 0.000 0.785 251 P CB 0.246 31.951 31.700 0.009 0.000 0.885 252 Q N 0.694 120.500 119.800 0.010 0.000 2.221 252 Q HA 0.250 4.590 4.340 0.000 0.000 0.242 252 Q C -0.254 175.752 176.000 0.011 0.000 0.940 252 Q CA -0.517 55.291 55.803 0.009 0.000 0.896 252 Q CB 1.170 29.913 28.738 0.008 0.000 1.226 252 Q HN 0.007 nan 8.270 nan 0.000 0.463 253 K N 1.472 121.878 120.400 0.009 0.000 2.401 253 K HA 0.252 4.572 4.320 0.000 0.000 0.278 253 K C -0.259 176.346 176.600 0.009 0.000 1.018 253 K CA -0.167 56.126 56.287 0.009 0.000 0.981 253 K CB 0.424 32.929 32.500 0.008 0.000 0.933 253 K HN 0.522 nan 8.250 nan 0.000 0.477 254 I N 5.584 126.160 120.570 0.010 0.000 2.410 254 I HA 0.210 4.380 4.170 0.000 0.000 0.286 254 I C -2.227 173.895 176.117 0.008 0.000 1.009 254 I CA -3.042 58.264 61.300 0.010 0.000 1.111 254 I CB 1.358 39.367 38.000 0.014 0.000 1.262 254 I HN 0.309 nan 8.210 nan 0.000 0.443 255 P HA 0.378 nan 4.420 nan 0.000 0.271 255 P C -0.774 176.529 177.300 0.003 0.000 1.216 255 P CA -0.041 63.061 63.100 0.004 0.000 0.771 255 P CB 1.631 33.333 31.700 0.004 0.000 0.864 256 A N 2.252 125.072 122.820 0.001 0.000 2.609 256 A HA 0.597 4.917 4.320 0.000 0.000 0.291 256 A C -1.344 176.236 177.584 -0.005 0.000 1.096 256 A CA -0.615 51.420 52.037 -0.002 0.000 0.684 256 A CB 1.466 20.465 19.000 -0.002 0.000 1.282 256 A HN 0.509 nan 8.150 nan 0.000 0.412 257 E N 0.617 120.811 120.200 -0.009 0.000 2.218 257 E HA 0.564 4.914 4.350 0.000 0.000 0.263 257 E C -1.552 175.035 176.600 -0.022 0.000 0.879 257 E CA -0.538 55.855 56.400 -0.013 0.000 0.762 257 E CB 1.742 31.435 29.700 -0.012 0.000 1.166 257 E HN 0.467 nan 8.360 nan 0.000 0.415 258 V N 5.076 124.976 119.914 -0.025 0.000 2.461 258 V HA 0.401 4.521 4.120 0.000 0.000 0.275 258 V C 0.096 176.165 176.094 -0.041 0.000 1.047 258 V CA -0.285 61.990 62.300 -0.040 0.000 0.955 258 V CB 1.013 32.811 31.823 -0.041 0.000 0.988 258 V HN 0.645 nan 8.190 nan 0.000 0.471 259 R N 3.364 123.830 120.500 -0.056 0.000 2.534 259 R HA 0.718 5.058 4.340 0.000 0.000 0.301 259 R C -1.474 174.785 176.300 -0.067 0.000 0.961 259 R CA -0.657 55.413 56.100 -0.049 0.000 0.871 259 R CB 2.353 32.628 30.300 -0.042 0.000 1.170 259 R HN 0.507 nan 8.270 nan 0.000 0.446 260 V N 2.996 122.881 119.914 -0.048 0.000 2.409 260 V HA 0.258 4.378 4.120 0.000 0.000 0.291 260 V C -0.529 175.536 176.094 -0.049 0.000 1.020 260 V CA -0.853 61.424 62.300 -0.037 0.000 0.848 260 V CB 1.578 33.415 31.823 0.024 0.000 0.990 260 V HN 0.706 nan 8.190 nan 0.000 0.430 261 N N 3.824 122.491 118.700 -0.056 0.000 2.408 261 N HA 0.580 5.320 4.740 0.000 0.000 0.280 261 N C -1.183 174.227 175.510 -0.168 0.000 1.002 261 N CA -0.383 52.616 53.050 -0.085 0.000 0.907 261 N CB 1.814 40.271 38.487 -0.050 0.000 1.161 261 N HN 0.384 nan 8.380 nan 0.000 0.488 262 V N 2.986 122.738 119.914 -0.270 0.000 2.357 262 V HA 0.541 4.661 4.120 0.000 0.000 0.284 262 V C -0.196 175.800 176.094 -0.162 0.000 1.018 262 V CA -0.576 61.443 62.300 -0.468 0.000 0.841 262 V CB 0.630 31.988 31.823 -0.776 0.000 0.991 262 V HN 0.857 nan 8.190 nan 0.000 0.437 263 S N 5.304 120.974 115.700 -0.050 0.000 2.632 263 S HA 0.901 5.371 4.470 0.000 0.000 0.289 263 S C -1.251 173.391 174.600 0.070 0.000 1.115 263 S CA -0.864 57.353 58.200 0.028 0.000 0.889 263 S CB 2.342 65.544 63.200 0.004 0.000 1.116 263 S HN 0.580 nan 8.310 nan 0.000 0.486 264 L N 2.013 123.225 121.223 -0.017 0.000 2.404 264 L HA 0.578 4.918 4.340 0.000 0.000 0.272 264 L C -0.483 176.326 176.870 -0.101 0.000 0.980 264 L CA 0.144 54.882 54.840 -0.170 0.000 0.836 264 L CB 0.782 42.623 42.059 -0.362 0.000 1.238 264 L HN 0.872 nan 8.230 nan 0.000 0.408 265 N N 4.455 123.106 118.700 -0.081 0.000 2.716 265 N HA -0.218 4.522 4.740 0.000 0.000 0.250 265 N C 0.953 176.449 175.510 -0.025 0.000 1.033 265 N CA 1.405 54.427 53.050 -0.045 0.000 0.727 265 N CB -0.994 37.460 38.487 -0.055 0.000 0.950 265 N HN 1.276 nan 8.380 nan 0.000 0.541 266 G N -2.564 106.228 108.800 -0.013 0.000 2.175 266 G HA2 -0.276 3.684 3.960 0.000 0.000 0.244 266 G HA3 -0.276 3.684 3.960 0.000 0.000 0.244 266 G C 0.069 174.965 174.900 -0.006 0.000 0.982 266 G CA 0.540 45.637 45.100 -0.005 0.000 0.641 266 G HN 0.518 nan 8.290 nan 0.000 0.527 267 T N 1.701 116.249 114.554 -0.010 0.000 2.812 267 T HA 0.545 4.895 4.350 0.000 0.000 0.282 267 T C 0.279 174.978 174.700 -0.002 0.000 0.990 267 T CA 0.090 62.187 62.100 -0.006 0.000 0.960 267 T CB 1.638 70.502 68.868 -0.007 0.000 0.948 267 T HN 0.221 nan 8.240 nan 0.000 0.438 268 T N 2.898 117.450 114.554 -0.003 0.000 2.871 268 T HA 0.103 4.453 4.350 0.000 0.000 0.296 268 T C 1.732 176.434 174.700 0.004 0.000 0.998 268 T CA -0.059 62.036 62.100 -0.007 0.000 1.162 268 T CB 0.332 69.192 68.868 -0.014 0.000 0.947 268 T HN 0.581 nan 8.240 nan 0.000 0.536 269 V N 0.918 120.839 119.914 0.011 0.000 3.048 269 V HA 0.402 4.522 4.120 0.000 0.000 0.241 269 V C 0.863 176.955 176.094 -0.004 0.000 1.129 269 V CA 0.525 62.844 62.300 0.031 0.000 1.128 269 V CB 0.328 32.219 31.823 0.114 0.000 0.849 269 V HN 0.795 nan 8.190 nan 0.000 0.475 270 T N 0.208 114.735 114.554 -0.045 0.000 2.932 270 T HA 0.505 4.855 4.350 0.000 0.000 0.318 270 T C -1.931 172.723 174.700 -0.077 0.000 1.265 270 T CA -0.334 61.730 62.100 -0.060 0.000 1.036 270 T CB 2.164 70.993 68.868 -0.065 0.000 1.209 270 T HN 0.431 nan 8.240 nan 0.000 0.484 271 E N 2.179 122.348 120.200 -0.051 0.000 2.263 271 E HA 0.567 4.917 4.350 0.000 0.000 0.268 271 E C -1.093 175.487 176.600 -0.032 0.000 0.884 271 E CA -0.553 55.819 56.400 -0.047 0.000 0.766 271 E CB 1.960 31.639 29.700 -0.035 0.000 1.196 271 E HN 0.686 nan 8.360 nan 0.000 0.416 272 V N 0.587 120.483 119.914 -0.029 0.000 2.914 272 V HA 0.824 4.944 4.120 0.000 0.000 0.314 272 V C -0.636 175.448 176.094 -0.016 0.000 1.084 272 V CA -0.909 61.382 62.300 -0.016 0.000 0.963 272 V CB 2.060 33.880 31.823 -0.005 0.000 1.025 272 V HN 0.674 nan 8.190 nan 0.000 0.432 273 K N 2.001 122.394 120.400 -0.012 0.000 2.509 273 K HA 0.788 5.108 4.320 0.000 0.000 0.266 273 K C -1.466 175.129 176.600 -0.008 0.000 0.987 273 K CA -0.858 55.421 56.287 -0.014 0.000 0.868 273 K CB 2.736 35.227 32.500 -0.015 0.000 1.421 273 K HN 0.853 nan 8.250 nan 0.000 0.444 274 Q N 1.401 121.196 119.800 -0.009 0.000 2.327 274 Q HA 0.136 4.476 4.340 0.000 0.000 0.265 274 Q C -1.360 174.637 176.000 -0.005 0.000 0.993 274 Q CA -0.738 55.062 55.803 -0.004 0.000 0.885 274 Q CB 2.151 30.888 28.738 -0.000 0.000 1.379 274 Q HN 0.581 nan 8.270 nan 0.000 0.408 275 Q N 1.632 121.430 119.800 -0.003 0.000 2.314 275 Q HA 0.422 4.762 4.340 0.000 0.000 0.258 275 Q C -0.194 175.806 176.000 0.000 0.000 0.954 275 Q CA 0.015 55.817 55.803 -0.002 0.000 0.890 275 Q CB 1.331 30.069 28.738 -0.001 0.000 1.210 275 Q HN 0.502 nan 8.270 nan 0.000 0.410 276 V N -1.158 118.756 119.914 0.000 0.000 3.114 276 V HA 0.768 4.888 4.120 0.000 0.000 0.308 276 V C -0.537 175.559 176.094 0.003 0.000 1.168 276 V CA -0.909 61.393 62.300 0.003 0.000 1.015 276 V CB 2.413 34.238 31.823 0.003 0.000 1.050 276 V HN 0.633 nan 8.190 nan 0.000 0.433 277 T N 4.019 118.577 114.554 0.005 0.000 2.772 277 T HA 0.656 5.006 4.350 0.000 0.000 0.288 277 T C -0.283 174.420 174.700 0.006 0.000 0.994 277 T CA -0.233 61.870 62.100 0.006 0.000 0.951 277 T CB 0.858 69.731 68.868 0.007 0.000 0.933 277 T HN 0.657 nan 8.240 nan 0.000 0.447 278 L N 4.226 125.453 121.223 0.005 0.000 2.326 278 L HA 0.420 4.760 4.340 0.000 0.000 0.278 278 L C 0.864 177.739 176.870 0.007 0.000 1.092 278 L CA -0.713 54.130 54.840 0.004 0.000 0.810 278 L CB 0.723 42.785 42.059 0.004 0.000 1.153 278 L HN 0.658 nan 8.230 nan 0.000 0.439 279 Q N 3.306 123.110 119.800 0.006 0.000 2.204 279 Q HA 0.578 4.918 4.340 0.000 0.000 0.254 279 Q C -2.660 173.346 176.000 0.010 0.000 0.981 279 Q CA -2.371 53.437 55.803 0.009 0.000 0.897 279 Q CB 1.166 29.910 28.738 0.010 0.000 1.273 279 Q HN 0.253 nan 8.270 nan 0.000 0.464 280 P HA 0.089 nan 4.420 nan 0.000 0.266 280 P C 0.340 177.648 177.300 0.013 0.000 1.195 280 P CA 1.620 64.730 63.100 0.017 0.000 0.768 280 P CB 0.511 32.222 31.700 0.018 0.000 0.838 281 G N 2.944 111.754 108.800 0.016 0.000 2.498 281 G HA2 -0.201 3.759 3.960 0.000 0.000 0.245 281 G HA3 -0.201 3.759 3.960 0.000 0.000 0.245 281 G C -0.620 174.269 174.900 -0.017 0.000 1.204 281 G CA -0.652 44.453 45.100 0.009 0.000 0.933 281 G HN 0.520 nan 8.290 nan 0.000 0.574 282 I N 2.567 123.116 120.570 -0.036 0.000 2.496 282 I HA 0.269 4.439 4.170 0.000 0.000 0.285 282 I C 0.164 176.192 176.117 -0.149 0.000 1.080 282 I CA 0.027 61.262 61.300 -0.107 0.000 1.404 282 I CB 0.401 38.335 38.000 -0.111 0.000 1.403 282 I HN 0.442 nan 8.210 nan 0.000 0.539 283 N N 5.710 124.279 118.700 -0.218 0.000 2.296 283 N HA 0.349 5.089 4.740 0.000 0.000 0.294 283 N C -0.848 174.484 175.510 -0.297 0.000 1.033 283 N CA -0.613 52.333 53.050 -0.174 0.000 0.839 283 N CB 2.166 40.610 38.487 -0.072 0.000 1.395 283 N HN 0.499 nan 8.380 nan 0.000 0.479 284 H N 2.224 121.309 119.070 0.026 0.000 2.595 284 H HA 0.440 4.996 4.556 0.000 0.000 0.313 284 H C -0.347 174.997 175.328 0.027 0.000 1.023 284 H CA -0.202 55.865 56.048 0.032 0.000 1.218 284 H CB 1.398 31.178 29.762 0.031 0.000 1.403 284 H HN 0.423 nan 8.280 nan 0.000 0.477 285 I N 2.410 123.054 120.570 0.124 0.000 2.474 285 I HA 0.209 4.379 4.170 0.000 0.000 0.294 285 I C 0.103 176.273 176.117 0.089 0.000 1.005 285 I CA -0.268 61.079 61.300 0.079 0.000 1.113 285 I CB 2.092 40.113 38.000 0.035 0.000 1.289 285 I HN 0.374 nan 8.210 nan 0.000 0.436 286 T N 6.784 121.378 114.554 0.066 0.000 2.841 286 T HA 0.650 5.000 4.350 0.000 0.000 0.285 286 T C -0.746 173.979 174.700 0.041 0.000 0.991 286 T CA -0.428 61.706 62.100 0.058 0.000 0.966 286 T CB 1.167 70.060 68.868 0.042 0.000 0.962 286 T HN 0.101 nan 8.240 nan 0.000 0.438 287 L N 6.060 127.312 121.223 0.049 0.000 2.343 287 L HA 0.474 4.815 4.340 0.000 0.000 0.278 287 L C -2.167 174.730 176.870 0.045 0.000 0.996 287 L CA -1.985 52.879 54.840 0.040 0.000 0.831 287 L CB 1.712 43.794 42.059 0.039 0.000 1.232 287 L HN 0.356 nan 8.230 nan 0.000 0.413 288 P HA 0.336 nan 4.420 nan 0.000 0.271 288 P C -1.149 176.173 177.300 0.036 0.000 1.218 288 P CA -0.279 62.835 63.100 0.024 0.000 0.780 288 P CB 1.493 33.199 31.700 0.010 0.000 0.901 289 A N 2.196 125.045 122.820 0.048 0.000 2.515 289 A HA 0.592 4.912 4.320 0.000 0.000 0.298 289 A C -0.905 176.696 177.584 0.030 0.000 1.059 289 A CA -0.631 51.430 52.037 0.041 0.000 0.698 289 A CB 1.586 20.626 19.000 0.066 0.000 1.289 289 A HN 0.535 nan 8.150 nan 0.000 0.404 290 E N 0.354 120.557 120.200 0.005 0.000 2.256 290 E HA 0.585 4.935 4.350 0.000 0.000 0.267 290 E C -1.421 175.168 176.600 -0.019 0.000 0.892 290 E CA -0.975 55.424 56.400 -0.002 0.000 0.775 290 E CB 2.612 32.310 29.700 -0.002 0.000 1.207 290 E HN 0.318 nan 8.360 nan 0.000 0.420 291 V N 1.980 121.878 119.914 -0.027 0.000 2.378 291 V HA 0.235 4.355 4.120 0.000 0.000 0.288 291 V C 0.122 176.216 176.094 -0.001 0.000 1.016 291 V CA -0.845 61.433 62.300 -0.037 0.000 0.840 291 V CB 1.362 33.103 31.823 -0.136 0.000 0.994 291 V HN 0.840 nan 8.190 nan 0.000 0.431 292 T N 1.798 116.364 114.554 0.021 0.000 2.869 292 T HA 0.280 4.631 4.350 0.000 0.000 0.295 292 T C 0.488 175.220 174.700 0.053 0.000 0.987 292 T CA -0.464 61.654 62.100 0.030 0.000 1.109 292 T CB 0.359 69.243 68.868 0.027 0.000 0.932 292 T HN 0.690 nan 8.240 nan 0.000 0.518 293 N N 1.472 120.201 118.700 0.050 0.000 2.714 293 N HA -0.101 4.639 4.740 0.000 0.000 0.253 293 N C -2.401 173.169 175.510 0.101 0.000 1.024 293 N CA 0.388 53.476 53.050 0.064 0.000 0.726 293 N CB -1.169 37.352 38.487 0.057 0.000 0.908 293 N HN 0.634 nan 8.380 nan 0.000 0.542 294 P HA 0.070 nan 4.420 nan 0.000 0.269 294 P C 0.103 177.537 177.300 0.224 0.000 1.209 294 P CA -0.116 63.084 63.100 0.167 0.000 0.776 294 P CB 0.881 32.630 31.700 0.082 0.000 0.876 295 V N 4.425 124.560 119.914 0.369 0.000 2.364 295 V HA 0.248 4.368 4.120 0.000 0.000 0.272 295 V C 1.155 177.440 176.094 0.319 0.000 1.036 295 V CA -0.428 62.029 62.300 0.262 0.000 0.880 295 V CB 0.304 32.220 31.823 0.156 0.000 0.991 295 V HN 0.472 nan 8.190 nan 0.000 0.460 296 R N 2.727 123.364 120.500 0.229 0.000 2.531 296 R HA 0.225 4.565 4.340 0.000 0.000 0.273 296 R C -0.610 175.869 176.300 0.299 0.000 1.070 296 R CA -0.476 55.779 56.100 0.259 0.000 1.112 296 R CB 1.197 31.616 30.300 0.198 0.000 1.049 296 R HN 0.768 nan 8.270 nan 0.000 0.508 297 W N 4.661 126.047 121.300 0.142 0.000 2.311 297 W HA 0.214 4.874 4.660 -0.000 0.000 0.310 297 W C -0.894 175.701 176.519 0.127 0.000 1.274 297 W CA -0.392 57.026 57.345 0.122 0.000 1.215 297 W CB 0.708 30.234 29.460 0.111 0.000 1.227 297 W HN 0.285 nan 8.180 nan 0.000 0.523 298 M N 9.209 128.647 119.600 -0.270 0.000 2.456 298 M HA 0.370 4.850 4.480 0.000 0.000 0.324 298 M C -2.213 173.670 176.300 -0.695 0.000 1.124 298 M CA -2.153 53.019 55.300 -0.213 0.000 0.959 298 M CB 1.577 34.179 32.600 0.004 0.000 1.692 298 M HN 0.226 nan 8.290 nan 0.000 0.444 299 P HA 0.069 nan 4.420 nan 0.000 0.274 299 P C -0.555 176.528 177.300 -0.362 0.000 1.237 299 P CA -0.402 62.387 63.100 -0.518 0.000 0.793 299 P CB 0.320 31.833 31.700 -0.312 0.000 0.977 300 N N 0.631 119.145 118.700 -0.310 0.000 2.301 300 N HA 0.082 4.822 4.740 0.000 0.000 0.267 300 N C 1.420 176.818 175.510 -0.187 0.000 1.304 300 N CA 2.181 55.113 53.050 -0.197 0.000 0.851 300 N CB -0.703 37.702 38.487 -0.135 0.000 1.070 300 N HN 0.760 nan 8.380 nan 0.000 0.483 301 G N 2.634 111.387 108.800 -0.078 0.000 2.238 301 G HA2 -0.219 3.741 3.960 0.000 0.000 0.217 301 G HA3 -0.219 3.741 3.960 0.000 0.000 0.217 301 G C 0.252 175.280 174.900 0.213 0.000 0.996 301 G CA 0.089 45.192 45.100 0.006 0.000 0.632 301 G HN 0.556 nan 8.290 nan 0.000 0.503 302 W N 1.847 123.108 121.300 -0.065 0.000 2.991 302 W HA 0.598 5.258 4.660 -0.000 0.000 0.391 302 W C 1.197 177.676 176.519 -0.067 0.000 1.054 302 W CA 0.151 57.465 57.345 -0.050 0.000 1.856 302 W CB 0.005 29.441 29.460 -0.040 0.000 1.132 302 W HN 1.201 nan 8.180 nan 0.000 0.601 303 G N -0.135 108.730 108.800 0.107 0.000 2.280 303 G HA2 -0.100 3.860 3.960 0.000 0.000 0.277 303 G HA3 -0.100 3.860 3.960 0.000 0.000 0.277 303 G C -0.640 174.230 174.900 -0.049 0.000 1.288 303 G CA -0.933 44.185 45.100 0.029 0.000 1.075 303 G HN -0.231 nan 8.290 nan 0.000 0.480 304 T N 3.630 118.151 114.554 -0.055 0.000 2.851 304 T HA 0.523 4.873 4.350 0.000 0.000 0.298 304 T C -2.056 172.530 174.700 -0.190 0.000 0.977 304 T CA -0.241 61.807 62.100 -0.087 0.000 1.126 304 T CB 1.690 70.536 68.868 -0.037 0.000 0.916 304 T HN 0.467 nan 8.240 nan 0.000 0.529 305 P HA 0.134 nan 4.420 nan 0.000 0.225 305 P C -0.343 176.929 177.300 -0.046 0.000 1.813 305 P CA -0.465 62.316 63.100 -0.533 0.000 1.013 305 P CB -0.822 30.624 31.700 -0.423 0.000 1.961 306 T N 3.107 117.700 114.554 0.066 0.000 2.871 306 T HA 0.153 4.503 4.350 0.000 0.000 0.296 306 T C 0.506 175.411 174.700 0.343 0.000 0.998 306 T CA 0.457 62.658 62.100 0.169 0.000 1.162 306 T CB 0.179 69.130 68.868 0.139 0.000 0.947 306 T HN 0.200 nan 8.240 nan 0.000 0.536 307 L N 3.827 125.180 121.223 0.217 0.000 2.372 307 L HA 0.437 4.777 4.340 0.000 0.000 0.274 307 L C -0.543 176.430 176.870 0.172 0.000 0.988 307 L CA -1.057 53.936 54.840 0.254 0.000 0.833 307 L CB 0.990 43.180 42.059 0.218 0.000 1.236 307 L HN 0.642 nan 8.230 nan 0.000 0.410 308 Y N 1.259 121.682 120.300 0.206 0.000 2.301 308 Y HA 0.150 4.700 4.550 -0.000 0.000 0.328 308 Y C 0.494 176.554 175.900 0.267 0.000 1.242 308 Y CA -0.244 57.994 58.100 0.231 0.000 1.323 308 Y CB 0.902 39.575 38.460 0.357 0.000 1.266 308 Y HN 0.453 nan 8.280 nan 0.000 0.527 309 D N 2.728 123.336 120.400 0.346 0.000 2.329 309 D HA 0.184 4.824 4.640 0.000 0.000 0.232 309 D C -1.240 175.243 176.300 0.304 0.000 1.088 309 D CA -0.094 54.080 54.000 0.290 0.000 0.835 309 D CB 0.877 41.766 40.800 0.149 0.000 1.078 309 D HN 0.215 nan 8.370 nan 0.000 0.495 310 F N 1.180 121.226 119.950 0.159 0.000 2.404 310 F HA 0.210 4.737 4.527 0.001 0.000 0.354 310 F C 0.825 176.767 175.800 0.237 0.000 1.122 310 F CA -0.614 57.503 58.000 0.195 0.000 1.080 310 F CB 1.775 40.894 39.000 0.197 0.000 1.131 310 F HN 0.027 nan 8.300 nan 0.000 0.471 311 S N 3.079 118.933 115.700 0.256 0.000 2.519 311 S HA 0.875 5.345 4.470 0.000 0.000 0.309 311 S C -0.838 173.754 174.600 -0.014 0.000 1.100 311 S CA -0.490 57.789 58.200 0.131 0.000 1.059 311 S CB 0.929 64.157 63.200 0.047 0.000 1.008 311 S HN 0.772 nan 8.310 nan 0.000 0.478 312 A N 4.413 127.100 122.820 -0.222 0.000 2.318 312 A HA 0.747 5.067 4.320 0.000 0.000 0.324 312 A C -0.553 176.884 177.584 -0.245 0.000 1.170 312 A CA -0.644 51.144 52.037 -0.414 0.000 0.810 312 A CB 0.950 19.325 19.000 -1.042 0.000 1.198 312 A HN 0.845 nan 8.150 nan 0.000 0.484 313 Q N 1.303 121.004 119.800 -0.165 0.000 2.394 313 Q HA 0.541 4.881 4.340 0.000 0.000 0.273 313 Q C -1.167 174.780 176.000 -0.090 0.000 1.089 313 Q CA -0.821 54.918 55.803 -0.106 0.000 0.812 313 Q CB 2.544 31.242 28.738 -0.067 0.000 1.353 313 Q HN 0.622 nan 8.270 nan 0.000 0.438 314 I N 1.835 122.365 120.570 -0.067 0.000 2.354 314 I HA 0.456 4.627 4.170 0.000 0.000 0.286 314 I C -0.416 175.686 176.117 -0.024 0.000 1.007 314 I CA -0.469 60.805 61.300 -0.044 0.000 1.167 314 I CB 0.762 38.739 38.000 -0.037 0.000 1.320 314 I HN 0.593 nan 8.210 nan 0.000 0.458 315 A N 6.281 129.089 122.820 -0.020 0.000 2.260 315 A HA 0.560 4.880 4.320 0.000 0.000 0.314 315 A C -0.447 177.134 177.584 -0.004 0.000 1.257 315 A CA -0.317 51.714 52.037 -0.011 0.000 0.871 315 A CB 0.489 19.481 19.000 -0.013 0.000 1.166 315 A HN 0.762 nan 8.150 nan 0.000 0.522 316 C N 3.326 122.627 119.300 0.002 0.000 2.294 316 C HA 0.733 5.194 4.460 0.000 0.000 0.319 316 C C 1.348 176.341 174.990 0.006 0.000 1.164 316 C CA 0.385 59.407 59.018 0.006 0.000 1.497 316 C CB -0.547 27.201 27.740 0.013 0.000 2.061 316 C HN 1.720 nan 8.230 nan 0.000 0.438 317 G N 4.706 113.508 108.800 0.003 0.000 2.561 317 G HA2 -0.264 3.696 3.960 0.000 0.000 0.289 317 G HA3 -0.264 3.696 3.960 0.000 0.000 0.289 317 G C 0.299 175.199 174.900 0.001 0.000 1.169 317 G CA 0.864 45.965 45.100 0.002 0.000 0.980 317 G HN 0.782 nan 8.290 nan 0.000 0.550 318 D N 0.767 121.167 120.400 0.002 0.000 2.424 318 D HA 0.237 4.877 4.640 0.000 0.000 0.220 318 D C 0.876 177.177 176.300 0.002 0.000 1.150 318 D CA -0.124 53.877 54.000 0.000 0.000 0.831 318 D CB -0.115 40.685 40.800 0.000 0.000 0.981 318 D HN 0.645 nan 8.370 nan 0.000 0.500 319 R N 0.888 121.391 120.500 0.005 0.000 2.202 319 R HA 0.311 4.651 4.340 0.000 0.000 0.334 319 R C -0.092 176.213 176.300 0.007 0.000 1.036 319 R CA -0.748 55.358 56.100 0.009 0.000 0.878 319 R CB 1.365 31.674 30.300 0.015 0.000 1.067 319 R HN 0.081 nan 8.270 nan 0.000 0.457 320 I N 5.682 126.255 120.570 0.005 0.000 2.357 320 I HA -0.058 4.112 4.170 0.000 0.000 0.300 320 I C 1.780 177.904 176.117 0.011 0.000 1.159 320 I CA 0.288 61.588 61.300 0.000 0.000 1.339 320 I CB 0.149 38.145 38.000 -0.006 0.000 1.458 320 I HN 0.571 nan 8.210 nan 0.000 0.577 321 V N 3.519 123.443 119.914 0.018 0.000 2.591 321 V HA 0.288 4.408 4.120 0.000 0.000 0.249 321 V C 0.922 177.036 176.094 0.034 0.000 1.053 321 V CA 0.833 63.159 62.300 0.044 0.000 1.068 321 V CB -0.298 31.561 31.823 0.060 0.000 0.689 321 V HN 0.661 nan 8.190 nan 0.000 0.462 322 A N -0.142 122.676 122.820 -0.004 0.000 2.486 322 A HA 0.789 5.109 4.320 0.000 0.000 0.300 322 A C -0.864 176.686 177.584 -0.057 0.000 1.048 322 A CA -0.486 51.527 52.037 -0.039 0.000 0.696 322 A CB 1.968 20.929 19.000 -0.065 0.000 1.278 322 A HN 0.335 nan 8.150 nan 0.000 0.405 323 E N 1.145 121.306 120.200 -0.064 0.000 2.321 323 E HA 0.533 4.883 4.350 0.000 0.000 0.278 323 E C -1.817 174.733 176.600 -0.083 0.000 0.902 323 E CA -0.315 56.039 56.400 -0.077 0.000 0.758 323 E CB 2.202 31.872 29.700 -0.050 0.000 1.213 323 E HN 0.691 nan 8.360 nan 0.000 0.426 324 Q N 1.433 121.167 119.800 -0.110 0.000 2.331 324 Q HA 0.555 4.895 4.340 0.000 0.000 0.272 324 Q C -1.783 174.190 176.000 -0.046 0.000 1.062 324 Q CA -0.409 55.341 55.803 -0.089 0.000 0.806 324 Q CB 2.132 30.831 28.738 -0.064 0.000 1.312 324 Q HN 0.348 nan 8.270 nan 0.000 0.431 325 S N 2.315 117.960 115.700 -0.090 0.000 2.566 325 S HA 0.706 5.176 4.470 0.000 0.000 0.298 325 S C -1.490 172.956 174.600 -0.256 0.000 1.083 325 S CA -0.645 57.541 58.200 -0.023 0.000 0.978 325 S CB 0.824 64.037 63.200 0.022 0.000 1.073 325 S HN 0.586 nan 8.310 nan 0.000 0.491 326 H N 1.151 120.313 119.070 0.153 0.000 2.806 326 H HA 0.374 4.931 4.556 0.000 0.000 0.367 326 H C -0.566 174.795 175.328 0.056 0.000 1.136 326 H CA -0.680 55.368 56.048 0.001 0.000 1.178 326 H CB 1.290 30.937 29.762 -0.191 0.000 1.718 326 H HN 0.421 nan 8.280 nan 0.000 0.540 327 R N 1.916 122.508 120.500 0.152 0.000 2.340 327 R HA 0.353 4.693 4.340 0.000 0.000 0.300 327 R C -0.244 176.082 176.300 0.042 0.000 1.069 327 R CA -0.439 55.743 56.100 0.138 0.000 0.984 327 R CB 0.779 31.150 30.300 0.118 0.000 1.003 327 R HN 0.325 nan 8.270 nan 0.000 0.459 328 I N 1.747 122.377 120.570 0.101 0.000 2.466 328 I HA 0.269 4.439 4.170 0.000 0.000 0.289 328 I C 0.474 176.637 176.117 0.077 0.000 1.026 328 I CA -0.502 60.757 61.300 -0.069 0.000 1.078 328 I CB 1.767 39.514 38.000 -0.422 0.000 1.249 328 I HN 0.677 nan 8.210 nan 0.000 0.429 329 G N 6.820 115.568 108.800 -0.086 0.000 2.335 329 G HA2 0.615 4.575 3.960 0.000 0.000 0.316 329 G HA3 0.615 4.575 3.960 0.000 0.000 0.316 329 G C -0.612 174.279 174.900 -0.014 0.000 1.129 329 G CA -0.470 44.622 45.100 -0.014 0.000 0.899 329 G HN 0.479 nan 8.290 nan 0.000 0.448 330 L N 4.324 125.643 121.223 0.159 0.000 2.255 330 L HA 0.609 4.949 4.340 0.000 0.000 0.289 330 L C 0.369 177.336 176.870 0.162 0.000 1.046 330 L CA -0.793 54.097 54.840 0.083 0.000 0.816 330 L CB 0.375 42.475 42.059 0.068 0.000 1.197 330 L HN 0.632 nan 8.230 nan 0.000 0.427 331 R N 1.770 122.331 120.500 0.101 0.000 2.712 331 R HA 0.506 4.846 4.340 0.000 0.000 0.272 331 R C -1.254 175.099 176.300 0.088 0.000 1.032 331 R CA -0.697 55.502 56.100 0.165 0.000 0.874 331 R CB 1.258 31.752 30.300 0.324 0.000 1.256 331 R HN 0.380 nan 8.270 nan 0.000 0.468 332 T N -0.693 113.929 114.554 0.113 0.000 2.855 332 T HA 0.753 5.103 4.350 0.000 0.000 0.281 332 T C 0.267 175.032 174.700 0.108 0.000 1.007 332 T CA -0.766 61.380 62.100 0.077 0.000 1.009 332 T CB 1.054 69.959 68.868 0.062 0.000 0.983 332 T HN 0.480 nan 8.240 nan 0.000 0.455 333 I N 2.132 122.745 120.570 0.072 0.000 2.466 333 I HA 0.523 4.693 4.170 0.000 0.000 0.289 333 I C -0.094 176.029 176.117 0.011 0.000 1.026 333 I CA -0.910 60.442 61.300 0.088 0.000 1.078 333 I CB 2.212 40.278 38.000 0.111 0.000 1.249 333 I HN 0.585 nan 8.210 nan 0.000 0.429 334 R N 5.646 126.120 120.500 -0.044 0.000 2.513 334 R HA 0.634 4.974 4.340 0.000 0.000 0.301 334 R C -1.718 174.333 176.300 -0.416 0.000 0.968 334 R CA -0.555 55.439 56.100 -0.177 0.000 0.872 334 R CB 2.112 32.326 30.300 -0.144 0.000 1.177 334 R HN 0.426 nan 8.270 nan 0.000 0.444 335 V N 5.369 124.886 119.914 -0.661 0.000 2.385 335 V HA 0.223 4.343 4.120 0.000 0.000 0.269 335 V C -0.088 175.322 176.094 -1.140 0.000 1.043 335 V CA -0.561 60.981 62.300 -1.263 0.000 0.906 335 V CB 1.418 32.066 31.823 -1.960 0.000 0.995 335 V HN 0.473 nan 8.190 nan 0.000 0.467 336 V N 5.576 124.772 119.914 -1.197 0.000 2.350 336 V HA 0.379 4.499 4.120 0.000 0.000 0.276 336 V C 0.303 175.894 176.094 -0.840 0.000 1.028 336 V CA -0.404 61.312 62.300 -0.974 0.000 0.860 336 V CB 1.067 32.152 31.823 -1.230 0.000 0.990 336 V HN 0.949 nan 8.190 nan 0.000 0.453 337 N N 4.345 122.726 118.700 -0.531 0.000 2.664 337 N HA 0.374 5.114 4.740 0.000 0.000 0.257 337 N C -1.016 174.447 175.510 -0.080 0.000 1.108 337 N CA -0.319 52.577 53.050 -0.258 0.000 0.822 337 N CB 1.323 39.657 38.487 -0.254 0.000 1.199 337 N HN 0.765 nan 8.380 nan 0.000 0.529 338 E N 1.732 121.927 120.200 -0.009 0.000 2.314 338 E HA 0.252 4.602 4.350 0.000 0.000 0.272 338 E C -0.935 175.712 176.600 0.078 0.000 0.884 338 E CA -0.824 55.593 56.400 0.027 0.000 0.753 338 E CB 2.443 32.150 29.700 0.012 0.000 1.213 338 E HN 0.296 nan 8.360 nan 0.000 0.432 339 K N 2.440 122.887 120.400 0.077 0.000 2.524 339 K HA 0.008 4.328 4.320 0.000 0.000 0.279 339 K C -0.374 176.273 176.600 0.078 0.000 0.993 339 K CA 0.781 57.119 56.287 0.084 0.000 1.030 339 K CB 0.146 32.690 32.500 0.073 0.000 0.891 339 K HN 0.490 nan 8.250 nan 0.000 0.488 340 D N 0.393 120.844 120.400 0.084 0.000 2.677 340 D HA 0.033 4.673 4.640 0.000 0.000 0.298 340 D C 0.312 176.662 176.300 0.083 0.000 1.250 340 D CA -0.907 53.142 54.000 0.081 0.000 0.888 340 D CB 0.314 41.167 40.800 0.088 0.000 1.397 340 D HN 0.365 nan 8.370 nan 0.000 0.461 341 K N -0.768 119.683 120.400 0.085 0.000 2.281 341 K HA -0.118 4.202 4.320 0.000 0.000 0.203 341 K C 0.118 176.785 176.600 0.112 0.000 1.046 341 K CA 1.354 57.695 56.287 0.090 0.000 0.938 341 K CB -0.196 32.357 32.500 0.088 0.000 0.737 341 K HN 0.245 nan 8.250 nan 0.000 0.458 342 D N 0.015 120.490 120.400 0.125 0.000 2.360 342 D HA 0.124 4.764 4.640 0.000 0.000 0.210 342 D C 1.041 177.424 176.300 0.138 0.000 1.047 342 D CA 0.933 55.037 54.000 0.173 0.000 0.854 342 D CB 1.289 42.209 40.800 0.200 0.000 0.936 342 D HN 0.522 nan 8.370 nan 0.000 0.514 343 G N 0.904 109.766 108.800 0.104 0.000 1.781 343 G HA2 -0.107 3.853 3.960 0.000 0.000 0.082 343 G HA3 -0.107 3.853 3.960 0.000 0.000 0.082 343 G C -1.117 173.849 174.900 0.109 0.000 0.919 343 G CA -0.712 44.450 45.100 0.104 0.000 1.202 343 G HN 0.142 nan 8.290 nan 0.000 0.393 344 E N 1.091 121.366 120.200 0.124 0.000 2.260 344 E HA 0.525 4.875 4.350 0.000 0.000 0.266 344 E C -0.132 176.575 176.600 0.179 0.000 0.887 344 E CA -0.164 56.337 56.400 0.169 0.000 0.777 344 E CB 2.087 31.946 29.700 0.265 0.000 1.205 344 E HN 0.717 nan 8.360 nan 0.000 0.414 345 S N 2.145 117.944 115.700 0.166 0.000 2.589 345 S HA 0.377 4.847 4.470 0.000 0.000 0.265 345 S C -0.245 174.525 174.600 0.284 0.000 1.342 345 S CA -0.365 57.962 58.200 0.211 0.000 1.005 345 S CB 0.585 63.949 63.200 0.273 0.000 0.909 345 S HN 0.518 nan 8.310 nan 0.000 0.555 346 F N 2.641 122.677 119.950 0.143 0.000 3.287 346 F HA 0.486 5.013 4.527 0.000 0.000 0.379 346 F C -1.329 174.499 175.800 0.046 0.000 1.268 346 F CA -0.661 57.330 58.000 -0.015 0.000 1.220 346 F CB 0.796 39.818 39.000 0.037 0.000 1.687 346 F HN 0.829 nan 8.300 nan 0.000 0.648 347 Y N 2.283 122.303 120.300 -0.466 0.000 2.638 347 Y HA 0.732 5.282 4.550 0.000 0.000 0.335 347 Y C -2.117 173.497 175.900 -0.478 0.000 1.155 347 Y CA -2.243 55.728 58.100 -0.215 0.000 1.046 347 Y CB 1.016 39.502 38.460 0.044 0.000 1.303 347 Y HN 0.212 nan 8.280 nan 0.000 0.460 348 F N 1.758 121.727 119.950 0.032 0.000 2.420 348 F HA 0.417 4.944 4.527 -0.000 0.000 0.342 348 F C 0.180 176.056 175.800 0.127 0.000 1.113 348 F CA -0.502 57.464 58.000 -0.056 0.000 1.059 348 F CB 1.689 40.684 39.000 -0.007 0.000 1.128 348 F HN 0.604 nan 8.300 nan 0.000 0.475 349 E N 3.605 123.900 120.200 0.158 0.000 2.155 349 E HA 0.506 4.856 4.350 0.000 0.000 0.264 349 E C -1.881 174.857 176.600 0.230 0.000 0.886 349 E CA -0.518 56.019 56.400 0.228 0.000 0.752 349 E CB 1.659 31.433 29.700 0.124 0.000 1.133 349 E HN 0.456 nan 8.360 nan 0.000 0.414 350 V N 5.106 125.222 119.914 0.337 0.000 2.448 350 V HA 0.211 4.331 4.120 0.000 0.000 0.295 350 V C 0.207 176.505 176.094 0.339 0.000 1.025 350 V CA -0.930 61.579 62.300 0.348 0.000 0.859 350 V CB 1.351 33.410 31.823 0.392 0.000 0.988 350 V HN 0.854 nan 8.190 nan 0.000 0.431 351 N N 3.992 122.840 118.700 0.247 0.000 2.710 351 N HA -0.232 4.508 4.740 0.000 0.000 0.249 351 N C 1.217 176.805 175.510 0.130 0.000 1.059 351 N CA 1.513 54.670 53.050 0.179 0.000 0.720 351 N CB -0.978 37.624 38.487 0.192 0.000 0.983 351 N HN 1.535 nan 8.380 nan 0.000 0.544 352 G N -1.427 107.452 108.800 0.132 0.000 2.179 352 G HA2 -0.318 3.642 3.960 0.000 0.000 0.260 352 G HA3 -0.318 3.642 3.960 0.000 0.000 0.260 352 G C 0.076 175.046 174.900 0.116 0.000 0.977 352 G CA 0.456 45.617 45.100 0.101 0.000 0.641 352 G HN 0.499 nan 8.290 nan 0.000 0.533 353 I N 2.147 122.815 120.570 0.164 0.000 2.362 353 I HA 0.362 4.532 4.170 0.000 0.000 0.289 353 I C -2.204 174.128 176.117 0.357 0.000 0.994 353 I CA -2.673 58.727 61.300 0.166 0.000 1.158 353 I CB 2.071 40.035 38.000 -0.060 0.000 1.315 353 I HN -0.195 nan 8.210 nan 0.000 0.451 354 P HA 0.062 nan 4.420 nan 0.000 0.267 354 P C -0.733 176.863 177.300 0.492 0.000 1.209 354 P CA 0.039 63.374 63.100 0.393 0.000 0.763 354 P CB 0.506 32.330 31.700 0.207 0.000 0.816 355 M N 5.363 125.242 119.600 0.465 0.000 2.046 355 M HA 0.333 4.813 4.480 0.000 0.000 0.309 355 M C -0.966 175.478 176.300 0.240 0.000 0.935 355 M CA -1.188 54.294 55.300 0.304 0.000 0.915 355 M CB 0.479 33.077 32.600 -0.003 0.000 1.474 355 M HN 0.130 nan 8.290 nan 0.000 0.415 356 F N 4.188 124.204 119.950 0.109 0.000 2.571 356 F HA 0.330 4.857 4.527 0.000 0.000 0.384 356 F C 0.214 175.980 175.800 -0.057 0.000 1.058 356 F CA 0.046 58.083 58.000 0.061 0.000 1.200 356 F CB 0.518 39.534 39.000 0.027 0.000 1.077 356 F HN 0.656 nan 8.300 nan 0.000 0.558 357 A N 7.069 129.652 122.820 -0.396 0.000 2.363 357 A HA 0.483 4.803 4.320 0.000 0.000 0.270 357 A C -0.547 176.783 177.584 -0.423 0.000 1.121 357 A CA -0.593 51.257 52.037 -0.311 0.000 0.800 357 A CB 0.347 19.313 19.000 -0.056 0.000 1.052 357 A HN 0.814 nan 8.150 nan 0.000 0.493 358 K N 1.970 122.101 120.400 -0.449 0.000 2.640 358 K HA 0.587 4.907 4.320 0.000 0.000 0.245 358 K C 0.062 176.249 176.600 -0.688 0.000 0.962 358 K CA -0.051 55.693 56.287 -0.905 0.000 0.896 358 K CB 2.053 33.739 32.500 -1.356 0.000 1.147 358 K HN 1.058 nan 8.250 nan 0.000 0.445 359 G N 1.067 109.665 108.800 -0.337 0.000 2.474 359 G HA2 0.729 4.689 3.960 0.000 0.000 0.234 359 G HA3 0.729 4.689 3.960 0.000 0.000 0.234 359 G C -1.784 172.975 174.900 -0.235 0.000 1.204 359 G CA -0.107 44.910 45.100 -0.138 0.000 0.939 359 G HN 0.626 nan 8.290 nan 0.000 0.491 360 A N -0.944 121.649 122.820 -0.378 0.000 2.601 360 A HA 0.730 5.050 4.320 0.000 0.000 0.291 360 A C -1.343 176.003 177.584 -0.396 0.000 1.075 360 A CA -0.707 50.930 52.037 -0.667 0.000 0.671 360 A CB 0.979 19.333 19.000 -1.077 0.000 1.277 360 A HN 0.570 nan 8.150 nan 0.000 0.417 361 N N 0.840 119.298 118.700 -0.404 0.000 2.444 361 N HA 0.323 5.063 4.740 0.000 0.000 0.271 361 N C -1.458 173.907 175.510 -0.241 0.000 1.069 361 N CA 0.259 53.144 53.050 -0.274 0.000 0.965 361 N CB 1.297 39.603 38.487 -0.303 0.000 1.092 361 N HN 0.641 nan 8.380 nan 0.000 0.476 362 Y N 3.820 123.971 120.300 -0.249 0.000 2.342 362 Y HA 0.477 5.027 4.550 0.000 0.000 0.334 362 Y C -0.075 175.678 175.900 -0.244 0.000 1.067 362 Y CA -0.851 57.099 58.100 -0.251 0.000 1.128 362 Y CB 0.619 38.986 38.460 -0.156 0.000 1.200 362 Y HN 0.450 nan 8.280 nan 0.000 0.464 363 I N 3.830 123.785 120.570 -1.025 0.000 3.023 363 I HA 0.745 4.915 4.170 0.000 0.000 0.312 363 I C -2.826 172.573 176.117 -1.196 0.000 1.056 363 I CA -3.222 57.527 61.300 -0.918 0.000 1.033 363 I CB 1.965 39.235 38.000 -1.216 0.000 1.233 363 I HN 0.389 nan 8.210 nan 0.000 0.462 364 P HA 0.060 nan 4.420 nan 0.000 0.266 364 P C -0.543 176.465 177.300 -0.488 0.000 1.193 364 P CA 0.165 62.888 63.100 -0.629 0.000 0.770 364 P CB 0.411 31.635 31.700 -0.794 0.000 0.836 365 Q N 0.333 119.978 119.800 -0.259 0.000 2.451 365 Q HA 0.041 4.381 4.340 0.000 0.000 0.206 365 Q C 0.200 176.232 176.000 0.053 0.000 0.947 365 Q CA 0.853 56.560 55.803 -0.161 0.000 0.937 365 Q CB 0.274 28.917 28.738 -0.159 0.000 1.025 365 Q HN 0.506 nan 8.270 nan 0.000 0.511 366 D N -2.366 118.112 120.400 0.130 0.000 2.717 366 D HA 0.229 4.869 4.640 0.000 0.000 0.223 366 D C -0.395 176.108 176.300 0.339 0.000 1.240 366 D CA -0.059 54.132 54.000 0.319 0.000 0.801 366 D CB 1.542 42.539 40.800 0.329 0.000 1.556 366 D HN -0.063 nan 8.370 nan 0.000 0.462 367 A N 2.346 125.368 122.820 0.336 0.000 2.024 367 A HA -0.000 4.320 4.320 0.000 0.000 0.220 367 A C 1.038 178.673 177.584 0.086 0.000 1.164 367 A CA 1.022 53.177 52.037 0.197 0.000 0.643 367 A CB -0.154 18.920 19.000 0.123 0.000 0.806 367 A HN 0.473 nan 8.150 nan 0.000 0.451 368 L N 0.457 121.765 121.223 0.141 0.000 2.337 368 L HA 0.300 4.640 4.340 0.000 0.000 0.269 368 L C 0.640 177.602 176.870 0.154 0.000 1.018 368 L CA -0.507 54.373 54.840 0.068 0.000 0.876 368 L CB 1.239 43.301 42.059 0.004 0.000 1.236 368 L HN 0.220 nan 8.230 nan 0.000 0.436 369 L N 3.012 124.354 121.223 0.198 0.000 2.043 369 L HA -0.155 4.185 4.340 0.000 0.000 0.212 369 L C -0.412 176.633 176.870 0.291 0.000 1.075 369 L CA 1.579 56.599 54.840 0.299 0.000 0.752 369 L CB -1.180 41.141 42.059 0.437 0.000 0.891 369 L HN 0.521 nan 8.230 nan 0.000 0.432 370 P HA -0.066 nan 4.420 nan 0.000 0.226 370 P C 0.778 178.161 177.300 0.139 0.000 1.153 370 P CA 0.899 64.103 63.100 0.173 0.000 0.777 370 P CB -0.077 31.684 31.700 0.101 0.000 0.794 371 N N -0.838 117.943 118.700 0.134 0.000 2.453 371 N HA -0.041 4.699 4.740 0.000 0.000 0.183 371 N C 0.078 175.672 175.510 0.140 0.000 1.041 371 N CA 0.469 53.593 53.050 0.124 0.000 0.900 371 N CB -0.549 38.014 38.487 0.127 0.000 0.961 371 N HN 0.035 nan 8.380 nan 0.000 0.443 372 V N 2.449 122.464 119.914 0.168 0.000 2.415 372 V HA 0.065 4.185 4.120 0.000 0.000 0.267 372 V C 0.909 177.144 176.094 0.235 0.000 1.042 372 V CA -0.419 61.968 62.300 0.145 0.000 1.000 372 V CB -0.092 31.776 31.823 0.075 0.000 1.015 372 V HN 0.241 nan 8.190 nan 0.000 0.478 373 T N 1.377 116.039 114.554 0.180 0.000 2.788 373 T HA 0.116 4.466 4.350 0.000 0.000 0.287 373 T C 1.425 176.304 174.700 0.298 0.000 1.007 373 T CA 0.068 62.287 62.100 0.198 0.000 1.005 373 T CB 1.001 69.946 68.868 0.128 0.000 1.012 373 T HN 0.545 nan 8.240 nan 0.000 0.530 374 T N 1.112 115.799 114.554 0.222 0.000 2.665 374 T HA -0.137 4.214 4.350 0.000 0.000 0.268 374 T C 1.825 176.646 174.700 0.202 0.000 1.035 374 T CA 2.070 64.290 62.100 0.200 0.000 1.151 374 T CB -0.517 68.411 68.868 0.099 0.000 0.862 374 T HN 0.764 nan 8.240 nan 0.000 0.438 375 E N 0.705 120.992 120.200 0.145 0.000 2.085 375 E HA -0.072 4.278 4.350 0.000 0.000 0.194 375 E C 2.427 179.098 176.600 0.118 0.000 0.994 375 E CA 0.992 57.460 56.400 0.113 0.000 0.801 375 E CB -0.156 29.594 29.700 0.083 0.000 0.743 375 E HN 0.380 nan 8.360 nan 0.000 0.453 376 R N -0.790 119.777 120.500 0.112 0.000 2.096 376 R HA -0.133 4.207 4.340 0.000 0.000 0.235 376 R C 2.061 178.394 176.300 0.055 0.000 1.127 376 R CA 1.311 57.437 56.100 0.044 0.000 0.968 376 R CB -0.332 29.954 30.300 -0.024 0.000 0.861 376 R HN 0.265 nan 8.270 nan 0.000 0.440 377 Y N 1.045 121.414 120.300 0.115 0.000 2.163 377 Y HA -0.218 4.332 4.550 0.000 0.000 0.288 377 Y C 2.541 178.553 175.900 0.186 0.000 1.136 377 Y CA 1.545 59.745 58.100 0.167 0.000 1.147 377 Y CB -0.145 38.408 38.460 0.155 0.000 0.987 377 Y HN 0.097 nan 8.280 nan 0.000 0.509 378 Q N -0.963 119.002 119.800 0.276 0.000 2.084 378 Q HA -0.178 4.163 4.340 0.000 0.000 0.202 378 Q C 2.144 178.245 176.000 0.169 0.000 0.978 378 Q CA 2.073 57.988 55.803 0.186 0.000 0.844 378 Q CB -0.429 28.376 28.738 0.113 0.000 0.898 378 Q HN 0.396 nan 8.270 nan 0.000 0.426 379 T N 1.326 115.957 114.554 0.128 0.000 2.746 379 T HA -0.127 4.223 4.350 0.000 0.000 0.267 379 T C 1.719 176.466 174.700 0.078 0.000 1.039 379 T CA 0.869 63.027 62.100 0.096 0.000 1.142 379 T CB -0.232 68.676 68.868 0.068 0.000 0.866 379 T HN 0.090 nan 8.240 nan 0.000 0.444 380 L N 0.388 121.633 121.223 0.036 0.000 2.046 380 L HA 0.059 4.399 4.340 0.000 0.000 0.208 380 L C 1.908 178.675 176.870 -0.171 0.000 1.077 380 L CA 1.622 56.413 54.840 -0.083 0.000 0.747 380 L CB -0.834 41.151 42.059 -0.123 0.000 0.896 380 L HN 0.202 nan 8.230 nan 0.000 0.432 381 F N -0.452 119.454 119.950 -0.075 0.000 2.171 381 F HA -0.170 4.358 4.527 0.001 0.000 0.300 381 F C 2.735 178.520 175.800 -0.025 0.000 1.090 381 F CA 1.595 59.533 58.000 -0.103 0.000 1.293 381 F CB -0.393 38.510 39.000 -0.161 0.000 1.013 381 F HN 0.062 nan 8.300 nan 0.000 0.486 382 R N 0.648 121.248 120.500 0.168 0.000 2.083 382 R HA -0.181 4.159 4.340 0.000 0.000 0.237 382 R C 1.832 178.245 176.300 0.188 0.000 1.137 382 R CA 2.103 58.297 56.100 0.157 0.000 0.951 382 R CB -0.442 29.946 30.300 0.146 0.000 0.851 382 R HN 0.149 nan 8.270 nan 0.000 0.434 383 D N 0.352 120.856 120.400 0.173 0.000 2.133 383 D HA -0.223 4.417 4.640 0.000 0.000 0.195 383 D C 1.987 178.359 176.300 0.120 0.000 0.997 383 D CA 1.697 55.806 54.000 0.182 0.000 0.840 383 D CB -0.205 40.549 40.800 -0.076 0.000 0.947 383 D HN 0.376 nan 8.370 nan 0.000 0.452 384 M N 0.236 119.830 119.600 -0.009 0.000 2.099 384 M HA -0.134 4.346 4.480 0.000 0.000 0.262 384 M C 2.285 178.607 176.300 0.037 0.000 1.067 384 M CA 1.157 56.443 55.300 -0.024 0.000 1.124 384 M CB -0.237 32.255 32.600 -0.181 0.000 1.353 384 M HN -0.097 nan 8.290 nan 0.000 0.410 385 K N 0.800 121.241 120.400 0.069 0.000 2.032 385 K HA -0.185 4.135 4.320 0.000 0.000 0.209 385 K C 1.666 178.333 176.600 0.111 0.000 1.048 385 K CA 1.613 57.949 56.287 0.082 0.000 0.927 385 K CB -0.015 32.543 32.500 0.096 0.000 0.712 385 K HN 0.365 nan 8.250 nan 0.000 0.441 386 E N -0.611 119.697 120.200 0.179 0.000 2.268 386 E HA -0.116 4.234 4.350 0.000 0.000 0.195 386 E C 1.185 177.924 176.600 0.232 0.000 0.995 386 E CA 0.640 57.190 56.400 0.249 0.000 0.836 386 E CB 0.109 30.044 29.700 0.391 0.000 0.763 386 E HN 0.334 nan 8.360 nan 0.000 0.491 387 A N 0.807 123.698 122.820 0.118 0.000 2.337 387 A HA 0.056 4.376 4.320 0.000 0.000 0.227 387 A C 0.169 177.812 177.584 0.099 0.000 1.259 387 A CA 0.107 52.125 52.037 -0.032 0.000 0.870 387 A CB -0.464 18.292 19.000 -0.406 0.000 0.927 387 A HN 0.363 nan 8.150 nan 0.000 0.497 388 N N -1.904 116.861 118.700 0.107 0.000 2.800 388 N HA -0.162 4.578 4.740 0.000 0.000 0.250 388 N C -0.145 175.388 175.510 0.038 0.000 1.078 388 N CA 0.916 54.024 53.050 0.096 0.000 0.804 388 N CB -1.526 37.046 38.487 0.142 0.000 1.135 388 N HN 0.613 nan 8.380 nan 0.000 0.565 389 M N 0.680 120.298 119.600 0.030 0.000 2.240 389 M HA 0.146 4.626 4.480 0.000 0.000 0.333 389 M C 1.226 177.439 176.300 -0.145 0.000 1.110 389 M CA 0.373 55.620 55.300 -0.090 0.000 1.173 389 M CB 0.390 32.966 32.600 -0.039 0.000 1.458 389 M HN 0.267 nan 8.290 nan 0.000 0.458 390 N N 1.318 119.886 118.700 -0.220 0.000 2.160 390 N HA 0.271 5.011 4.740 0.000 0.000 0.226 390 N C -0.683 174.726 175.510 -0.168 0.000 1.256 390 N CA -0.220 52.707 53.050 -0.205 0.000 0.890 390 N CB 0.728 39.035 38.487 -0.300 0.000 1.116 390 N HN 0.704 nan 8.380 nan 0.000 0.517 391 M N 0.422 119.923 119.600 -0.164 0.000 2.421 391 M HA 0.501 4.981 4.480 0.000 0.000 0.287 391 M C -2.109 174.133 176.300 -0.096 0.000 1.183 391 M CA -0.894 54.332 55.300 -0.125 0.000 0.916 391 M CB 2.527 35.026 32.600 -0.167 0.000 1.701 391 M HN -0.161 nan 8.290 nan 0.000 0.470 392 V N 4.107 123.999 119.914 -0.036 0.000 2.656 392 V HA 0.679 4.800 4.120 0.000 0.000 0.307 392 V C -1.326 174.784 176.094 0.027 0.000 1.051 392 V CA -0.632 61.647 62.300 -0.036 0.000 0.893 392 V CB 2.237 34.037 31.823 -0.039 0.000 0.999 392 V HN 0.975 nan 8.190 nan 0.000 0.426 393 R N 5.834 126.309 120.500 -0.043 0.000 2.255 393 R HA 0.562 4.903 4.340 0.000 0.000 0.326 393 R C -0.913 175.398 176.300 0.019 0.000 0.986 393 R CA -0.494 55.563 56.100 -0.072 0.000 0.847 393 R CB 0.955 31.009 30.300 -0.410 0.000 1.111 393 R HN 0.770 nan 8.270 nan 0.000 0.452 394 I N 6.004 126.613 120.570 0.065 0.000 2.256 394 I HA 0.114 4.284 4.170 0.000 0.000 0.294 394 I C -0.131 176.030 176.117 0.073 0.000 1.127 394 I CA -0.485 60.847 61.300 0.054 0.000 1.247 394 I CB 0.152 38.093 38.000 -0.097 0.000 1.460 394 I HN 0.623 nan 8.210 nan 0.000 0.511 395 W N 6.057 127.286 121.300 -0.118 0.000 2.181 395 W HA 0.288 4.948 4.660 0.000 0.000 0.335 395 W C 1.248 177.688 176.519 -0.133 0.000 1.310 395 W CA -0.444 56.833 57.345 -0.114 0.000 1.226 395 W CB 0.922 30.299 29.460 -0.138 0.000 1.155 395 W HN 0.535 nan 8.180 nan 0.000 0.565 396 G N 3.069 111.337 108.800 -0.886 0.000 3.155 396 G HA2 0.129 4.089 3.960 0.000 0.000 0.213 396 G HA3 0.129 4.089 3.960 0.000 0.000 0.213 396 G C 0.804 175.052 174.900 -1.085 0.000 1.196 396 G CA 0.236 44.879 45.100 -0.763 0.000 0.846 396 G HN 0.862 nan 8.290 nan 0.000 0.516 397 G N -0.676 106.895 108.800 -2.049 0.000 3.277 397 G HA2 0.446 4.406 3.960 0.000 0.000 0.243 397 G HA3 0.446 4.406 3.960 0.000 0.000 0.243 397 G C 0.787 175.293 174.900 -0.657 0.000 1.107 397 G CA 0.606 44.831 45.100 -1.457 0.000 0.771 397 G HN 0.466 nan 8.290 nan 0.000 0.544 398 G N 0.343 108.841 108.800 -0.503 0.000 3.387 398 G HA2 0.501 4.461 3.960 0.000 0.000 0.195 398 G HA3 0.501 4.461 3.960 0.000 0.000 0.195 398 G C 0.222 175.040 174.900 -0.136 0.000 1.853 398 G CA 0.681 45.632 45.100 -0.248 0.000 0.879 398 G HN 0.637 nan 8.290 nan 0.000 0.651 399 T N -2.933 111.555 114.554 -0.109 0.000 2.906 399 T HA 0.554 4.904 4.350 0.000 0.000 0.295 399 T C -1.199 173.418 174.700 -0.137 0.000 1.075 399 T CA -0.738 61.372 62.100 0.015 0.000 1.005 399 T CB 1.554 70.648 68.868 0.377 0.000 1.136 399 T HN 0.263 nan 8.240 nan 0.000 0.498 400 Y N 1.664 121.989 120.300 0.041 0.000 2.605 400 Y HA 0.284 4.834 4.550 0.000 0.000 0.336 400 Y C 1.435 177.488 175.900 0.255 0.000 1.111 400 Y CA -0.323 57.837 58.100 0.101 0.000 1.422 400 Y CB 0.168 38.682 38.460 0.091 0.000 1.193 400 Y HN 0.534 nan 8.280 nan 0.000 0.526 401 E N 2.622 123.027 120.200 0.342 0.000 2.391 401 E HA -0.013 4.337 4.350 0.000 0.000 0.255 401 E C 0.028 176.887 176.600 0.432 0.000 1.187 401 E CA -0.288 56.274 56.400 0.270 0.000 0.941 401 E CB 0.436 29.945 29.700 -0.317 0.000 1.010 401 E HN 0.742 nan 8.360 nan 0.000 0.458 402 N N 0.946 119.825 118.700 0.298 0.000 2.317 402 N HA -0.029 4.711 4.740 0.000 0.000 0.245 402 N C 0.506 176.145 175.510 0.215 0.000 1.294 402 N CA -0.169 52.982 53.050 0.169 0.000 0.924 402 N CB 0.223 38.710 38.487 -0.000 0.000 1.186 402 N HN 0.206 nan 8.380 nan 0.000 0.495 403 N N -0.478 118.292 118.700 0.116 0.000 2.223 403 N HA -0.116 4.624 4.740 0.000 0.000 0.185 403 N C 1.446 177.007 175.510 0.085 0.000 1.016 403 N CA 0.518 53.659 53.050 0.153 0.000 0.863 403 N CB -0.530 38.021 38.487 0.106 0.000 0.983 403 N HN 0.552 nan 8.380 nan 0.000 0.429 404 L N 0.521 121.707 121.223 -0.062 0.000 2.013 404 L HA -0.123 4.217 4.340 0.000 0.000 0.212 404 L C 2.059 178.782 176.870 -0.246 0.000 1.073 404 L CA 1.420 56.147 54.840 -0.188 0.000 0.753 404 L CB -1.027 40.819 42.059 -0.355 0.000 0.890 404 L HN 0.071 nan 8.230 nan 0.000 0.432 405 F N -0.642 119.099 119.950 -0.348 0.000 2.065 405 F HA -0.353 4.174 4.527 0.000 0.000 0.298 405 F C 2.113 177.599 175.800 -0.523 0.000 1.112 405 F CA 2.178 60.002 58.000 -0.294 0.000 1.212 405 F CB -0.494 38.361 39.000 -0.242 0.000 0.975 405 F HN 0.186 nan 8.300 nan 0.000 0.476 406 Y N 0.156 120.384 120.300 -0.120 0.000 2.314 406 Y HA -0.177 4.373 4.550 0.000 0.000 0.293 406 Y C 2.326 177.931 175.900 -0.492 0.000 1.129 406 Y CA 1.036 58.856 58.100 -0.467 0.000 1.201 406 Y CB -0.767 37.025 38.460 -1.113 0.000 0.999 406 Y HN 0.068 nan 8.280 nan 0.000 0.541 407 D N 0.272 120.563 120.400 -0.182 0.000 2.097 407 D HA -0.154 4.486 4.640 0.000 0.000 0.195 407 D C 2.164 178.317 176.300 -0.244 0.000 0.989 407 D CA 1.241 55.205 54.000 -0.060 0.000 0.827 407 D CB -0.394 40.396 40.800 -0.016 0.000 0.966 407 D HN 0.303 nan 8.370 nan 0.000 0.456 408 L N 0.620 121.509 121.223 -0.556 0.000 2.056 408 L HA -0.119 4.221 4.340 0.000 0.000 0.207 408 L C 2.559 178.824 176.870 -1.007 0.000 1.078 408 L CA 1.048 55.344 54.840 -0.908 0.000 0.749 408 L CB -0.415 40.788 42.059 -1.427 0.000 0.901 408 L HN -0.036 nan 8.230 nan 0.000 0.433 409 A N 0.076 122.270 122.820 -1.043 0.000 1.908 409 A HA -0.253 4.067 4.320 0.000 0.000 0.218 409 A C 1.924 179.513 177.584 0.009 0.000 1.181 409 A CA 2.107 53.952 52.037 -0.320 0.000 0.627 409 A CB -0.582 18.341 19.000 -0.128 0.000 0.818 409 A HN 0.364 nan 8.150 nan 0.000 0.445 410 D N -0.061 120.354 120.400 0.026 0.000 2.092 410 D HA -0.189 4.451 4.640 0.000 0.000 0.193 410 D C 1.970 178.502 176.300 0.387 0.000 0.994 410 D CA 1.748 55.906 54.000 0.264 0.000 0.828 410 D CB -0.523 40.382 40.800 0.175 0.000 0.963 410 D HN 0.879 nan 8.370 nan 0.000 0.450 411 E N -0.112 120.164 120.200 0.127 0.000 2.482 411 E HA -0.047 4.303 4.350 0.000 0.000 0.196 411 E C 0.949 177.562 176.600 0.022 0.000 1.047 411 E CA 0.549 56.996 56.400 0.079 0.000 0.869 411 E CB -0.079 29.629 29.700 0.013 0.000 0.836 411 E HN 0.154 nan 8.360 nan 0.000 0.520 412 N N 0.450 119.158 118.700 0.012 0.000 2.187 412 N HA 0.073 4.813 4.740 0.000 0.000 0.212 412 N C 0.495 175.995 175.510 -0.016 0.000 1.152 412 N CA 0.642 53.697 53.050 0.009 0.000 0.872 412 N CB 1.420 39.944 38.487 0.062 0.000 1.025 412 N HN 0.358 nan 8.380 nan 0.000 0.514 413 G N 1.783 110.570 108.800 -0.022 0.000 2.221 413 G HA2 -0.264 3.696 3.960 0.000 0.000 0.265 413 G HA3 -0.264 3.696 3.960 0.000 0.000 0.265 413 G C -0.090 174.795 174.900 -0.026 0.000 1.041 413 G CA -0.014 44.929 45.100 -0.263 0.000 0.807 413 G HN 0.326 nan 8.290 nan 0.000 0.502 414 I N 0.309 120.987 120.570 0.180 0.000 2.330 414 I HA 0.361 4.531 4.170 0.000 0.000 0.289 414 I C 0.603 176.850 176.117 0.216 0.000 1.001 414 I CA -1.168 60.215 61.300 0.138 0.000 1.193 414 I CB 1.183 39.257 38.000 0.124 0.000 1.345 414 I HN -0.088 nan 8.210 nan 0.000 0.461 415 L N 7.300 128.615 121.223 0.153 0.000 2.456 415 L HA 0.146 4.486 4.340 0.000 0.000 0.272 415 L C -0.011 176.896 176.870 0.062 0.000 1.189 415 L CA 0.439 55.342 54.840 0.105 0.000 0.846 415 L CB 0.712 42.755 42.059 -0.026 0.000 1.111 415 L HN 0.282 nan 8.230 nan 0.000 0.475 416 V N 2.709 122.671 119.914 0.079 0.000 2.417 416 V HA 0.256 4.376 4.120 0.000 0.000 0.291 416 V C -0.719 175.458 176.094 0.139 0.000 1.024 416 V CA -0.734 61.638 62.300 0.119 0.000 0.861 416 V CB 1.567 33.485 31.823 0.158 0.000 0.985 416 V HN 0.714 nan 8.190 nan 0.000 0.436 417 W N 5.914 127.201 121.300 -0.021 0.000 2.308 417 W HA 0.534 5.194 4.660 0.000 0.000 0.311 417 W C -0.475 176.021 176.519 -0.038 0.000 1.088 417 W CA -1.103 56.253 57.345 0.017 0.000 1.309 417 W CB 1.367 30.886 29.460 0.099 0.000 1.229 417 W HN 0.622 nan 8.180 nan 0.000 0.427 418 Q N 4.715 124.589 119.800 0.123 0.000 2.368 418 Q HA 0.214 4.555 4.340 0.000 0.000 0.256 418 Q C -0.854 175.220 176.000 0.125 0.000 0.980 418 Q CA -0.054 55.740 55.803 -0.016 0.000 0.887 418 Q CB 0.638 29.068 28.738 -0.513 0.000 1.221 418 Q HN 0.285 nan 8.270 nan 0.000 0.458 419 D N 2.996 123.518 120.400 0.204 0.000 2.341 419 D HA 0.169 4.809 4.640 0.000 0.000 0.245 419 D C -0.377 175.954 176.300 0.052 0.000 1.106 419 D CA 0.005 54.130 54.000 0.209 0.000 0.905 419 D CB 0.439 41.305 40.800 0.110 0.000 1.202 419 D HN 0.419 nan 8.370 nan 0.000 0.426 420 F N 0.731 120.895 119.950 0.357 0.000 2.490 420 F HA 0.062 4.589 4.527 0.000 0.000 0.336 420 F C 1.505 177.239 175.800 -0.109 0.000 1.178 420 F CA -0.214 57.976 58.000 0.316 0.000 1.301 420 F CB 0.373 39.740 39.000 0.612 0.000 1.175 420 F HN 0.052 nan 8.300 nan 0.000 0.593 421 M N 3.896 123.239 119.600 -0.429 0.000 3.690 421 M HA 0.183 4.664 4.480 0.000 0.000 0.209 421 M C -1.455 174.300 176.300 -0.909 0.000 1.403 421 M CA 0.238 55.042 55.300 -0.827 0.000 1.621 421 M CB -1.715 30.110 32.600 -1.291 0.000 1.056 421 M HN 0.272 nan 8.290 nan 0.000 0.593 422 F N 0.500 120.390 119.950 -0.101 0.000 2.539 422 F HA 0.714 5.241 4.527 0.000 0.000 0.318 422 F C -0.062 175.803 175.800 0.108 0.000 1.135 422 F CA -1.005 56.979 58.000 -0.026 0.000 0.915 422 F CB 1.767 40.786 39.000 0.031 0.000 1.176 422 F HN 0.303 nan 8.300 nan 0.000 0.440 423 A N 1.391 124.490 122.820 0.465 0.000 2.429 423 A HA 0.593 4.913 4.320 0.000 0.000 0.289 423 A C 0.038 177.954 177.584 0.553 0.000 1.043 423 A CA -0.707 51.541 52.037 0.353 0.000 0.722 423 A CB 0.680 19.678 19.000 -0.003 0.000 1.243 423 A HN 1.075 nan 8.150 nan 0.000 0.415 424 C N 0.233 119.817 119.300 0.473 0.000 4.784 424 C HA -0.121 4.339 4.460 0.000 0.000 0.261 424 C C 0.921 176.133 174.990 0.371 0.000 1.492 424 C CA 1.613 60.914 59.018 0.472 0.000 1.622 424 C CB -2.255 25.838 27.740 0.588 0.000 1.855 424 C HN 1.546 nan 8.230 nan 0.000 0.662 425 T N 0.410 115.118 114.554 0.257 0.000 2.903 425 T HA 0.618 4.968 4.350 0.000 0.000 0.299 425 T C -2.760 172.003 174.700 0.105 0.000 1.093 425 T CA -1.153 61.021 62.100 0.123 0.000 1.002 425 T CB 2.365 71.157 68.868 -0.127 0.000 1.127 425 T HN 0.019 nan 8.240 nan 0.000 0.488 426 P HA 0.302 nan 4.420 nan 0.000 0.272 426 P C -1.318 175.984 177.300 0.002 0.000 1.240 426 P CA -0.124 63.133 63.100 0.262 0.000 0.791 426 P CB 0.468 32.325 31.700 0.261 0.000 0.978 427 Y N -0.979 119.407 120.300 0.145 0.000 2.602 427 Y HA 0.426 4.976 4.550 0.000 0.000 0.342 427 Y C -1.734 174.026 175.900 -0.233 0.000 1.029 427 Y CA -2.292 55.693 58.100 -0.191 0.000 1.080 427 Y CB 0.735 39.235 38.460 0.066 0.000 1.284 427 Y HN 0.261 nan 8.280 nan 0.000 0.485 428 P HA 0.010 nan 4.420 nan 0.000 0.270 428 P C -0.186 177.077 177.300 -0.062 0.000 1.221 428 P CA 0.385 63.315 63.100 -0.284 0.000 0.788 428 P CB 0.501 31.797 31.700 -0.673 0.000 0.904 429 S N -2.412 113.341 115.700 0.089 0.000 3.053 429 S HA 0.083 4.554 4.470 0.000 0.000 0.255 429 S C 0.019 174.701 174.600 0.137 0.000 0.976 429 S CA -0.678 57.606 58.200 0.141 0.000 1.159 429 S CB -0.651 62.592 63.200 0.071 0.000 1.110 429 S HN 0.520 nan 8.310 nan 0.000 0.633 430 D N 1.817 122.312 120.400 0.158 0.000 2.368 430 D HA 0.136 4.776 4.640 0.000 0.000 0.240 430 D C -1.910 174.474 176.300 0.140 0.000 1.169 430 D CA -0.969 53.111 54.000 0.133 0.000 0.906 430 D CB 0.674 41.553 40.800 0.131 0.000 1.187 430 D HN -0.037 nan 8.370 nan 0.000 0.435 431 P HA -0.208 nan 4.420 nan 0.000 0.215 431 P C 1.681 179.025 177.300 0.073 0.000 1.157 431 P CA 2.499 65.633 63.100 0.057 0.000 0.874 431 P CB -0.179 31.542 31.700 0.035 0.000 0.790 432 T N -3.520 111.095 114.554 0.102 0.000 2.777 432 T HA -0.187 4.163 4.350 0.000 0.000 0.266 432 T C 1.723 176.514 174.700 0.152 0.000 1.040 432 T CA 0.806 62.970 62.100 0.107 0.000 1.141 432 T CB -1.505 67.428 68.868 0.108 0.000 0.868 432 T HN -0.061 nan 8.240 nan 0.000 0.444 433 F N 2.182 122.170 119.950 0.064 0.000 2.126 433 F HA 0.084 4.611 4.527 0.000 0.000 0.299 433 F C 2.031 177.851 175.800 0.033 0.000 1.096 433 F CA 0.975 59.022 58.000 0.079 0.000 1.255 433 F CB -0.496 38.564 39.000 0.100 0.000 0.997 433 F HN 0.079 nan 8.300 nan 0.000 0.479 434 L N -0.356 120.893 121.223 0.043 0.000 2.201 434 L HA -0.192 4.148 4.340 0.000 0.000 0.212 434 L C 2.338 179.115 176.870 -0.155 0.000 1.105 434 L CA 1.182 55.951 54.840 -0.118 0.000 0.775 434 L CB -0.573 41.449 42.059 -0.061 0.000 0.913 434 L HN 0.067 nan 8.230 nan 0.000 0.440 435 K N 0.478 120.828 120.400 -0.084 0.000 2.062 435 K HA -0.098 4.222 4.320 0.000 0.000 0.205 435 K C 2.160 178.705 176.600 -0.092 0.000 1.051 435 K CA 1.166 57.411 56.287 -0.070 0.000 0.941 435 K CB 0.031 32.519 32.500 -0.020 0.000 0.719 435 K HN 0.117 nan 8.250 nan 0.000 0.440 436 R N -0.451 119.984 120.500 -0.109 0.000 2.081 436 R HA -0.074 4.266 4.340 0.000 0.000 0.235 436 R C 2.130 178.330 176.300 -0.168 0.000 1.131 436 R CA 1.444 57.476 56.100 -0.114 0.000 0.960 436 R CB -0.516 29.726 30.300 -0.098 0.000 0.856 436 R HN -0.005 nan 8.270 nan 0.000 0.436 437 V N 1.245 120.983 119.914 -0.294 0.000 2.343 437 V HA -0.240 3.880 4.120 0.000 0.000 0.247 437 V C 2.313 178.298 176.094 -0.182 0.000 1.051 437 V CA 1.906 64.067 62.300 -0.230 0.000 1.036 437 V CB -0.498 31.130 31.823 -0.325 0.000 0.654 437 V HN 0.385 nan 8.190 nan 0.000 0.451 438 E N 0.291 120.374 120.200 -0.194 0.000 2.077 438 E HA -0.242 4.108 4.350 0.000 0.000 0.193 438 E C 2.265 178.774 176.600 -0.153 0.000 0.989 438 E CA 1.368 57.661 56.400 -0.178 0.000 0.800 438 E CB -0.214 29.401 29.700 -0.142 0.000 0.746 438 E HN 0.569 nan 8.360 nan 0.000 0.452 439 A N 1.749 124.499 122.820 -0.118 0.000 1.883 439 A HA -0.290 4.030 4.320 0.000 0.000 0.217 439 A C 2.100 179.623 177.584 -0.101 0.000 1.186 439 A CA 2.013 53.988 52.037 -0.102 0.000 0.624 439 A CB -0.811 18.144 19.000 -0.074 0.000 0.822 439 A HN 0.577 nan 8.150 nan 0.000 0.444 440 E N -0.004 120.151 120.200 -0.076 0.000 2.106 440 E HA -0.044 4.306 4.350 0.000 0.000 0.192 440 E C 2.010 178.537 176.600 -0.123 0.000 0.984 440 E CA 1.145 57.520 56.400 -0.042 0.000 0.806 440 E CB -0.365 29.381 29.700 0.076 0.000 0.750 440 E HN 0.468 nan 8.360 nan 0.000 0.458 441 A N 1.382 124.124 122.820 -0.130 0.000 1.855 441 A HA -0.097 4.223 4.320 0.000 0.000 0.215 441 A C 2.515 179.923 177.584 -0.294 0.000 1.191 441 A CA 1.566 53.523 52.037 -0.132 0.000 0.613 441 A CB -0.875 17.972 19.000 -0.255 0.000 0.829 441 A HN 0.200 nan 8.150 nan 0.000 0.442 442 V N -1.149 118.549 119.914 -0.361 0.000 2.287 442 V HA -0.315 3.805 4.120 0.000 0.000 0.248 442 V C 2.379 178.189 176.094 -0.473 0.000 1.053 442 V CA 2.311 64.240 62.300 -0.617 0.000 1.027 442 V CB -1.141 30.319 31.823 -0.605 0.000 0.646 442 V HN 0.704 nan 8.190 nan 0.000 0.447 443 Y N 1.770 121.846 120.300 -0.373 0.000 2.097 443 Y HA -0.258 4.292 4.550 0.000 0.000 0.282 443 Y C 2.554 178.284 175.900 -0.284 0.000 1.152 443 Y CA 2.263 60.184 58.100 -0.297 0.000 1.136 443 Y CB -0.420 37.893 38.460 -0.245 0.000 0.975 443 Y HN 0.272 nan 8.280 nan 0.000 0.498 444 N N 0.242 118.726 118.700 -0.361 0.000 2.331 444 N HA -0.111 4.629 4.740 0.000 0.000 0.180 444 N C 1.943 177.284 175.510 -0.283 0.000 1.019 444 N CA 1.482 54.285 53.050 -0.412 0.000 0.881 444 N CB -0.122 38.047 38.487 -0.530 0.000 0.972 444 N HN 0.441 nan 8.380 nan 0.000 0.435 445 I N 1.442 121.809 120.570 -0.339 0.000 2.142 445 I HA -0.241 3.929 4.170 0.000 0.000 0.240 445 I C 2.433 178.391 176.117 -0.266 0.000 1.078 445 I CA 1.182 62.315 61.300 -0.278 0.000 1.343 445 I CB -0.105 37.602 38.000 -0.490 0.000 1.046 445 I HN 0.028 nan 8.210 nan 0.000 0.405 446 R N 0.064 120.319 120.500 -0.410 0.000 2.096 446 R HA -0.162 4.178 4.340 0.000 0.000 0.235 446 R C 2.419 178.502 176.300 -0.362 0.000 1.127 446 R CA 1.125 56.993 56.100 -0.388 0.000 0.968 446 R CB -0.357 29.718 30.300 -0.375 0.000 0.861 446 R HN 0.309 nan 8.270 nan 0.000 0.440 447 R N 0.810 121.041 120.500 -0.449 0.000 2.115 447 R HA -0.058 4.282 4.340 0.000 0.000 0.230 447 R C 1.605 177.744 176.300 -0.269 0.000 1.111 447 R CA 1.143 57.005 56.100 -0.397 0.000 0.976 447 R CB 0.090 30.046 30.300 -0.572 0.000 0.870 447 R HN 0.202 nan 8.270 nan 0.000 0.445 448 L N 0.277 121.360 121.223 -0.234 0.000 2.638 448 L HA 0.156 4.496 4.340 0.000 0.000 0.232 448 L C 1.993 178.788 176.870 -0.125 0.000 1.099 448 L CA -0.045 54.688 54.840 -0.179 0.000 0.883 448 L CB 0.065 41.920 42.059 -0.339 0.000 1.136 448 L HN 0.163 nan 8.230 nan 0.000 0.492 449 R N -0.488 119.910 120.500 -0.168 0.000 2.316 449 R HA 0.002 4.342 4.340 0.000 0.000 0.202 449 R C 0.837 177.024 176.300 -0.190 0.000 1.029 449 R CA 0.717 56.737 56.100 -0.133 0.000 1.018 449 R CB -0.367 29.801 30.300 -0.220 0.000 0.888 449 R HN 0.336 nan 8.270 nan 0.000 0.471 450 N N 0.524 118.991 118.700 -0.388 0.000 2.336 450 N HA -0.006 4.734 4.740 0.000 0.000 0.189 450 N C -0.450 174.750 175.510 -0.517 0.000 1.113 450 N CA 0.105 52.845 53.050 -0.516 0.000 0.858 450 N CB 0.177 38.090 38.487 -0.957 0.000 0.970 450 N HN 0.297 nan 8.380 nan 0.000 0.471 451 H N 0.853 119.766 119.070 -0.262 0.000 2.819 451 H HA 0.147 4.703 4.556 0.000 0.000 0.303 451 H C 1.157 176.299 175.328 -0.309 0.000 1.058 451 H CA -0.169 55.745 56.048 -0.223 0.000 1.471 451 H CB 1.337 31.025 29.762 -0.123 0.000 1.480 451 H HN 0.092 nan 8.280 nan 0.000 0.517 452 A N 3.612 126.223 122.820 -0.348 0.000 1.958 452 A HA -0.266 4.054 4.320 0.000 0.000 0.221 452 A C 2.414 179.486 177.584 -0.852 0.000 1.178 452 A CA 2.253 53.826 52.037 -0.773 0.000 0.642 452 A CB -0.587 17.604 19.000 -1.348 0.000 0.816 452 A HN 0.746 nan 8.150 nan 0.000 0.453 453 S N -0.977 114.435 115.700 -0.480 0.000 2.423 453 S HA 0.037 4.507 4.470 0.000 0.000 0.231 453 S C 0.754 175.299 174.600 -0.092 0.000 1.014 453 S CA 0.559 58.632 58.200 -0.212 0.000 0.965 453 S CB -0.737 62.494 63.200 0.052 0.000 0.785 453 S HN 0.468 nan 8.310 nan 0.000 0.495 454 L N 1.932 123.109 121.223 -0.077 0.000 2.562 454 L HA 0.460 4.801 4.340 0.000 0.000 0.271 454 L C 0.889 177.695 176.870 -0.106 0.000 1.167 454 L CA 0.306 55.089 54.840 -0.096 0.000 0.917 454 L CB 0.373 42.335 42.059 -0.162 0.000 1.187 454 L HN 0.219 nan 8.230 nan 0.000 0.482 455 A N 6.514 129.294 122.820 -0.066 0.000 2.108 455 A HA 0.473 4.794 4.320 0.000 0.000 0.206 455 A C 0.420 178.032 177.584 0.046 0.000 1.212 455 A CA 0.777 52.837 52.037 0.039 0.000 0.843 455 A CB 0.035 19.116 19.000 0.136 0.000 0.902 455 A HN 0.798 nan 8.150 nan 0.000 0.477 456 M N -4.456 115.087 119.600 -0.096 0.000 2.853 456 M HA 0.572 5.052 4.480 0.000 0.000 0.273 456 M C -2.436 173.686 176.300 -0.298 0.000 1.128 456 M CA -0.660 54.592 55.300 -0.081 0.000 0.814 456 M CB 0.734 33.334 32.600 -0.001 0.000 1.667 456 M HN 0.042 nan 8.290 nan 0.000 0.519 457 W N 1.017 122.303 121.300 -0.022 0.000 2.666 457 W HA 0.775 5.435 4.660 -0.000 0.000 0.334 457 W C -0.999 175.475 176.519 -0.075 0.000 1.051 457 W CA -0.409 56.937 57.345 0.001 0.000 1.224 457 W CB 2.037 31.625 29.460 0.214 0.000 1.405 457 W HN 0.880 nan 8.180 nan 0.000 0.513 458 C N 2.438 121.902 119.300 0.274 0.000 2.396 458 C HA 0.617 5.077 4.460 0.000 0.000 0.321 458 C C 1.526 176.758 174.990 0.405 0.000 1.233 458 C CA 0.034 59.136 59.018 0.140 0.000 1.440 458 C CB 0.396 28.355 27.740 0.365 0.000 2.110 458 C HN 0.993 nan 8.230 nan 0.000 0.473 459 G N 4.153 113.070 108.800 0.195 0.000 2.442 459 G HA2 0.018 3.978 3.960 0.000 0.000 0.219 459 G HA3 0.018 3.978 3.960 0.000 0.000 0.219 459 G C 0.274 175.472 174.900 0.497 0.000 1.141 459 G CA 1.454 46.925 45.100 0.618 0.000 0.763 459 G HN 1.104 nan 8.290 nan 0.000 0.554 460 N N -2.599 116.210 118.700 0.181 0.000 3.227 460 N HA 0.195 4.935 4.740 0.000 0.000 0.241 460 N C -1.596 173.993 175.510 0.133 0.000 1.480 460 N CA -0.916 52.207 53.050 0.121 0.000 0.886 460 N CB 0.565 38.877 38.487 -0.291 0.000 1.406 460 N HN 0.001 nan 8.380 nan 0.000 0.514 461 N N -0.071 118.713 118.700 0.140 0.000 2.426 461 N HA 0.264 5.004 4.740 0.000 0.000 0.257 461 N C -0.852 174.809 175.510 0.253 0.000 1.002 461 N CA -0.164 53.028 53.050 0.236 0.000 0.942 461 N CB 0.409 39.023 38.487 0.211 0.000 1.112 461 N HN 0.760 nan 8.380 nan 0.000 0.499 462 E N 1.441 121.751 120.200 0.183 0.000 3.496 462 E HA -0.270 4.080 4.350 0.000 0.000 0.300 462 E C 0.548 177.089 176.600 -0.097 0.000 0.877 462 E CA 0.632 57.075 56.400 0.072 0.000 1.050 462 E CB -1.237 28.634 29.700 0.285 0.000 1.532 462 E HN 0.681 nan 8.360 nan 0.000 0.447 463 I N -0.225 120.344 120.570 -0.001 0.000 2.333 463 I HA -0.189 3.981 4.170 0.000 0.000 0.246 463 I C 2.382 178.428 176.117 -0.118 0.000 1.106 463 I CA 0.843 62.159 61.300 0.026 0.000 1.411 463 I CB -0.175 37.936 38.000 0.184 0.000 1.082 463 I HN 0.131 nan 8.210 nan 0.000 0.420 464 L N 1.169 122.293 121.223 -0.165 0.000 2.056 464 L HA -0.185 4.155 4.340 0.000 0.000 0.207 464 L C 2.454 179.123 176.870 -0.335 0.000 1.078 464 L CA 1.817 56.418 54.840 -0.398 0.000 0.749 464 L CB -0.613 41.259 42.059 -0.311 0.000 0.901 464 L HN 0.214 nan 8.230 nan 0.000 0.433 465 E N -0.499 119.543 120.200 -0.264 0.000 2.097 465 E HA -0.287 4.063 4.350 0.000 0.000 0.196 465 E C 2.080 178.210 176.600 -0.783 0.000 1.000 465 E CA 1.367 57.594 56.400 -0.289 0.000 0.804 465 E CB -0.191 29.410 29.700 -0.166 0.000 0.740 465 E HN 0.614 nan 8.360 nan 0.000 0.454 466 A N 1.007 123.136 122.820 -1.152 0.000 1.877 466 A HA -0.169 4.151 4.320 0.000 0.000 0.216 466 A C 2.238 179.221 177.584 -1.002 0.000 1.186 466 A CA 1.330 52.491 52.037 -1.460 0.000 0.620 466 A CB -0.763 17.750 19.000 -0.812 0.000 0.822 466 A HN 0.340 nan 8.150 nan 0.000 0.443 467 L N -1.157 119.762 121.223 -0.506 0.000 2.079 467 L HA -0.218 4.122 4.340 0.000 0.000 0.210 467 L C 2.569 179.265 176.870 -0.290 0.000 1.081 467 L CA 1.840 56.535 54.840 -0.242 0.000 0.752 467 L CB -0.302 41.653 42.059 -0.173 0.000 0.896 467 L HN 0.382 nan 8.230 nan 0.000 0.433 468 K N -1.706 118.394 120.400 -0.501 0.000 2.242 468 K HA -0.012 4.309 4.320 0.000 0.000 0.200 468 K C 0.957 177.080 176.600 -0.795 0.000 1.050 468 K CA 0.819 56.681 56.287 -0.709 0.000 0.981 468 K CB 0.324 32.175 32.500 -1.083 0.000 0.795 468 K HN 0.174 nan 8.250 nan 0.000 0.477 469 Y N -2.633 117.512 120.300 -0.259 0.000 2.563 469 Y HA 0.128 4.678 4.550 0.000 0.000 0.250 469 Y C 0.310 176.269 175.900 0.098 0.000 1.126 469 Y CA -0.740 57.303 58.100 -0.096 0.000 1.231 469 Y CB 0.603 39.036 38.460 -0.046 0.000 1.288 469 Y HN 0.070 nan 8.280 nan 0.000 0.537 470 W N 0.422 121.562 121.300 -0.266 0.000 3.102 470 W HA 0.567 5.227 4.660 0.000 0.000 0.401 470 W C 1.165 177.572 176.519 -0.187 0.000 1.070 470 W CA -0.359 56.838 57.345 -0.246 0.000 1.921 470 W CB -0.111 29.181 29.460 -0.281 0.000 1.118 470 W HN 0.151 nan 8.180 nan 0.000 0.647 471 G N 0.370 109.181 108.800 0.018 0.000 2.182 471 G HA2 -0.342 3.618 3.960 0.000 0.000 0.248 471 G HA3 -0.342 3.618 3.960 0.000 0.000 0.248 471 G C 0.596 175.633 174.900 0.228 0.000 1.042 471 G CA 0.140 45.288 45.100 0.080 0.000 0.775 471 G HN 0.083 nan 8.290 nan 0.000 0.501 472 F N 0.395 120.424 119.950 0.132 0.000 2.206 472 F HA 0.137 4.664 4.527 0.000 0.000 0.298 472 F C 2.785 178.627 175.800 0.070 0.000 1.090 472 F CA 1.509 59.650 58.000 0.236 0.000 1.323 472 F CB -1.241 38.033 39.000 0.457 0.000 1.028 472 F HN 0.479 nan 8.300 nan 0.000 0.492 473 E N 0.865 121.000 120.200 -0.108 0.000 2.219 473 E HA -0.266 4.084 4.350 0.000 0.000 0.198 473 E C 2.037 178.566 176.600 -0.117 0.000 0.998 473 E CA 1.946 58.120 56.400 -0.377 0.000 0.818 473 E CB -1.144 28.226 29.700 -0.550 0.000 0.741 473 E HN 0.390 nan 8.360 nan 0.000 0.477 474 K N -0.258 120.109 120.400 -0.055 0.000 2.404 474 K HA 0.228 4.548 4.320 0.000 0.000 0.194 474 K C 1.776 178.320 176.600 -0.094 0.000 1.023 474 K CA 0.792 57.046 56.287 -0.056 0.000 1.094 474 K CB 0.135 32.610 32.500 -0.041 0.000 0.841 474 K HN 0.511 nan 8.250 nan 0.000 0.523 475 K N -0.695 119.619 120.400 -0.142 0.000 2.352 475 K HA 0.324 4.644 4.320 0.000 0.000 0.194 475 K C -0.647 175.434 176.600 -0.864 0.000 1.038 475 K CA 0.208 56.203 56.287 -0.486 0.000 1.023 475 K CB 0.219 32.369 32.500 -0.583 0.000 0.840 475 K HN 0.305 nan 8.250 nan 0.000 0.519 476 F N -0.076 119.855 119.950 -0.031 0.000 2.640 476 F HA 0.162 4.689 4.527 0.000 0.000 0.324 476 F C 0.629 176.394 175.800 -0.058 0.000 1.077 476 F CA -1.370 56.582 58.000 -0.081 0.000 0.965 476 F CB 0.935 39.844 39.000 -0.153 0.000 1.351 476 F HN -0.213 nan 8.300 nan 0.000 0.487 477 T N -1.589 113.038 114.554 0.122 0.000 2.856 477 T HA 0.207 4.557 4.350 0.000 0.000 0.306 477 T C -2.129 172.624 174.700 0.087 0.000 1.062 477 T CA -1.257 60.882 62.100 0.065 0.000 1.083 477 T CB 1.090 69.981 68.868 0.039 0.000 0.984 477 T HN 0.282 nan 8.240 nan 0.000 0.542 478 P HA -0.014 nan 4.420 nan 0.000 0.218 478 P C 1.260 178.620 177.300 0.100 0.000 1.149 478 P CA 0.848 64.006 63.100 0.097 0.000 0.817 478 P CB 0.064 31.800 31.700 0.061 0.000 0.785 479 E N -0.624 119.606 120.200 0.049 0.000 2.051 479 E HA -0.121 4.229 4.350 0.000 0.000 0.192 479 E C 2.053 178.642 176.600 -0.019 0.000 0.991 479 E CA 0.972 57.384 56.400 0.020 0.000 0.799 479 E CB -1.385 28.320 29.700 0.009 0.000 0.748 479 E HN 0.007 nan 8.360 nan 0.000 0.449 480 V N 0.287 120.161 119.914 -0.068 0.000 2.307 480 V HA -0.263 3.857 4.120 0.000 0.000 0.245 480 V C 1.991 177.922 176.094 -0.272 0.000 1.045 480 V CA 1.861 63.998 62.300 -0.272 0.000 1.024 480 V CB -0.560 30.952 31.823 -0.518 0.000 0.651 480 V HN 0.305 nan 8.190 nan 0.000 0.449 481 Y N 0.989 121.171 120.300 -0.197 0.000 2.114 481 Y HA -0.292 4.258 4.550 0.000 0.000 0.282 481 Y C 2.719 178.587 175.900 -0.053 0.000 1.165 481 Y CA 2.014 60.042 58.100 -0.119 0.000 1.148 481 Y CB -0.246 38.223 38.460 0.014 0.000 0.972 481 Y HN 0.217 nan 8.280 nan 0.000 0.504 482 Q N -0.328 119.465 119.800 -0.012 0.000 2.170 482 Q HA -0.108 4.232 4.340 0.000 0.000 0.203 482 Q C 2.523 178.596 176.000 0.121 0.000 0.976 482 Q CA 1.319 57.139 55.803 0.028 0.000 0.858 482 Q CB -1.008 27.816 28.738 0.144 0.000 0.907 482 Q HN 0.662 nan 8.270 nan 0.000 0.433 483 G N 0.640 109.441 108.800 0.001 0.000 2.408 483 G HA2 -0.164 3.796 3.960 0.000 0.000 0.217 483 G HA3 -0.164 3.796 3.960 0.000 0.000 0.217 483 G C 1.589 176.484 174.900 -0.009 0.000 1.150 483 G CA 0.325 45.430 45.100 0.009 0.000 0.776 483 G HN 0.251 nan 8.290 nan 0.000 0.542 484 L N 0.033 121.165 121.223 -0.152 0.000 2.012 484 L HA -0.138 4.202 4.340 0.000 0.000 0.210 484 L C 3.119 179.935 176.870 -0.090 0.000 1.073 484 L CA 0.969 55.724 54.840 -0.141 0.000 0.748 484 L CB -0.447 41.433 42.059 -0.298 0.000 0.891 484 L HN 0.142 nan 8.230 nan 0.000 0.431 485 M N -0.708 118.736 119.600 -0.260 0.000 2.065 485 M HA -0.228 4.252 4.480 0.000 0.000 0.259 485 M C 2.293 178.522 176.300 -0.118 0.000 1.069 485 M CA 1.922 57.070 55.300 -0.254 0.000 1.110 485 M CB -1.547 30.798 32.600 -0.424 0.000 1.328 485 M HN 0.256 nan 8.290 nan 0.000 0.405 486 H N -0.601 118.437 119.070 -0.053 0.000 2.353 486 H HA -0.006 4.550 4.556 0.000 0.000 0.300 486 H C 2.160 177.500 175.328 0.021 0.000 1.090 486 H CA 1.744 57.785 56.048 -0.012 0.000 1.327 486 H CB -0.678 29.070 29.762 -0.024 0.000 1.383 486 H HN 0.510 nan 8.280 nan 0.000 0.508 487 G N -0.655 108.235 108.800 0.149 0.000 2.422 487 G HA2 -0.322 3.638 3.960 0.000 0.000 0.218 487 G HA3 -0.322 3.638 3.960 0.000 0.000 0.218 487 G C 1.521 176.478 174.900 0.095 0.000 1.140 487 G CA 0.681 45.843 45.100 0.104 0.000 0.775 487 G HN 0.449 nan 8.290 nan 0.000 0.545 488 Y N 1.900 122.243 120.300 0.071 0.000 2.081 488 Y HA -0.230 4.320 4.550 0.000 0.000 0.280 488 Y C 2.465 178.434 175.900 0.116 0.000 1.163 488 Y CA 2.292 60.496 58.100 0.174 0.000 1.135 488 Y CB -0.089 38.438 38.460 0.111 0.000 0.970 488 Y HN 0.201 nan 8.280 nan 0.000 0.498 489 D N -0.031 120.485 120.400 0.193 0.000 2.123 489 D HA -0.170 4.470 4.640 0.000 0.000 0.196 489 D C 2.064 178.317 176.300 -0.077 0.000 0.992 489 D CA 1.598 55.638 54.000 0.066 0.000 0.833 489 D CB -0.249 40.577 40.800 0.044 0.000 0.954 489 D HN 0.405 nan 8.370 nan 0.000 0.455 490 K N -0.231 120.119 120.400 -0.083 0.000 2.063 490 K HA -0.137 4.183 4.320 0.000 0.000 0.208 490 K C 1.952 178.389 176.600 -0.272 0.000 1.048 490 K CA 0.599 56.808 56.287 -0.130 0.000 0.928 490 K CB -0.111 32.344 32.500 -0.075 0.000 0.713 490 K HN 0.075 nan 8.250 nan 0.000 0.442 491 L N -0.320 120.640 121.223 -0.438 0.000 2.084 491 L HA 0.019 4.359 4.340 0.000 0.000 0.202 491 L C 1.675 177.998 176.870 -0.911 0.000 1.074 491 L CA 1.674 56.026 54.840 -0.812 0.000 0.757 491 L CB -0.281 41.055 42.059 -1.204 0.000 0.918 491 L HN -0.006 nan 8.230 nan 0.000 0.444 492 F N -0.639 119.028 119.950 -0.471 0.000 2.619 492 F HA 0.208 4.735 4.527 0.000 0.000 0.293 492 F C 2.202 177.925 175.800 -0.128 0.000 1.119 492 F CA 0.383 58.163 58.000 -0.367 0.000 1.445 492 F CB -0.254 38.344 39.000 -0.670 0.000 1.119 492 F HN -0.046 nan 8.300 nan 0.000 0.573 493 R N -0.343 120.133 120.500 -0.040 0.000 2.334 493 R HA 0.119 4.459 4.340 0.000 0.000 0.212 493 R C 1.058 177.300 176.300 -0.096 0.000 0.897 493 R CA 0.389 56.484 56.100 -0.008 0.000 1.056 493 R CB 0.292 30.587 30.300 -0.009 0.000 1.046 493 R HN 0.210 nan 8.270 nan 0.000 0.513 494 E N 0.178 120.274 120.200 -0.173 0.000 2.941 494 E HA 0.006 4.356 4.350 0.000 0.000 0.180 494 E C 1.607 178.046 176.600 -0.267 0.000 1.130 494 E CA -0.065 56.221 56.400 -0.191 0.000 1.243 494 E CB -0.571 29.039 29.700 -0.150 0.000 1.582 494 E HN -0.024 nan 8.360 nan 0.000 0.499 495 L N 2.110 123.148 121.223 -0.309 0.000 1.955 495 L HA -0.126 4.214 4.340 0.000 0.000 0.213 495 L C 2.367 178.970 176.870 -0.445 0.000 1.072 495 L CA 1.728 56.360 54.840 -0.346 0.000 0.755 495 L CB -0.890 40.950 42.059 -0.366 0.000 0.888 495 L HN 0.108 nan 8.230 nan 0.000 0.432 496 L N -0.080 120.797 121.223 -0.578 0.000 1.989 496 L HA -0.143 4.197 4.340 0.000 0.000 0.211 496 L C -0.098 176.228 176.870 -0.906 0.000 1.071 496 L CA 1.672 56.046 54.840 -0.777 0.000 0.749 496 L CB -2.280 39.298 42.059 -0.802 0.000 0.890 496 L HN 0.300 nan 8.230 nan 0.000 0.431 497 P HA -0.164 nan 4.420 nan 0.000 0.216 497 P C 1.768 178.765 177.300 -0.506 0.000 1.150 497 P CA 2.022 64.533 63.100 -0.981 0.000 0.837 497 P CB -0.120 31.220 31.700 -0.600 0.000 0.786 498 S N -1.184 114.290 115.700 -0.377 0.000 2.382 498 S HA -0.120 4.350 4.470 0.000 0.000 0.228 498 S C 1.945 176.403 174.600 -0.237 0.000 1.027 498 S CA 1.849 59.893 58.200 -0.261 0.000 0.991 498 S CB -1.974 61.100 63.200 -0.210 0.000 0.823 498 S HN 0.118 nan 8.310 nan 0.000 0.469 499 T N 2.154 116.552 114.554 -0.261 0.000 2.777 499 T HA 0.027 4.377 4.350 0.000 0.000 0.266 499 T C 1.889 176.527 174.700 -0.103 0.000 1.040 499 T CA 1.323 63.348 62.100 -0.124 0.000 1.141 499 T CB -0.523 68.227 68.868 -0.198 0.000 0.868 499 T HN 0.295 nan 8.240 nan 0.000 0.444 500 V N 1.157 120.906 119.914 -0.275 0.000 2.427 500 V HA -0.156 3.964 4.120 0.000 0.000 0.248 500 V C 2.677 178.681 176.094 -0.150 0.000 1.051 500 V CA 1.533 63.681 62.300 -0.254 0.000 1.048 500 V CB -0.557 31.100 31.823 -0.275 0.000 0.666 500 V HN 0.336 nan 8.190 nan 0.000 0.456 501 K N -0.491 119.803 120.400 -0.178 0.000 2.097 501 K HA -0.189 4.131 4.320 0.000 0.000 0.206 501 K C 2.203 178.701 176.600 -0.170 0.000 1.049 501 K CA 1.829 58.030 56.287 -0.143 0.000 0.933 501 K CB -0.248 32.160 32.500 -0.153 0.000 0.717 501 K HN 0.791 nan 8.250 nan 0.000 0.442 502 E N -1.766 118.285 120.200 -0.247 0.000 2.072 502 E HA -0.083 4.268 4.350 0.000 0.000 0.190 502 E C 1.322 177.595 176.600 -0.545 0.000 0.982 502 E CA 1.581 57.707 56.400 -0.457 0.000 0.803 502 E CB -0.043 29.252 29.700 -0.677 0.000 0.755 502 E HN 0.554 nan 8.360 nan 0.000 0.453 503 F N -0.556 119.288 119.950 -0.176 0.000 2.704 503 F HA 0.253 4.780 4.527 -0.000 0.000 0.304 503 F C 0.425 176.083 175.800 -0.237 0.000 1.094 503 F CA -0.137 57.731 58.000 -0.219 0.000 1.275 503 F CB 1.045 39.885 39.000 -0.267 0.000 1.073 503 F HN -0.118 nan 8.300 nan 0.000 0.586 504 D N -0.963 119.439 120.400 0.003 0.000 3.060 504 D HA 0.149 4.789 4.640 0.000 0.000 0.326 504 D C 0.758 177.105 176.300 0.078 0.000 1.253 504 D CA 0.197 54.230 54.000 0.056 0.000 0.737 504 D CB 0.289 41.162 40.800 0.122 0.000 1.260 504 D HN -0.132 nan 8.370 nan 0.000 0.542 505 S N -0.389 115.344 115.700 0.056 0.000 2.419 505 S HA -0.111 4.359 4.470 0.000 0.000 0.233 505 S C 1.093 175.720 174.600 0.045 0.000 1.016 505 S CA 0.714 58.928 58.200 0.024 0.000 0.974 505 S CB 0.276 63.477 63.200 0.002 0.000 0.786 505 S HN 0.364 nan 8.310 nan 0.000 0.492 506 D N 0.648 121.092 120.400 0.073 0.000 2.340 506 D HA 0.158 4.798 4.640 0.000 0.000 0.217 506 D C 0.418 176.770 176.300 0.087 0.000 1.081 506 D CA 0.170 54.206 54.000 0.060 0.000 0.842 506 D CB 0.303 41.129 40.800 0.042 0.000 0.934 506 D HN 0.295 nan 8.370 nan 0.000 0.511 507 R N 0.248 120.830 120.500 0.137 0.000 2.589 507 R HA 0.309 4.649 4.340 0.000 0.000 0.293 507 R C -0.441 176.001 176.300 0.236 0.000 0.963 507 R CA -0.860 55.357 56.100 0.195 0.000 0.905 507 R CB 1.655 32.125 30.300 0.283 0.000 1.144 507 R HN -0.119 nan 8.270 nan 0.000 0.459 508 F N 3.137 123.106 119.950 0.032 0.000 2.518 508 F HA 0.101 4.628 4.527 -0.000 0.000 0.359 508 F C -0.750 175.126 175.800 0.127 0.000 1.118 508 F CA 0.144 58.133 58.000 -0.018 0.000 1.287 508 F CB 0.341 39.208 39.000 -0.222 0.000 1.132 508 F HN 0.425 nan 8.300 nan 0.000 0.587 509 Y N 6.179 126.042 120.300 -0.727 0.000 2.446 509 Y HA 0.623 5.173 4.550 0.000 0.000 0.345 509 Y C -1.815 173.511 175.900 -0.957 0.000 0.984 509 Y CA -1.077 56.709 58.100 -0.522 0.000 1.058 509 Y CB 1.574 39.938 38.460 -0.161 0.000 1.220 509 Y HN 0.581 nan 8.280 nan 0.000 0.455 510 V N 6.365 125.520 119.914 -1.265 0.000 2.735 510 V HA 0.270 4.390 4.120 0.000 0.000 0.310 510 V C 0.121 175.600 176.094 -1.024 0.000 1.061 510 V CA -0.396 61.359 62.300 -0.907 0.000 0.913 510 V CB 1.503 33.104 31.823 -0.370 0.000 1.005 510 V HN 1.067 nan 8.190 nan 0.000 0.428 511 H N 3.238 122.051 119.070 -0.428 0.000 2.457 511 H HA 0.347 4.903 4.556 0.000 0.000 0.294 511 H C 0.779 176.096 175.328 -0.019 0.000 1.064 511 H CA 1.108 57.095 56.048 -0.103 0.000 1.330 511 H CB 0.143 30.037 29.762 0.221 0.000 1.395 511 H HN 0.575 nan 8.280 nan 0.000 0.541 512 S N -1.255 114.229 115.700 -0.361 0.000 2.587 512 S HA 0.495 4.965 4.470 0.000 0.000 0.269 512 S C -1.641 172.958 174.600 -0.001 0.000 1.154 512 S CA -0.432 57.710 58.200 -0.097 0.000 0.824 512 S CB 1.576 64.797 63.200 0.035 0.000 1.118 512 S HN 0.378 nan 8.310 nan 0.000 0.462 513 S N 2.747 118.514 115.700 0.111 0.000 2.707 513 S HA 0.707 5.177 4.470 0.000 0.000 0.303 513 S C -3.026 171.457 174.600 -0.194 0.000 1.132 513 S CA -1.415 56.869 58.200 0.140 0.000 1.046 513 S CB 1.557 65.049 63.200 0.486 0.000 1.004 513 S HN 0.505 nan 8.310 nan 0.000 0.483 514 P HA 0.196 nan 4.420 nan 0.000 0.279 514 P C 0.144 177.380 177.300 -0.107 0.000 1.239 514 P CA -0.441 62.510 63.100 -0.248 0.000 0.789 514 P CB 0.335 31.885 31.700 -0.249 0.000 0.933 515 Y N 2.713 122.947 120.300 -0.111 0.000 2.395 515 Y HA 0.115 4.665 4.550 0.000 0.000 0.293 515 Y C 1.448 177.361 175.900 0.021 0.000 1.123 515 Y CA 0.899 58.913 58.100 -0.143 0.000 1.227 515 Y CB -0.562 37.757 38.460 -0.234 0.000 1.012 515 Y HN 0.237 nan 8.280 nan 0.000 0.552 516 L N -0.441 120.666 121.223 -0.193 0.000 2.658 516 L HA 0.621 4.961 4.340 0.000 0.000 0.222 516 L C 1.000 177.862 176.870 -0.013 0.000 1.033 516 L CA 0.371 55.199 54.840 -0.021 0.000 0.949 516 L CB -0.347 41.700 42.059 -0.020 0.000 1.698 516 L HN 0.047 nan 8.230 nan 0.000 0.498 517 A N 1.743 124.496 122.820 -0.112 0.000 2.511 517 A HA 0.211 4.531 4.320 0.000 0.000 0.242 517 A C -0.243 177.390 177.584 0.082 0.000 1.069 517 A CA 0.237 52.294 52.037 0.034 0.000 0.763 517 A CB -0.308 18.730 19.000 0.062 0.000 1.001 517 A HN 0.514 nan 8.150 nan 0.000 0.498 518 N N 2.788 121.544 118.700 0.093 0.000 2.258 518 N HA 0.162 4.902 4.740 0.000 0.000 0.299 518 N C 0.845 176.487 175.510 0.221 0.000 1.047 518 N CA -0.684 52.361 53.050 -0.009 0.000 0.814 518 N CB 0.987 39.130 38.487 -0.573 0.000 1.413 518 N HN 0.872 nan 8.380 nan 0.000 0.478 519 W N 3.233 124.683 121.300 0.251 0.000 2.465 519 W HA 0.107 4.767 4.660 0.000 0.000 0.268 519 W C 0.566 177.348 176.519 0.440 0.000 1.242 519 W CA 0.852 58.411 57.345 0.357 0.000 1.248 519 W CB -0.510 29.098 29.460 0.246 0.000 1.118 519 W HN 0.564 nan 8.180 nan 0.000 0.587 520 G N 1.446 110.037 108.800 -0.347 0.000 2.985 520 G HA2 -0.010 3.950 3.960 0.000 0.000 0.209 520 G HA3 -0.010 3.950 3.960 0.000 0.000 0.209 520 G C 0.620 175.401 174.900 -0.200 0.000 1.165 520 G CA -0.313 44.554 45.100 -0.387 0.000 0.776 520 G HN -0.096 nan 8.290 nan 0.000 0.541 521 R N 0.386 120.791 120.500 -0.158 0.000 2.396 521 R HA 0.293 4.633 4.340 0.000 0.000 0.292 521 R C -2.244 173.704 176.300 -0.587 0.000 1.240 521 R CA -2.493 53.442 56.100 -0.275 0.000 1.270 521 R CB 1.400 31.550 30.300 -0.250 0.000 1.108 521 R HN 0.009 nan 8.270 nan 0.000 0.573 522 P HA -0.151 nan 4.420 nan 0.000 0.222 522 P C 1.083 177.725 177.300 -1.098 0.000 1.147 522 P CA 0.894 62.908 63.100 -1.811 0.000 0.790 522 P CB 0.422 31.408 31.700 -1.189 0.000 0.780 523 E N 0.240 120.112 120.200 -0.546 0.000 2.418 523 E HA -0.090 4.261 4.350 0.000 0.000 0.197 523 E C 1.351 177.846 176.600 -0.176 0.000 1.026 523 E CA 1.259 57.494 56.400 -0.275 0.000 0.862 523 E CB -0.777 28.824 29.700 -0.164 0.000 0.799 523 E HN 0.308 nan 8.360 nan 0.000 0.518 524 S N -0.794 114.769 115.700 -0.228 0.000 2.524 524 S HA 0.015 4.485 4.470 0.000 0.000 0.216 524 S C 1.259 175.941 174.600 0.137 0.000 0.987 524 S CA -0.395 57.785 58.200 -0.033 0.000 0.909 524 S CB -0.609 62.588 63.200 -0.005 0.000 0.781 524 S HN 0.253 nan 8.310 nan 0.000 0.521 525 W N 2.302 123.634 121.300 0.053 0.000 2.465 525 W HA 0.353 5.013 4.660 0.000 0.000 0.268 525 W C 2.166 178.747 176.519 0.102 0.000 1.242 525 W CA 0.102 57.493 57.345 0.077 0.000 1.248 525 W CB -1.337 28.192 29.460 0.114 0.000 1.118 525 W HN 0.522 nan 8.180 nan 0.000 0.587 526 G N -0.546 108.441 108.800 0.312 0.000 2.920 526 G HA2 0.001 3.961 3.960 0.000 0.000 0.208 526 G HA3 0.001 3.961 3.960 0.000 0.000 0.208 526 G C 0.108 175.070 174.900 0.103 0.000 1.159 526 G CA 0.274 45.507 45.100 0.221 0.000 0.784 526 G HN 0.022 nan 8.290 nan 0.000 0.535 527 T N 1.193 115.800 114.554 0.089 0.000 2.947 527 T HA 0.572 4.922 4.350 0.000 0.000 0.337 527 T C 0.766 175.395 174.700 -0.118 0.000 1.139 527 T CA 0.300 62.429 62.100 0.047 0.000 0.992 527 T CB 0.960 69.863 68.868 0.058 0.000 1.043 527 T HN 0.836 nan 8.240 nan 0.000 0.498 528 G N 4.091 112.886 108.800 -0.008 0.000 2.593 528 G HA2 -0.183 3.777 3.960 0.000 0.000 0.237 528 G HA3 -0.183 3.777 3.960 0.000 0.000 0.237 528 G C -0.583 174.182 174.900 -0.226 0.000 1.312 528 G CA -0.245 44.777 45.100 -0.131 0.000 0.896 528 G HN 0.825 nan 8.290 nan 0.000 0.574 529 D N -0.140 119.967 120.400 -0.489 0.000 2.329 529 D HA 0.585 5.225 4.640 0.000 0.000 0.246 529 D C -0.117 176.118 176.300 -0.108 0.000 1.111 529 D CA 0.243 54.081 54.000 -0.270 0.000 0.941 529 D CB 1.491 42.063 40.800 -0.380 0.000 1.169 529 D HN 0.512 nan 8.370 nan 0.000 0.441 530 S N -0.532 115.193 115.700 0.042 0.000 2.526 530 S HA 0.267 4.737 4.470 0.000 0.000 0.293 530 S C -0.842 173.902 174.600 0.241 0.000 1.092 530 S CA -0.701 57.543 58.200 0.073 0.000 0.980 530 S CB 1.061 64.239 63.200 -0.037 0.000 1.048 530 S HN 0.402 nan 8.310 nan 0.000 0.483 531 H N 2.519 121.653 119.070 0.107 0.000 2.680 531 H HA 0.219 4.775 4.556 0.000 0.000 0.260 531 H C -0.289 175.082 175.328 0.072 0.000 1.328 531 H CA -0.641 55.489 56.048 0.136 0.000 1.269 531 H CB 0.378 30.409 29.762 0.448 0.000 1.446 531 H HN 0.323 nan 8.280 nan 0.000 0.527 532 N N 2.990 121.632 118.700 -0.096 0.000 2.466 532 N HA -0.056 4.684 4.740 0.000 0.000 0.263 532 N C -0.400 174.833 175.510 -0.463 0.000 1.178 532 N CA -0.179 52.763 53.050 -0.179 0.000 0.983 532 N CB 0.009 38.330 38.487 -0.277 0.000 1.331 532 N HN 0.578 nan 8.380 nan 0.000 0.500 533 W N 1.713 122.850 121.300 -0.272 0.000 3.194 533 W HA 0.366 5.026 4.660 0.000 0.000 0.408 533 W C 1.837 177.662 176.519 -1.157 0.000 1.072 533 W CA -0.707 56.329 57.345 -0.514 0.000 1.953 533 W CB 0.372 29.709 29.460 -0.205 0.000 1.091 533 W HN 0.568 nan 8.180 nan 0.000 0.699 534 G N 0.458 108.776 108.800 -0.804 0.000 2.421 534 G HA2 -0.193 3.767 3.960 0.000 0.000 0.216 534 G HA3 -0.193 3.767 3.960 0.000 0.000 0.216 534 G C 0.643 175.438 174.900 -0.175 0.000 1.171 534 G CA 0.499 45.300 45.100 -0.498 0.000 0.775 534 G HN -0.034 nan 8.290 nan 0.000 0.543 535 V N 0.899 120.782 119.914 -0.053 0.000 2.637 535 V HA 0.223 4.343 4.120 0.000 0.000 0.296 535 V C 0.851 177.105 176.094 0.266 0.000 1.046 535 V CA 0.085 62.449 62.300 0.107 0.000 1.066 535 V CB 0.329 32.222 31.823 0.117 0.000 0.968 535 V HN 0.613 nan 8.190 nan 0.000 0.483 536 W N 3.466 124.814 121.300 0.079 0.000 1.636 536 W HA -0.392 4.268 4.660 0.000 0.000 0.269 536 W C 1.406 177.886 176.519 -0.065 0.000 1.819 536 W CA 1.656 58.980 57.345 -0.036 0.000 2.155 536 W CB -1.402 28.072 29.460 0.023 0.000 1.018 536 W HN 0.572 nan 8.180 nan 0.000 0.439 537 Y N 1.182 121.576 120.300 0.157 0.000 2.207 537 Y HA -0.023 4.527 4.550 0.000 0.000 0.287 537 Y C 2.635 178.493 175.900 -0.070 0.000 1.156 537 Y CA 2.640 60.716 58.100 -0.040 0.000 1.182 537 Y CB -1.442 37.058 38.460 0.066 0.000 0.979 537 Y HN 0.282 nan 8.280 nan 0.000 0.521 538 G N -0.939 107.798 108.800 -0.106 0.000 2.985 538 G HA2 -0.004 3.956 3.960 0.000 0.000 0.209 538 G HA3 -0.004 3.956 3.960 0.000 0.000 0.209 538 G C 0.722 175.674 174.900 0.086 0.000 1.165 538 G CA 0.121 45.240 45.100 0.032 0.000 0.776 538 G HN 0.346 nan 8.290 nan 0.000 0.541 539 K N -0.660 119.777 120.400 0.061 0.000 3.193 539 K HA -0.206 4.114 4.320 0.000 0.000 0.294 539 K C 0.185 176.760 176.600 -0.043 0.000 1.185 539 K CA 0.839 57.155 56.287 0.048 0.000 0.866 539 K CB -1.083 31.393 32.500 -0.041 0.000 1.227 539 K HN 0.418 nan 8.250 nan 0.000 0.467 540 K N 1.680 122.102 120.400 0.038 0.000 2.436 540 K HA 0.072 4.392 4.320 0.000 0.000 0.275 540 K C -2.058 174.488 176.600 -0.091 0.000 0.999 540 K CA -1.174 55.108 56.287 -0.009 0.000 0.980 540 K CB 0.163 32.693 32.500 0.050 0.000 0.919 540 K HN -0.030 nan 8.250 nan 0.000 0.484 541 P HA -0.032 nan 4.420 nan 0.000 0.272 541 P C 0.188 177.433 177.300 -0.091 0.000 1.230 541 P CA -0.095 62.887 63.100 -0.197 0.000 0.788 541 P CB 0.372 31.997 31.700 -0.124 0.000 0.949 542 F N 0.549 120.544 119.950 0.074 0.000 2.192 542 F HA -0.189 4.338 4.527 0.000 0.000 0.301 542 F C 2.157 177.997 175.800 0.067 0.000 1.079 542 F CA 1.720 59.750 58.000 0.050 0.000 1.303 542 F CB -1.243 37.732 39.000 -0.042 0.000 1.024 542 F HN 0.323 nan 8.300 nan 0.000 0.494 543 E N -0.109 120.181 120.200 0.149 0.000 2.265 543 E HA -0.167 4.184 4.350 0.000 0.000 0.196 543 E C 2.288 178.964 176.600 0.127 0.000 0.996 543 E CA 1.197 57.672 56.400 0.125 0.000 0.832 543 E CB -0.579 29.143 29.700 0.037 0.000 0.756 543 E HN 0.407 nan 8.360 nan 0.000 0.491 544 S N 0.208 115.963 115.700 0.092 0.000 2.442 544 S HA -0.124 4.347 4.470 0.000 0.000 0.236 544 S C 1.853 176.481 174.600 0.047 0.000 1.007 544 S CA 0.652 58.894 58.200 0.069 0.000 0.965 544 S CB -0.395 62.840 63.200 0.058 0.000 0.773 544 S HN 0.247 nan 8.310 nan 0.000 0.504 545 L N 1.346 122.610 121.223 0.069 0.000 2.275 545 L HA -0.058 4.282 4.340 0.000 0.000 0.215 545 L C 2.017 178.861 176.870 -0.044 0.000 1.119 545 L CA 1.066 55.903 54.840 -0.006 0.000 0.790 545 L CB -0.605 41.446 42.059 -0.013 0.000 0.919 545 L HN 0.257 nan 8.230 nan 0.000 0.443 546 D N -0.551 119.856 120.400 0.010 0.000 2.224 546 D HA -0.119 4.521 4.640 0.000 0.000 0.205 546 D C 2.136 178.433 176.300 -0.005 0.000 0.965 546 D CA 1.950 55.938 54.000 -0.020 0.000 0.852 546 D CB 0.086 40.913 40.800 0.046 0.000 0.947 546 D HN 0.448 nan 8.370 nan 0.000 0.494 547 T N -2.295 112.276 114.554 0.027 0.000 3.018 547 T HA 0.018 4.368 4.350 0.000 0.000 0.246 547 T C 0.587 175.334 174.700 0.079 0.000 1.026 547 T CA -0.181 61.951 62.100 0.052 0.000 1.081 547 T CB 0.186 69.106 68.868 0.088 0.000 0.970 547 T HN -0.243 nan 8.240 nan 0.000 0.475 548 D N 2.322 122.736 120.400 0.023 0.000 2.563 548 D HA 0.435 5.075 4.640 0.000 0.000 0.222 548 D C -0.551 175.620 176.300 -0.215 0.000 1.145 548 D CA -0.107 53.822 54.000 -0.118 0.000 1.001 548 D CB 0.150 40.706 40.800 -0.408 0.000 1.049 548 D HN 0.432 nan 8.370 nan 0.000 0.515 549 L N 2.794 124.023 121.223 0.008 0.000 2.357 549 L HA 0.482 4.822 4.340 0.000 0.000 0.273 549 L C -1.977 175.001 176.870 0.180 0.000 1.080 549 L CA -1.511 53.369 54.840 0.068 0.000 0.803 549 L CB 1.454 43.566 42.059 0.089 0.000 1.174 549 L HN 0.070 nan 8.230 nan 0.000 0.443 550 P HA 0.388 nan 4.420 nan 0.000 0.288 550 P C -0.522 176.843 177.300 0.108 0.000 1.300 550 P CA -0.791 62.353 63.100 0.073 0.000 0.910 550 P CB 1.694 33.304 31.700 -0.150 0.000 1.256 551 R N -0.076 120.433 120.500 0.016 0.000 2.189 551 R HA 0.192 4.533 4.340 0.000 0.000 0.218 551 R C 0.181 176.584 176.300 0.172 0.000 1.074 551 R CA 0.746 56.824 56.100 -0.035 0.000 0.991 551 R CB -0.891 29.405 30.300 -0.007 0.000 0.883 551 R HN 0.579 nan 8.270 nan 0.000 0.457 552 F N -0.307 119.623 119.950 -0.033 0.000 2.683 552 F HA 0.250 4.777 4.527 0.000 0.000 0.333 552 F C -1.332 174.398 175.800 -0.117 0.000 1.160 552 F CA -1.163 56.828 58.000 -0.015 0.000 1.099 552 F CB 1.126 40.241 39.000 0.192 0.000 1.344 552 F HN -0.241 nan 8.300 nan 0.000 0.534 553 M N 5.200 124.531 119.600 -0.448 0.000 2.094 553 M HA 0.269 4.749 4.480 0.000 0.000 0.348 553 M C 0.391 176.637 176.300 -0.090 0.000 1.267 553 M CA 0.360 55.459 55.300 -0.335 0.000 1.125 553 M CB 0.783 32.952 32.600 -0.719 0.000 1.527 553 M HN 0.532 nan 8.290 nan 0.000 0.447 554 S N 2.420 118.211 115.700 0.151 0.000 2.517 554 S HA 0.314 4.784 4.470 0.000 0.000 0.214 554 S C 0.065 174.562 174.600 -0.172 0.000 0.991 554 S CA -0.173 58.086 58.200 0.098 0.000 0.906 554 S CB -0.033 63.239 63.200 0.120 0.000 0.789 554 S HN 0.739 nan 8.310 nan 0.000 0.513 555 E N 0.126 120.220 120.200 -0.177 0.000 2.335 555 E HA 0.588 4.938 4.350 0.000 0.000 0.280 555 E C -1.615 174.859 176.600 -0.209 0.000 0.918 555 E CA -0.778 55.462 56.400 -0.267 0.000 0.765 555 E CB 2.436 31.856 29.700 -0.467 0.000 1.218 555 E HN 0.456 nan 8.360 nan 0.000 0.425 556 F N -0.709 118.905 119.950 -0.560 0.000 2.719 556 F HA 0.848 5.375 4.527 0.000 0.000 0.309 556 F C -0.673 174.750 175.800 -0.628 0.000 1.138 556 F CA -0.692 56.787 58.000 -0.869 0.000 0.943 556 F CB 1.745 40.471 39.000 -0.457 0.000 1.304 556 F HN 0.563 nan 8.300 nan 0.000 0.445 557 G N 0.814 109.106 108.800 -0.847 0.000 2.547 557 G HA2 0.559 4.519 3.960 0.000 0.000 0.291 557 G HA3 0.559 4.519 3.960 0.000 0.000 0.291 557 G C -2.827 172.168 174.900 0.159 0.000 1.471 557 G CA -0.847 44.040 45.100 -0.355 0.000 0.798 557 G HN 1.120 nan 8.290 nan 0.000 0.504 558 F N 0.086 120.065 119.950 0.048 0.000 2.615 558 F HA 0.574 5.101 4.527 0.000 0.000 0.312 558 F C -0.215 175.355 175.800 -0.383 0.000 1.119 558 F CA -0.695 57.269 58.000 -0.060 0.000 0.979 558 F CB 1.920 40.964 39.000 0.074 0.000 1.266 558 F HN 0.569 nan 8.300 nan 0.000 0.444 559 Q N 2.216 121.059 119.800 -1.595 0.000 2.249 559 Q HA 0.698 5.038 4.340 0.000 0.000 0.226 559 Q C -0.984 174.632 176.000 -0.640 0.000 0.983 559 Q CA -0.632 54.386 55.803 -1.307 0.000 0.930 559 Q CB 1.823 29.543 28.738 -1.698 0.000 1.193 559 Q HN 0.711 nan 8.270 nan 0.000 0.508 560 S N -0.392 115.023 115.700 -0.475 0.000 2.537 560 S HA 0.477 4.947 4.470 0.000 0.000 0.271 560 S C -0.997 173.480 174.600 -0.206 0.000 1.148 560 S CA -0.889 57.175 58.200 -0.227 0.000 0.868 560 S CB 0.432 63.520 63.200 -0.186 0.000 1.115 560 S HN 0.371 nan 8.310 nan 0.000 0.461 561 F N 3.289 123.131 119.950 -0.180 0.000 2.572 561 F HA 0.327 4.854 4.527 0.000 0.000 0.370 561 F C -1.302 174.422 175.800 -0.127 0.000 1.103 561 F CA -0.780 57.152 58.000 -0.113 0.000 1.286 561 F CB 0.349 39.303 39.000 -0.076 0.000 1.105 561 F HN 0.432 nan 8.300 nan 0.000 0.583 562 P HA 0.060 nan 4.420 nan 0.000 0.274 562 P C -0.789 176.572 177.300 0.102 0.000 1.256 562 P CA -0.548 62.588 63.100 0.059 0.000 0.795 562 P CB 0.580 32.330 31.700 0.084 0.000 1.038 563 E N 0.607 120.864 120.200 0.095 0.000 2.425 563 E HA 0.002 4.352 4.350 0.000 0.000 0.258 563 E C 1.093 177.762 176.600 0.116 0.000 1.151 563 E CA -0.558 55.917 56.400 0.124 0.000 0.958 563 E CB 0.105 29.944 29.700 0.231 0.000 0.968 563 E HN 0.157 nan 8.360 nan 0.000 0.451 564 M N 1.418 121.078 119.600 0.101 0.000 2.108 564 M HA -0.188 4.292 4.480 0.000 0.000 0.261 564 M C 2.079 178.395 176.300 0.027 0.000 1.066 564 M CA 2.234 57.549 55.300 0.025 0.000 1.107 564 M CB -1.375 31.241 32.600 0.027 0.000 1.356 564 M HN 0.714 nan 8.290 nan 0.000 0.406 565 K N -1.174 119.267 120.400 0.068 0.000 2.152 565 K HA -0.107 4.213 4.320 0.000 0.000 0.206 565 K C 1.707 178.318 176.600 0.018 0.000 1.048 565 K CA 1.799 58.109 56.287 0.039 0.000 0.933 565 K CB -0.725 31.800 32.500 0.043 0.000 0.721 565 K HN 0.177 nan 8.250 nan 0.000 0.447 566 T N 1.792 116.399 114.554 0.089 0.000 2.812 566 T HA 0.060 4.410 4.350 0.000 0.000 0.264 566 T C 1.905 176.677 174.700 0.119 0.000 1.042 566 T CA 1.068 63.283 62.100 0.193 0.000 1.140 566 T CB -0.154 68.909 68.868 0.326 0.000 0.870 566 T HN 0.174 nan 8.240 nan 0.000 0.445 567 I N 1.581 122.120 120.570 -0.052 0.000 2.208 567 I HA -0.210 3.960 4.170 0.000 0.000 0.245 567 I C 2.867 178.640 176.117 -0.573 0.000 1.097 567 I CA 1.184 62.161 61.300 -0.537 0.000 1.363 567 I CB -0.471 37.328 38.000 -0.335 0.000 1.051 567 I HN 0.186 nan 8.210 nan 0.000 0.413 568 A N 0.629 123.346 122.820 -0.172 0.000 2.070 568 A HA -0.077 4.243 4.320 0.000 0.000 0.220 568 A C 2.432 180.035 177.584 0.032 0.000 1.159 568 A CA 1.609 53.647 52.037 0.003 0.000 0.656 568 A CB -0.586 18.462 19.000 0.079 0.000 0.800 568 A HN 0.455 nan 8.150 nan 0.000 0.453 569 A N -0.979 121.858 122.820 0.028 0.000 2.119 569 A HA 0.241 4.561 4.320 0.000 0.000 0.216 569 A C 1.508 179.307 177.584 0.359 0.000 1.152 569 A CA 1.184 53.339 52.037 0.196 0.000 0.708 569 A CB -0.551 18.537 19.000 0.148 0.000 0.805 569 A HN 1.115 nan 8.150 nan 0.000 0.460 570 F N -3.980 115.985 119.950 0.026 0.000 2.798 570 F HA 0.757 5.284 4.527 0.000 0.000 0.328 570 F C 0.170 175.480 175.800 -0.817 0.000 1.098 570 F CA -0.250 57.542 58.000 -0.347 0.000 1.172 570 F CB 0.088 38.839 39.000 -0.415 0.000 1.072 570 F HN 0.167 nan 8.300 nan 0.000 0.555 571 A N 1.218 123.646 122.820 -0.654 0.000 2.549 571 A HA 0.851 5.172 4.320 0.000 0.000 0.297 571 A C -0.859 176.705 177.584 -0.034 0.000 1.061 571 A CA -0.415 51.380 52.037 -0.405 0.000 0.690 571 A CB 0.819 19.557 19.000 -0.436 0.000 1.287 571 A HN 0.581 nan 8.150 nan 0.000 0.402 572 A N 1.906 124.733 122.820 0.012 0.000 2.279 572 A HA 0.756 5.076 4.320 0.000 0.000 0.303 572 A C -1.914 175.395 177.584 -0.458 0.000 1.108 572 A CA -1.709 50.288 52.037 -0.066 0.000 0.830 572 A CB 0.106 19.114 19.000 0.014 0.000 1.106 572 A HN 0.473 nan 8.150 nan 0.000 0.493 573 P HA -0.106 nan 4.420 nan 0.000 0.223 573 P C 0.363 177.154 177.300 -0.848 0.000 1.144 573 P CA 1.266 63.533 63.100 -1.389 0.000 0.783 573 P CB 0.164 31.439 31.700 -0.708 0.000 0.771 574 E N -0.913 119.025 120.200 -0.436 0.000 2.481 574 E HA -0.064 4.286 4.350 0.000 0.000 0.195 574 E C 0.916 177.402 176.600 -0.191 0.000 1.047 574 E CA 0.641 56.895 56.400 -0.244 0.000 0.867 574 E CB -0.530 29.087 29.700 -0.138 0.000 0.858 574 E HN 0.340 nan 8.360 nan 0.000 0.513 575 D N -0.305 119.969 120.400 -0.209 0.000 2.369 575 D HA -0.041 4.599 4.640 0.000 0.000 0.211 575 D C -0.156 176.061 176.300 -0.140 0.000 1.077 575 D CA 0.059 53.996 54.000 -0.104 0.000 0.842 575 D CB 0.130 40.904 40.800 -0.043 0.000 0.947 575 D HN 0.189 nan 8.370 nan 0.000 0.509 576 Y N 2.131 122.122 120.300 -0.516 0.000 2.758 576 Y HA 0.232 4.782 4.550 0.000 0.000 0.351 576 Y C 0.299 175.622 175.900 -0.962 0.000 1.214 576 Y CA -0.173 57.271 58.100 -1.093 0.000 1.983 576 Y CB -1.193 36.783 38.460 -0.807 0.000 2.062 576 Y HN -0.100 nan 8.280 nan 0.000 0.416 577 Q N -1.140 118.350 119.800 -0.517 0.000 2.397 577 Q HA 0.385 4.725 4.340 0.000 0.000 0.275 577 Q C 0.949 176.954 176.000 0.008 0.000 1.090 577 Q CA -0.573 55.128 55.803 -0.171 0.000 0.809 577 Q CB 1.715 30.408 28.738 -0.074 0.000 1.362 577 Q HN 0.209 nan 8.270 nan 0.000 0.431 578 I N 0.369 120.990 120.570 0.085 0.000 2.361 578 I HA -0.148 4.022 4.170 0.000 0.000 0.251 578 I C 0.518 176.749 176.117 0.191 0.000 1.133 578 I CA 1.485 62.833 61.300 0.080 0.000 1.413 578 I CB -0.390 37.388 38.000 -0.370 0.000 1.073 578 I HN 0.676 nan 8.210 nan 0.000 0.424 579 E N -0.151 120.102 120.200 0.088 0.000 3.385 579 E HA 0.183 4.533 4.350 0.000 0.000 0.206 579 E C 0.378 177.018 176.600 0.066 0.000 0.997 579 E CA -0.097 56.357 56.400 0.090 0.000 1.278 579 E CB 0.619 30.351 29.700 0.053 0.000 1.165 579 E HN 0.649 nan 8.360 nan 0.000 0.452 580 S N -0.550 115.191 115.700 0.068 0.000 2.624 580 S HA 0.127 4.597 4.470 0.000 0.000 0.263 580 S C 1.219 175.864 174.600 0.075 0.000 1.287 580 S CA -0.544 57.684 58.200 0.047 0.000 0.990 580 S CB 1.906 65.113 63.200 0.012 0.000 0.950 580 S HN 0.308 nan 8.310 nan 0.000 0.561 581 E N 0.073 120.312 120.200 0.064 0.000 2.070 581 E HA -0.147 4.203 4.350 0.000 0.000 0.197 581 E C 1.792 178.464 176.600 0.120 0.000 1.004 581 E CA 1.660 58.107 56.400 0.079 0.000 0.805 581 E CB -0.279 29.462 29.700 0.068 0.000 0.744 581 E HN 0.583 nan 8.360 nan 0.000 0.451 582 V N 0.697 120.692 119.914 0.135 0.000 2.427 582 V HA -0.255 3.865 4.120 0.000 0.000 0.248 582 V C 2.342 178.610 176.094 0.290 0.000 1.051 582 V CA 1.343 63.767 62.300 0.207 0.000 1.048 582 V CB -0.358 31.548 31.823 0.138 0.000 0.666 582 V HN 0.348 nan 8.190 nan 0.000 0.456 583 M N 0.441 120.184 119.600 0.239 0.000 2.132 583 M HA -0.074 4.406 4.480 0.000 0.000 0.263 583 M C 1.898 178.312 176.300 0.190 0.000 1.065 583 M CA 1.424 56.902 55.300 0.297 0.000 1.122 583 M CB -1.390 31.418 32.600 0.347 0.000 1.365 583 M HN 0.321 nan 8.290 nan 0.000 0.411 584 N N 0.008 118.795 118.700 0.145 0.000 2.396 584 N HA 0.022 4.763 4.740 0.000 0.000 0.180 584 N C 1.477 177.029 175.510 0.070 0.000 1.028 584 N CA 1.282 54.383 53.050 0.085 0.000 0.893 584 N CB -0.254 38.275 38.487 0.070 0.000 0.967 584 N HN 0.360 nan 8.380 nan 0.000 0.440 585 A N -0.158 122.734 122.820 0.120 0.000 2.119 585 A HA -0.043 4.277 4.320 0.000 0.000 0.216 585 A C 0.951 178.537 177.584 0.005 0.000 1.152 585 A CA 0.744 52.841 52.037 0.099 0.000 0.708 585 A CB -0.297 18.800 19.000 0.162 0.000 0.805 585 A HN 0.349 nan 8.150 nan 0.000 0.460 586 H N -1.285 117.721 119.070 -0.107 0.000 2.472 586 H HA 0.272 4.828 4.556 0.000 0.000 0.287 586 H C -0.475 174.632 175.328 -0.368 0.000 1.112 586 H CA -0.017 55.782 56.048 -0.415 0.000 1.021 586 H CB 0.321 29.495 29.762 -0.979 0.000 1.635 586 H HN 0.522 nan 8.280 nan 0.000 0.559 587 Q N 1.153 120.890 119.800 -0.104 0.000 2.285 587 Q HA 0.218 4.558 4.340 0.000 0.000 0.269 587 Q C -0.393 175.585 176.000 -0.037 0.000 1.030 587 Q CA -0.663 55.058 55.803 -0.137 0.000 0.788 587 Q CB 1.272 29.929 28.738 -0.135 0.000 1.266 587 Q HN -0.096 nan 8.270 nan 0.000 0.438 588 K N 1.765 122.157 120.400 -0.014 0.000 2.483 588 K HA 0.252 4.572 4.320 0.000 0.000 0.206 588 K C -0.193 176.450 176.600 0.070 0.000 1.086 588 K CA -0.150 56.169 56.287 0.054 0.000 1.052 588 K CB 1.271 33.874 32.500 0.171 0.000 0.904 588 K HN 0.527 nan 8.250 nan 0.000 0.557 589 S N 1.138 116.888 115.700 0.082 0.000 2.601 589 S HA 0.101 4.571 4.470 0.000 0.000 0.271 589 S C 1.395 176.106 174.600 0.185 0.000 1.305 589 S CA -0.111 58.235 58.200 0.244 0.000 1.022 589 S CB 1.029 64.455 63.200 0.376 0.000 0.940 589 S HN 0.361 nan 8.310 nan 0.000 0.525 590 S N 3.270 119.104 115.700 0.223 0.000 2.474 590 S HA 0.073 4.543 4.470 0.000 0.000 0.235 590 S C 0.529 175.208 174.600 0.132 0.000 0.997 590 S CA 0.341 58.610 58.200 0.114 0.000 0.949 590 S CB -0.408 62.803 63.200 0.018 0.000 0.766 590 S HN 0.670 nan 8.310 nan 0.000 0.517 591 I N 0.023 120.721 120.570 0.214 0.000 2.582 591 I HA 0.666 4.836 4.170 0.000 0.000 0.292 591 I C 0.344 176.500 176.117 0.064 0.000 1.066 591 I CA -0.669 60.665 61.300 0.057 0.000 1.053 591 I CB 1.685 39.647 38.000 -0.064 0.000 1.241 591 I HN 0.179 nan 8.210 nan 0.000 0.421 592 G N 4.033 112.840 108.800 0.012 0.000 3.364 592 G HA2 0.139 4.099 3.960 0.000 0.000 0.191 592 G HA3 0.139 4.099 3.960 0.000 0.000 0.191 592 G C 0.391 175.332 174.900 0.067 0.000 1.352 592 G CA -0.097 45.041 45.100 0.063 0.000 0.758 592 G HN 0.521 nan 8.290 nan 0.000 0.730 593 N N 1.195 119.945 118.700 0.083 0.000 2.166 593 N HA -0.137 4.603 4.740 0.000 0.000 0.186 593 N C 2.554 178.177 175.510 0.188 0.000 1.019 593 N CA 1.726 54.890 53.050 0.189 0.000 0.856 593 N CB -0.402 38.242 38.487 0.261 0.000 0.993 593 N HN 0.417 nan 8.380 nan 0.000 0.426 594 S N 0.934 116.692 115.700 0.097 0.000 2.387 594 S HA -0.128 4.342 4.470 0.000 0.000 0.230 594 S C 1.941 176.590 174.600 0.081 0.000 1.035 594 S CA 0.736 58.981 58.200 0.075 0.000 1.014 594 S CB -0.563 62.656 63.200 0.030 0.000 0.836 594 S HN 0.203 nan 8.310 nan 0.000 0.466 595 L N 1.299 122.520 121.223 -0.003 0.000 2.131 595 L HA 0.200 4.540 4.340 0.000 0.000 0.210 595 L C 2.180 179.138 176.870 0.146 0.000 1.092 595 L CA 1.294 56.091 54.840 -0.072 0.000 0.759 595 L CB -0.656 41.091 42.059 -0.521 0.000 0.903 595 L HN 0.395 nan 8.230 nan 0.000 0.435 596 I N -0.969 119.732 120.570 0.218 0.000 2.226 596 I HA -0.302 3.868 4.170 0.000 0.000 0.245 596 I C 2.722 179.091 176.117 0.421 0.000 1.100 596 I CA 1.215 62.748 61.300 0.389 0.000 1.374 596 I CB -0.351 37.888 38.000 0.398 0.000 1.057 596 I HN 0.261 nan 8.210 nan 0.000 0.413 597 R N 0.326 121.076 120.500 0.417 0.000 2.081 597 R HA -0.159 4.181 4.340 0.000 0.000 0.235 597 R C 2.280 178.726 176.300 0.244 0.000 1.131 597 R CA 2.037 58.364 56.100 0.379 0.000 0.960 597 R CB -0.325 30.160 30.300 0.308 0.000 0.856 597 R HN 0.294 nan 8.270 nan 0.000 0.436 598 T N 0.122 114.793 114.554 0.194 0.000 2.684 598 T HA -0.190 4.160 4.350 0.000 0.000 0.267 598 T C 1.497 176.258 174.700 0.102 0.000 1.036 598 T CA 1.682 63.845 62.100 0.105 0.000 1.148 598 T CB -0.439 68.452 68.868 0.038 0.000 0.863 598 T HN 0.314 nan 8.240 nan 0.000 0.436 599 Y N 0.659 121.029 120.300 0.117 0.000 2.224 599 Y HA -0.032 4.518 4.550 0.000 0.000 0.289 599 Y C 2.548 178.521 175.900 0.122 0.000 1.146 599 Y CA 1.127 59.296 58.100 0.115 0.000 1.182 599 Y CB -0.401 38.211 38.460 0.254 0.000 0.983 599 Y HN 0.152 nan 8.280 nan 0.000 0.524 600 M N -0.143 119.639 119.600 0.303 0.000 2.086 600 M HA -0.235 4.245 4.480 0.000 0.000 0.261 600 M C 2.317 178.721 176.300 0.173 0.000 1.067 600 M CA 1.820 57.243 55.300 0.206 0.000 1.116 600 M CB -0.193 32.437 32.600 0.050 0.000 1.348 600 M HN 0.162 nan 8.290 nan 0.000 0.407 601 E N 0.822 121.090 120.200 0.115 0.000 2.219 601 E HA -0.240 4.110 4.350 0.000 0.000 0.198 601 E C 1.749 178.349 176.600 0.000 0.000 0.998 601 E CA 1.458 57.889 56.400 0.050 0.000 0.818 601 E CB -0.116 29.605 29.700 0.036 0.000 0.741 601 E HN 0.608 nan 8.360 nan 0.000 0.477 602 R N -0.094 120.403 120.500 -0.004 0.000 2.148 602 R HA -0.035 4.305 4.340 0.000 0.000 0.223 602 R C 1.383 177.624 176.300 -0.098 0.000 1.088 602 R CA 1.315 57.379 56.100 -0.060 0.000 0.985 602 R CB 0.147 30.392 30.300 -0.092 0.000 0.880 602 R HN 0.132 nan 8.270 nan 0.000 0.451 603 D N -2.021 118.314 120.400 -0.108 0.000 2.502 603 D HA 0.104 4.744 4.640 0.000 0.000 0.232 603 D C -0.546 175.317 176.300 -0.729 0.000 1.137 603 D CA 0.419 54.186 54.000 -0.389 0.000 0.827 603 D CB 0.837 41.374 40.800 -0.437 0.000 1.141 603 D HN 0.016 nan 8.370 nan 0.000 0.517 604 Y N 0.082 120.310 120.300 -0.121 0.000 2.581 604 Y HA 0.429 4.979 4.550 0.000 0.000 0.345 604 Y C -0.039 175.774 175.900 -0.146 0.000 1.036 604 Y CA -0.950 57.059 58.100 -0.153 0.000 1.042 604 Y CB 1.628 39.985 38.460 -0.172 0.000 1.289 604 Y HN -0.326 nan 8.280 nan 0.000 0.471 605 I N 3.414 123.955 120.570 -0.049 0.000 2.416 605 I HA 0.156 4.326 4.170 0.000 0.000 0.288 605 I C -0.249 175.878 176.117 0.017 0.000 1.051 605 I CA 0.050 61.288 61.300 -0.104 0.000 1.375 605 I CB 0.342 38.124 38.000 -0.364 0.000 1.407 605 I HN 0.355 nan 8.210 nan 0.000 0.516 606 I N 8.835 129.434 120.570 0.050 0.000 2.517 606 I HA 0.105 4.275 4.170 0.000 0.000 0.285 606 I C -1.909 174.285 176.117 0.129 0.000 1.106 606 I CA -1.395 59.969 61.300 0.106 0.000 1.402 606 I CB -0.011 38.079 38.000 0.149 0.000 1.399 606 I HN 0.301 nan 8.210 nan 0.000 0.535 607 P HA 0.083 nan 4.420 nan 0.000 0.272 607 P C 0.358 177.748 177.300 0.150 0.000 1.230 607 P CA -0.330 62.860 63.100 0.150 0.000 0.788 607 P CB 0.733 32.507 31.700 0.124 0.000 0.949 608 E N -0.074 120.197 120.200 0.119 0.000 2.076 608 E HA -0.039 4.311 4.350 0.000 0.000 0.190 608 E C 0.687 177.343 176.600 0.094 0.000 0.979 608 E CA 0.976 57.433 56.400 0.094 0.000 0.807 608 E CB -0.532 29.216 29.700 0.080 0.000 0.761 608 E HN 0.553 nan 8.360 nan 0.000 0.454 609 S N -0.068 115.694 115.700 0.103 0.000 2.586 609 S HA 0.161 4.632 4.470 0.000 0.000 0.274 609 S C 0.907 175.595 174.600 0.147 0.000 1.281 609 S CA -0.764 57.509 58.200 0.121 0.000 1.035 609 S CB 1.020 64.285 63.200 0.109 0.000 0.962 609 S HN 0.099 nan 8.310 nan 0.000 0.512 610 F N 2.189 122.140 119.950 0.002 0.000 2.091 610 F HA -0.139 4.388 4.527 0.000 0.000 0.299 610 F C 2.071 177.856 175.800 -0.025 0.000 1.103 610 F CA 2.271 60.240 58.000 -0.053 0.000 1.228 610 F CB -0.477 38.474 39.000 -0.081 0.000 0.984 610 F HN 0.722 nan 8.300 nan 0.000 0.477 611 E N 0.345 120.610 120.200 0.109 0.000 2.085 611 E HA -0.212 4.138 4.350 0.000 0.000 0.194 611 E C 1.879 178.472 176.600 -0.011 0.000 0.994 611 E CA 1.694 58.100 56.400 0.010 0.000 0.801 611 E CB -0.467 29.284 29.700 0.085 0.000 0.743 611 E HN 0.438 nan 8.360 nan 0.000 0.453 612 D N -0.491 119.934 120.400 0.041 0.000 2.117 612 D HA -0.119 4.521 4.640 0.000 0.000 0.198 612 D C 1.643 177.946 176.300 0.005 0.000 0.982 612 D CA 0.555 54.605 54.000 0.083 0.000 0.828 612 D CB -0.390 40.464 40.800 0.090 0.000 0.967 612 D HN 0.110 nan 8.370 nan 0.000 0.464 613 F N 1.452 121.284 119.950 -0.197 0.000 2.091 613 F HA -0.273 4.254 4.527 0.000 0.000 0.299 613 F C 2.245 177.792 175.800 -0.422 0.000 1.103 613 F CA 1.216 59.030 58.000 -0.310 0.000 1.228 613 F CB -0.267 38.508 39.000 -0.376 0.000 0.984 613 F HN -0.205 nan 8.300 nan 0.000 0.477 614 V N -0.205 119.487 119.914 -0.370 0.000 2.287 614 V HA -0.351 3.769 4.120 0.000 0.000 0.248 614 V C 2.085 178.022 176.094 -0.261 0.000 1.053 614 V CA 2.304 64.365 62.300 -0.398 0.000 1.027 614 V CB -1.182 30.362 31.823 -0.464 0.000 0.646 614 V HN 0.614 nan 8.190 nan 0.000 0.447 615 Y N 0.893 121.042 120.300 -0.251 0.000 2.145 615 Y HA -0.211 4.339 4.550 0.000 0.000 0.286 615 Y C 2.313 178.037 175.900 -0.294 0.000 1.145 615 Y CA 1.905 59.888 58.100 -0.195 0.000 1.148 615 Y CB -0.711 37.722 38.460 -0.045 0.000 0.981 615 Y HN 0.053 nan 8.280 nan 0.000 0.507 616 V N 0.674 120.098 119.914 -0.816 0.000 2.343 616 V HA -0.228 3.893 4.120 0.000 0.000 0.247 616 V C 2.704 178.263 176.094 -0.892 0.000 1.051 616 V CA 1.870 63.560 62.300 -1.016 0.000 1.036 616 V CB -1.640 29.724 31.823 -0.765 0.000 0.654 616 V HN 0.638 nan 8.190 nan 0.000 0.451 617 G N -0.078 108.266 108.800 -0.760 0.000 2.442 617 G HA2 -0.229 3.731 3.960 0.000 0.000 0.219 617 G HA3 -0.229 3.731 3.960 0.000 0.000 0.219 617 G C 1.588 176.226 174.900 -0.437 0.000 1.141 617 G CA 1.023 45.786 45.100 -0.561 0.000 0.763 617 G HN 0.478 nan 8.290 nan 0.000 0.554 618 L N 0.067 121.001 121.223 -0.481 0.000 2.056 618 L HA -0.069 4.271 4.340 0.000 0.000 0.207 618 L C 2.998 179.475 176.870 -0.656 0.000 1.078 618 L CA 0.434 54.945 54.840 -0.548 0.000 0.749 618 L CB -0.504 41.181 42.059 -0.623 0.000 0.901 618 L HN 0.086 nan 8.230 nan 0.000 0.433 619 V N 0.037 119.543 119.914 -0.680 0.000 2.295 619 V HA -0.299 3.821 4.120 0.000 0.000 0.246 619 V C 2.403 178.162 176.094 -0.558 0.000 1.049 619 V CA 1.833 63.767 62.300 -0.609 0.000 1.024 619 V CB -0.456 30.969 31.823 -0.663 0.000 0.648 619 V HN 0.350 nan 8.190 nan 0.000 0.447 620 L N 0.146 120.984 121.223 -0.642 0.000 1.989 620 L HA -0.240 4.100 4.340 0.000 0.000 0.211 620 L C 2.536 179.135 176.870 -0.451 0.000 1.071 620 L CA 2.492 57.055 54.840 -0.462 0.000 0.749 620 L CB -0.867 40.970 42.059 -0.370 0.000 0.890 620 L HN 0.413 nan 8.230 nan 0.000 0.431 621 Q N -0.737 118.862 119.800 -0.336 0.000 2.084 621 Q HA -0.173 4.167 4.340 0.000 0.000 0.202 621 Q C 2.035 177.776 176.000 -0.432 0.000 0.978 621 Q CA 1.822 57.477 55.803 -0.246 0.000 0.844 621 Q CB -0.513 28.171 28.738 -0.090 0.000 0.898 621 Q HN 0.673 nan 8.270 nan 0.000 0.426 622 G N 0.506 109.033 108.800 -0.456 0.000 2.421 622 G HA2 -0.264 3.696 3.960 0.000 0.000 0.216 622 G HA3 -0.264 3.696 3.960 0.000 0.000 0.216 622 G C 1.391 176.035 174.900 -0.428 0.000 1.171 622 G CA 0.618 45.447 45.100 -0.450 0.000 0.775 622 G HN 0.311 nan 8.290 nan 0.000 0.543 623 Q N 0.313 119.863 119.800 -0.417 0.000 2.083 623 Q HA -0.029 4.311 4.340 0.000 0.000 0.198 623 Q C 2.849 178.540 176.000 -0.515 0.000 0.969 623 Q CA 1.400 56.986 55.803 -0.361 0.000 0.838 623 Q CB -0.716 27.875 28.738 -0.245 0.000 0.900 623 Q HN 0.449 nan 8.270 nan 0.000 0.436 624 G N 0.701 108.936 108.800 -0.941 0.000 2.402 624 G HA2 -0.197 3.763 3.960 0.000 0.000 0.216 624 G HA3 -0.197 3.763 3.960 0.000 0.000 0.216 624 G C 1.487 175.819 174.900 -0.945 0.000 1.162 624 G CA 0.518 44.574 45.100 -1.741 0.000 0.777 624 G HN 0.132 nan 8.290 nan 0.000 0.539 625 M N 0.277 119.456 119.600 -0.702 0.000 2.086 625 M HA 0.005 4.485 4.480 0.000 0.000 0.261 625 M C 2.458 178.606 176.300 -0.253 0.000 1.067 625 M CA 1.269 56.355 55.300 -0.357 0.000 1.116 625 M CB -0.995 31.304 32.600 -0.502 0.000 1.348 625 M HN 0.272 nan 8.290 nan 0.000 0.407 626 R N -0.343 119.959 120.500 -0.330 0.000 2.134 626 R HA -0.256 4.084 4.340 0.000 0.000 0.248 626 R C 2.168 178.366 176.300 -0.170 0.000 1.143 626 R CA 2.388 58.332 56.100 -0.259 0.000 0.957 626 R CB -0.787 29.369 30.300 -0.240 0.000 0.867 626 R HN 0.410 nan 8.270 nan 0.000 0.441 627 H N -1.063 117.873 119.070 -0.224 0.000 2.319 627 H HA -0.076 4.480 4.556 0.000 0.000 0.297 627 H C 1.814 177.042 175.328 -0.165 0.000 1.097 627 H CA 2.409 58.359 56.048 -0.164 0.000 1.285 627 H CB -0.691 28.982 29.762 -0.148 0.000 1.368 627 H HN 0.426 nan 8.280 nan 0.000 0.495 628 G N 0.038 108.783 108.800 -0.092 0.000 2.404 628 G HA2 -0.195 3.765 3.960 0.000 0.000 0.215 628 G HA3 -0.195 3.765 3.960 0.000 0.000 0.215 628 G C 1.786 176.294 174.900 -0.653 0.000 1.174 628 G CA 0.843 45.755 45.100 -0.313 0.000 0.780 628 G HN 0.400 nan 8.290 nan 0.000 0.537 629 L N 0.237 121.373 121.223 -0.145 0.000 2.013 629 L HA -0.145 4.196 4.340 0.000 0.000 0.212 629 L C 2.916 179.727 176.870 -0.097 0.000 1.073 629 L CA 1.655 56.499 54.840 0.007 0.000 0.753 629 L CB -0.574 41.490 42.059 0.008 0.000 0.890 629 L HN 0.305 nan 8.230 nan 0.000 0.432 630 E N 0.138 120.219 120.200 -0.198 0.000 2.085 630 E HA -0.252 4.098 4.350 0.000 0.000 0.194 630 E C 2.303 178.732 176.600 -0.284 0.000 0.994 630 E CA 1.257 57.526 56.400 -0.218 0.000 0.801 630 E CB -0.240 29.314 29.700 -0.243 0.000 0.743 630 E HN 0.528 nan 8.360 nan 0.000 0.453 631 A N 0.944 123.517 122.820 -0.411 0.000 1.902 631 A HA -0.234 4.086 4.320 0.000 0.000 0.217 631 A C 1.716 179.198 177.584 -0.170 0.000 1.181 631 A CA 1.739 53.562 52.037 -0.357 0.000 0.623 631 A CB -0.866 17.889 19.000 -0.409 0.000 0.818 631 A HN 0.339 nan 8.150 nan 0.000 0.443 632 H N -0.984 118.026 119.070 -0.100 0.000 2.299 632 H HA -0.051 4.505 4.556 0.000 0.000 0.302 632 H C 2.503 177.872 175.328 0.068 0.000 1.078 632 H CA 1.246 57.314 56.048 0.033 0.000 1.323 632 H CB -0.053 29.745 29.762 0.060 0.000 1.381 632 H HN 0.380 nan 8.280 nan 0.000 0.498 633 R N 0.628 121.109 120.500 -0.033 0.000 2.091 633 R HA -0.131 4.209 4.340 0.000 0.000 0.238 633 R C 2.465 178.574 176.300 -0.318 0.000 1.136 633 R CA 1.185 56.967 56.100 -0.530 0.000 0.959 633 R CB -0.229 29.815 30.300 -0.427 0.000 0.856 633 R HN 0.278 nan 8.270 nan 0.000 0.437 634 R N 0.880 121.243 120.500 -0.229 0.000 2.120 634 R HA -0.063 4.277 4.340 0.000 0.000 0.234 634 R C 0.963 177.155 176.300 -0.180 0.000 1.123 634 R CA 1.268 57.207 56.100 -0.269 0.000 0.975 634 R CB -0.006 30.021 30.300 -0.456 0.000 0.866 634 R HN 0.215 nan 8.270 nan 0.000 0.446 635 N N 1.129 119.778 118.700 -0.084 0.000 2.322 635 N HA -0.047 4.693 4.740 0.000 0.000 0.216 635 N C -0.371 175.232 175.510 0.155 0.000 1.144 635 N CA -0.036 53.035 53.050 0.035 0.000 0.830 635 N CB 0.246 38.768 38.487 0.058 0.000 1.034 635 N HN 0.194 nan 8.380 nan 0.000 0.484 636 R N 2.289 122.855 120.500 0.109 0.000 2.537 636 R HA 0.068 4.408 4.340 0.000 0.000 0.280 636 R C -1.556 174.823 176.300 0.131 0.000 1.058 636 R CA -0.774 55.424 56.100 0.163 0.000 1.057 636 R CB 0.725 31.076 30.300 0.085 0.000 0.973 636 R HN 0.002 nan 8.270 nan 0.000 0.438 637 P HA -0.030 nan 4.420 nan 0.000 0.261 637 P C 0.543 177.933 177.300 0.150 0.000 1.268 637 P CA 0.247 63.420 63.100 0.122 0.000 0.833 637 P CB -0.045 31.676 31.700 0.036 0.000 1.231 638 Y N 0.865 121.220 120.300 0.092 0.000 2.114 638 Y HA -0.177 4.373 4.550 0.000 0.000 0.282 638 Y C 1.125 177.106 175.900 0.134 0.000 1.165 638 Y CA 1.254 59.416 58.100 0.105 0.000 1.148 638 Y CB -0.549 37.969 38.460 0.095 0.000 0.972 638 Y HN 0.015 nan 8.280 nan 0.000 0.504 639 C N 2.088 121.587 119.300 0.331 0.000 2.330 639 C HA 0.363 4.823 4.460 0.000 0.000 0.344 639 C C 0.737 175.909 174.990 0.303 0.000 1.273 639 C CA -0.772 58.397 59.018 0.253 0.000 1.879 639 C CB -0.024 27.895 27.740 0.300 0.000 2.376 639 C HN 0.615 nan 8.230 nan 0.000 0.534 640 M N 4.431 124.102 119.600 0.118 0.000 2.347 640 M HA 0.321 4.801 4.480 0.000 0.000 0.302 640 M C 0.552 176.446 176.300 -0.676 0.000 1.051 640 M CA 0.210 55.518 55.300 0.014 0.000 0.988 640 M CB 0.003 32.745 32.600 0.238 0.000 1.475 640 M HN 0.977 nan 8.290 nan 0.000 0.530 641 G N -0.532 107.553 108.800 -1.192 0.000 2.519 641 G HA2 0.387 4.347 3.960 0.000 0.000 0.292 641 G HA3 0.387 4.347 3.960 0.000 0.000 0.292 641 G C -1.642 172.430 174.900 -1.380 0.000 1.507 641 G CA -0.376 43.648 45.100 -1.794 0.000 0.806 641 G HN -0.107 nan 8.290 nan 0.000 0.523 642 T N 0.461 114.513 114.554 -0.836 0.000 3.031 642 T HA 0.581 4.931 4.350 0.000 0.000 0.305 642 T C -1.031 173.620 174.700 -0.082 0.000 0.985 642 T CA -0.445 61.473 62.100 -0.303 0.000 1.008 642 T CB 0.457 69.473 68.868 0.246 0.000 1.005 642 T HN 0.551 nan 8.240 nan 0.000 0.444 643 L N 6.769 127.952 121.223 -0.067 0.000 2.318 643 L HA 0.524 4.864 4.340 0.000 0.000 0.277 643 L C -0.168 176.698 176.870 -0.008 0.000 1.008 643 L CA -1.359 53.445 54.840 -0.061 0.000 0.846 643 L CB 0.664 42.644 42.059 -0.132 0.000 1.220 643 L HN 0.701 nan 8.230 nan 0.000 0.423 644 Y N 1.568 121.868 120.300 0.000 0.000 2.379 644 Y HA 0.608 5.158 4.550 0.000 0.000 0.337 644 Y C 0.330 176.066 175.900 -0.273 0.000 1.238 644 Y CA -0.946 56.992 58.100 -0.269 0.000 1.405 644 Y CB 0.579 38.709 38.460 -0.550 0.000 1.310 644 Y HN 0.556 nan 8.280 nan 0.000 0.569 645 A N 5.038 127.751 122.820 -0.178 0.000 2.269 645 A HA 0.494 4.814 4.320 0.000 0.000 0.302 645 A C -0.456 177.136 177.584 0.013 0.000 1.266 645 A CA -0.579 51.370 52.037 -0.147 0.000 0.894 645 A CB -0.091 18.872 19.000 -0.061 0.000 1.147 645 A HN 0.874 nan 8.150 nan 0.000 0.537 646 Q N 1.923 121.745 119.800 0.036 0.000 2.565 646 Q HA 0.487 4.827 4.340 0.000 0.000 0.294 646 Q C -0.352 175.562 176.000 -0.144 0.000 1.005 646 Q CA -0.913 54.774 55.803 -0.193 0.000 0.771 646 Q CB 0.882 29.412 28.738 -0.347 0.000 1.486 646 Q HN 0.434 nan 8.270 nan 0.000 0.422 647 L N 1.061 122.110 121.223 -0.290 0.000 2.044 647 L HA 0.038 4.379 4.340 0.000 0.000 0.205 647 L C 0.081 176.824 176.870 -0.213 0.000 1.075 647 L CA 2.014 56.732 54.840 -0.204 0.000 0.747 647 L CB -0.210 41.716 42.059 -0.222 0.000 0.903 647 L HN 0.876 nan 8.230 nan 0.000 0.435 648 N N -2.260 116.245 118.700 -0.326 0.000 2.902 648 N HA 0.295 5.035 4.740 0.000 0.000 0.268 648 N C -1.664 173.587 175.510 -0.432 0.000 1.450 648 N CA -0.683 52.161 53.050 -0.344 0.000 0.819 648 N CB 1.129 39.418 38.487 -0.330 0.000 1.540 648 N HN -0.139 nan 8.380 nan 0.000 0.545 649 D N -0.906 119.293 120.400 -0.334 0.000 2.575 649 D HA 0.289 4.930 4.640 0.000 0.000 0.236 649 D C 0.309 176.536 176.300 -0.121 0.000 1.075 649 D CA -0.370 53.456 54.000 -0.290 0.000 0.860 649 D CB 2.191 42.878 40.800 -0.189 0.000 1.475 649 D HN 0.594 nan 8.370 nan 0.000 0.474 650 S N 0.616 116.272 115.700 -0.073 0.000 2.524 650 S HA 0.132 4.602 4.470 0.000 0.000 0.216 650 S C 0.453 175.041 174.600 -0.019 0.000 0.987 650 S CA -0.181 58.075 58.200 0.094 0.000 0.909 650 S CB 0.228 63.520 63.200 0.154 0.000 0.781 650 S HN 0.610 nan 8.310 nan 0.000 0.521 651 W N -0.571 120.315 121.300 -0.690 0.000 2.926 651 W HA 0.510 5.170 4.660 -0.000 0.000 0.361 651 W C -3.900 172.075 176.519 -0.908 0.000 1.195 651 W CA -2.426 53.971 57.345 -1.581 0.000 1.177 651 W CB -0.177 28.292 29.460 -1.652 0.000 1.453 651 W HN -0.236 nan 8.180 nan 0.000 0.571 652 P HA 0.345 nan 4.420 nan 0.000 0.276 652 P C -0.548 175.936 177.300 -1.361 0.000 1.264 652 P CA 0.421 63.090 63.100 -0.718 0.000 0.769 652 P CB 1.279 32.907 31.700 -0.120 0.000 0.840 653 V N 4.431 123.723 119.914 -1.036 0.000 3.204 653 V HA 0.266 4.386 4.120 0.000 0.000 0.298 653 V C -1.071 174.662 176.094 -0.601 0.000 1.328 653 V CA -0.961 60.704 62.300 -1.058 0.000 1.035 653 V CB 2.708 33.852 31.823 -1.131 0.000 1.095 653 V HN 0.035 nan 8.190 nan 0.000 0.442 654 V N 4.951 124.518 119.914 -0.578 0.000 2.455 654 V HA 0.734 4.854 4.120 0.000 0.000 0.273 654 V C 0.401 176.139 176.094 -0.593 0.000 1.045 654 V CA 0.941 62.872 62.300 -0.615 0.000 0.976 654 V CB 0.436 31.740 31.823 -0.865 0.000 0.993 654 V HN 1.179 nan 8.190 nan 0.000 0.475 655 S N 3.796 119.134 115.700 -0.604 0.000 2.724 655 S HA 0.411 4.881 4.470 0.000 0.000 0.278 655 S C -0.199 173.999 174.600 -0.670 0.000 1.190 655 S CA -0.826 56.955 58.200 -0.698 0.000 0.860 655 S CB 1.034 64.067 63.200 -0.278 0.000 1.206 655 S HN 0.487 nan 8.310 nan 0.000 0.507 656 W N 2.528 123.607 121.300 -0.369 0.000 3.180 656 W HA 0.191 4.851 4.660 0.000 0.000 0.254 656 W C 1.264 177.612 176.519 -0.285 0.000 1.318 656 W CA 0.334 57.460 57.345 -0.364 0.000 1.608 656 W CB -0.686 28.608 29.460 -0.277 0.000 1.124 656 W HN 0.800 nan 8.180 nan 0.000 0.694 657 S N 0.812 116.443 115.700 -0.115 0.000 2.566 657 S HA 0.016 4.486 4.470 0.000 0.000 0.280 657 S C 1.238 175.749 174.600 -0.148 0.000 1.343 657 S CA 0.360 58.472 58.200 -0.146 0.000 1.036 657 S CB 1.517 64.586 63.200 -0.218 0.000 0.866 657 S HN 0.128 nan 8.310 nan 0.000 0.526 658 S N 1.104 116.744 115.700 -0.101 0.000 2.502 658 S HA 0.342 4.812 4.470 0.000 0.000 0.215 658 S C 0.207 174.692 174.600 -0.193 0.000 1.009 658 S CA -0.453 57.662 58.200 -0.141 0.000 0.908 658 S CB -0.556 62.629 63.200 -0.026 0.000 0.801 658 S HN 0.700 nan 8.310 nan 0.000 0.505 659 I N 3.308 123.746 120.570 -0.221 0.000 2.478 659 I HA 0.340 4.510 4.170 0.000 0.000 0.287 659 I C -0.927 175.101 176.117 -0.147 0.000 1.042 659 I CA -0.959 60.204 61.300 -0.228 0.000 1.067 659 I CB 1.981 39.758 38.000 -0.373 0.000 1.233 659 I HN 0.125 nan 8.210 nan 0.000 0.431 660 D N 4.551 124.915 120.400 -0.059 0.000 2.384 660 D HA -0.098 4.542 4.640 0.000 0.000 0.244 660 D C 1.034 177.305 176.300 -0.047 0.000 1.251 660 D CA -0.045 53.934 54.000 -0.035 0.000 0.961 660 D CB 0.539 41.374 40.800 0.058 0.000 1.116 660 D HN 0.549 nan 8.370 nan 0.000 0.484 661 Y N 0.057 120.232 120.300 -0.208 0.000 2.193 661 Y HA -0.244 4.306 4.550 0.000 0.000 0.285 661 Y C 1.211 176.902 175.900 -0.349 0.000 1.166 661 Y CA 1.530 59.424 58.100 -0.343 0.000 1.181 661 Y CB -0.402 37.748 38.460 -0.518 0.000 0.976 661 Y HN 0.423 nan 8.280 nan 0.000 0.520 662 Y N -0.031 120.227 120.300 -0.071 0.000 2.529 662 Y HA 0.252 4.802 4.550 0.000 0.000 0.290 662 Y C 1.932 177.799 175.900 -0.056 0.000 1.177 662 Y CA 0.426 58.471 58.100 -0.091 0.000 1.305 662 Y CB -0.194 38.307 38.460 0.068 0.000 1.047 662 Y HN 0.238 nan 8.280 nan 0.000 0.522 663 G N 0.014 108.830 108.800 0.026 0.000 2.143 663 G HA2 -0.280 3.680 3.960 0.000 0.000 0.249 663 G HA3 -0.280 3.680 3.960 0.000 0.000 0.249 663 G C -0.219 174.782 174.900 0.170 0.000 0.981 663 G CA -0.283 44.847 45.100 0.051 0.000 0.665 663 G HN 0.310 nan 8.290 nan 0.000 0.528 664 N N 0.400 119.220 118.700 0.200 0.000 2.452 664 N HA 0.227 4.968 4.740 0.000 0.000 0.266 664 N C 0.071 175.766 175.510 0.308 0.000 1.175 664 N CA 0.067 53.281 53.050 0.274 0.000 0.945 664 N CB 0.409 39.059 38.487 0.272 0.000 1.063 664 N HN 0.239 nan 8.380 nan 0.000 0.472 665 W N 2.568 123.894 121.300 0.044 0.000 2.308 665 W HA 0.141 4.801 4.660 -0.000 0.000 0.324 665 W C 1.171 177.725 176.519 0.059 0.000 1.387 665 W CA -0.250 57.052 57.345 -0.073 0.000 1.250 665 W CB 0.057 29.343 29.460 -0.288 0.000 1.257 665 W HN 0.222 nan 8.180 nan 0.000 0.554 666 K N 2.035 122.488 120.400 0.087 0.000 2.140 666 K HA 0.401 4.721 4.320 0.000 0.000 0.237 666 K C 1.278 177.746 176.600 -0.219 0.000 1.045 666 K CA -0.066 56.149 56.287 -0.119 0.000 0.896 666 K CB 0.526 32.879 32.500 -0.245 0.000 1.122 666 K HN 0.440 nan 8.250 nan 0.000 0.503 667 A N 0.929 123.186 122.820 -0.938 0.000 1.940 667 A HA -0.182 4.138 4.320 0.000 0.000 0.219 667 A C 1.989 179.368 177.584 -0.342 0.000 1.176 667 A CA 1.553 53.025 52.037 -0.942 0.000 0.631 667 A CB -0.562 17.598 19.000 -1.400 0.000 0.814 667 A HN 0.622 nan 8.150 nan 0.000 0.446 668 L N -0.888 120.086 121.223 -0.414 0.000 2.081 668 L HA -0.210 4.130 4.340 0.000 0.000 0.212 668 L C 2.203 178.825 176.870 -0.414 0.000 1.080 668 L CA 2.802 57.385 54.840 -0.428 0.000 0.754 668 L CB -0.870 40.901 42.059 -0.480 0.000 0.893 668 L HN 0.598 nan 8.230 nan 0.000 0.433 669 H N -2.223 116.593 119.070 -0.423 0.000 2.395 669 H HA -0.120 4.436 4.556 0.000 0.000 0.299 669 H C 1.864 176.888 175.328 -0.506 0.000 1.070 669 H CA 2.057 57.732 56.048 -0.622 0.000 1.356 669 H CB -0.129 29.035 29.762 -0.997 0.000 1.401 669 H HN 0.448 nan 8.280 nan 0.000 0.524 670 Y N 0.217 120.534 120.300 0.028 0.000 2.181 670 Y HA -0.218 4.332 4.550 0.000 0.000 0.288 670 Y C 2.575 178.439 175.900 -0.060 0.000 1.146 670 Y CA 1.216 59.418 58.100 0.169 0.000 1.164 670 Y CB -0.160 38.478 38.460 0.297 0.000 0.982 670 Y HN 0.271 nan 8.280 nan 0.000 0.515 671 Q N -0.272 119.502 119.800 -0.044 0.000 2.119 671 Q HA -0.103 4.237 4.340 0.000 0.000 0.201 671 Q C 2.602 178.396 176.000 -0.342 0.000 0.972 671 Q CA 1.236 56.934 55.803 -0.175 0.000 0.847 671 Q CB -0.618 27.971 28.738 -0.248 0.000 0.903 671 Q HN 0.532 nan 8.270 nan 0.000 0.433 672 A N 1.749 124.247 122.820 -0.538 0.000 1.902 672 A HA -0.217 4.103 4.320 0.000 0.000 0.217 672 A C 2.151 179.355 177.584 -0.635 0.000 1.181 672 A CA 1.793 53.336 52.037 -0.824 0.000 0.623 672 A CB -0.489 17.977 19.000 -0.889 0.000 0.818 672 A HN 0.312 nan 8.150 nan 0.000 0.443 673 K N -0.304 119.860 120.400 -0.394 0.000 2.044 673 K HA -0.224 4.096 4.320 0.000 0.000 0.210 673 K C 2.257 178.839 176.600 -0.030 0.000 1.049 673 K CA 1.789 58.001 56.287 -0.126 0.000 0.927 673 K CB -0.215 32.304 32.500 0.032 0.000 0.713 673 K HN 0.461 nan 8.250 nan 0.000 0.443 674 R N -0.143 120.332 120.500 -0.042 0.000 2.066 674 R HA -0.064 4.277 4.340 0.000 0.000 0.232 674 R C 2.427 178.705 176.300 -0.036 0.000 1.131 674 R CA 1.316 57.411 56.100 -0.009 0.000 0.955 674 R CB -0.397 29.903 30.300 0.000 0.000 0.851 674 R HN 0.280 nan 8.270 nan 0.000 0.432 675 A N 0.322 123.057 122.820 -0.142 0.000 2.070 675 A HA -0.103 4.217 4.320 0.000 0.000 0.220 675 A C 1.256 178.898 177.584 0.097 0.000 1.159 675 A CA 1.078 53.045 52.037 -0.116 0.000 0.656 675 A CB -0.231 18.608 19.000 -0.268 0.000 0.800 675 A HN 0.199 nan 8.150 nan 0.000 0.453 676 F N -0.369 119.560 119.950 -0.035 0.000 2.727 676 F HA 0.450 4.978 4.527 0.000 0.000 0.302 676 F C 1.435 177.227 175.800 -0.013 0.000 1.097 676 F CA -0.922 57.067 58.000 -0.019 0.000 1.330 676 F CB -1.025 37.961 39.000 -0.023 0.000 1.084 676 F HN 0.170 nan 8.300 nan 0.000 0.578 677 A N 1.509 124.426 122.820 0.162 0.000 2.540 677 A HA 0.139 4.459 4.320 0.000 0.000 0.239 677 A C -1.149 176.486 177.584 0.085 0.000 1.061 677 A CA -0.745 51.355 52.037 0.104 0.000 0.758 677 A CB -0.228 18.815 19.000 0.072 0.000 0.991 677 A HN 0.076 nan 8.150 nan 0.000 0.502 678 P HA -0.127 nan 4.420 nan 0.000 0.217 678 P C 0.125 177.465 177.300 0.067 0.000 1.158 678 P CA 1.212 64.359 63.100 0.077 0.000 0.887 678 P CB 0.023 31.776 31.700 0.089 0.000 0.792 679 V N 0.234 120.182 119.914 0.056 0.000 2.384 679 V HA 0.332 4.452 4.120 0.000 0.000 0.287 679 V C -0.266 175.847 176.094 0.031 0.000 1.020 679 V CA -0.690 61.634 62.300 0.040 0.000 0.850 679 V CB 1.474 33.318 31.823 0.035 0.000 0.987 679 V HN -0.144 nan 8.190 nan 0.000 0.436 680 L N 7.025 128.262 121.223 0.024 0.000 2.356 680 L HA 0.661 5.001 4.340 0.000 0.000 0.277 680 L C -0.506 176.375 176.870 0.019 0.000 0.996 680 L CA -0.040 54.811 54.840 0.018 0.000 0.822 680 L CB 1.607 43.671 42.059 0.009 0.000 1.256 680 L HN 0.545 nan 8.230 nan 0.000 0.413 681 I N 4.941 125.521 120.570 0.017 0.000 2.352 681 I HA 0.287 4.457 4.170 0.000 0.000 0.290 681 I C 0.188 176.323 176.117 0.029 0.000 1.036 681 I CA 0.021 61.335 61.300 0.024 0.000 1.336 681 I CB 0.667 38.673 38.000 0.010 0.000 1.407 681 I HN 0.639 nan 8.210 nan 0.000 0.497 682 N N 8.643 127.375 118.700 0.053 0.000 2.626 682 N HA 0.341 5.081 4.740 0.000 0.000 0.249 682 N C -2.756 172.797 175.510 0.071 0.000 1.021 682 N CA -1.610 51.463 53.050 0.038 0.000 0.886 682 N CB 1.630 40.112 38.487 -0.009 0.000 1.149 682 N HN 0.214 nan 8.380 nan 0.000 0.517 683 P HA 0.189 nan 4.420 nan 0.000 0.276 683 P C -0.768 176.499 177.300 -0.055 0.000 1.243 683 P CA -0.341 62.723 63.100 -0.060 0.000 0.768 683 P CB 1.036 32.592 31.700 -0.241 0.000 0.856 684 I N 2.356 122.929 120.570 0.007 0.000 2.447 684 I HA 0.338 4.508 4.170 0.000 0.000 0.287 684 I C -0.787 175.383 176.117 0.088 0.000 1.023 684 I CA -0.856 60.478 61.300 0.057 0.000 1.083 684 I CB 1.775 39.784 38.000 0.016 0.000 1.245 684 I HN 0.260 nan 8.210 nan 0.000 0.434 685 Q N 6.839 126.734 119.800 0.158 0.000 2.333 685 Q HA 0.590 4.930 4.340 0.000 0.000 0.265 685 Q C -1.611 174.493 176.000 0.174 0.000 0.989 685 Q CA -0.540 55.379 55.803 0.193 0.000 0.842 685 Q CB 1.199 30.132 28.738 0.326 0.000 1.262 685 Q HN 0.737 nan 8.270 nan 0.000 0.451 686 Q N 2.520 122.406 119.800 0.144 0.000 2.416 686 Q HA 0.316 4.656 4.340 0.000 0.000 0.281 686 Q C -0.986 175.073 176.000 0.099 0.000 1.067 686 Q CA -0.881 54.990 55.803 0.113 0.000 0.809 686 Q CB 1.854 30.650 28.738 0.097 0.000 1.418 686 Q HN 0.866 nan 8.270 nan 0.000 0.411 687 N N 1.707 120.454 118.700 0.079 0.000 2.714 687 N HA -0.253 4.487 4.740 0.000 0.000 0.252 687 N C -0.867 174.686 175.510 0.073 0.000 1.014 687 N CA 0.745 53.834 53.050 0.065 0.000 0.735 687 N CB -0.710 37.812 38.487 0.057 0.000 0.924 687 N HN 0.889 nan 8.380 nan 0.000 0.540 688 D N -1.418 119.033 120.400 0.085 0.000 2.983 688 D HA -0.206 4.435 4.640 0.000 0.000 0.225 688 D C -0.750 175.621 176.300 0.118 0.000 1.174 688 D CA 1.758 55.813 54.000 0.092 0.000 0.831 688 D CB -0.814 40.022 40.800 0.061 0.000 1.104 688 D HN 0.505 nan 8.370 nan 0.000 0.421 689 S N -0.996 114.785 115.700 0.135 0.000 2.542 689 S HA 0.699 5.169 4.470 0.000 0.000 0.293 689 S C -1.318 173.397 174.600 0.192 0.000 1.089 689 S CA -0.940 57.352 58.200 0.153 0.000 0.961 689 S CB 1.356 64.616 63.200 0.101 0.000 1.062 689 S HN 0.278 nan 8.310 nan 0.000 0.483 690 L N 3.632 125.002 121.223 0.244 0.000 2.296 690 L HA 0.720 5.060 4.340 0.000 0.000 0.286 690 L C -0.460 176.517 176.870 0.179 0.000 1.023 690 L CA 0.314 55.300 54.840 0.243 0.000 0.812 690 L CB 1.591 43.892 42.059 0.404 0.000 1.223 690 L HN 0.632 nan 8.230 nan 0.000 0.421 691 S N 3.102 118.896 115.700 0.155 0.000 2.568 691 S HA 0.809 5.279 4.470 0.000 0.000 0.302 691 S C -1.034 173.677 174.600 0.185 0.000 1.082 691 S CA -0.600 57.690 58.200 0.150 0.000 1.009 691 S CB 2.011 65.329 63.200 0.197 0.000 1.069 691 S HN 0.412 nan 8.310 nan 0.000 0.500 692 V N 2.930 122.925 119.914 0.134 0.000 2.444 692 V HA 0.437 4.557 4.120 0.000 0.000 0.294 692 V C -1.459 174.651 176.094 0.028 0.000 1.022 692 V CA -0.637 61.739 62.300 0.128 0.000 0.850 692 V CB 0.773 32.655 31.823 0.099 0.000 0.992 692 V HN 0.849 nan 8.190 nan 0.000 0.426 693 Y N 4.376 124.679 120.300 0.004 0.000 2.387 693 Y HA 0.670 5.221 4.550 0.000 0.000 0.336 693 Y C 0.050 175.942 175.900 -0.013 0.000 1.067 693 Y CA -0.825 57.272 58.100 -0.005 0.000 1.114 693 Y CB 1.869 40.317 38.460 -0.020 0.000 1.208 693 Y HN 0.427 nan 8.280 nan 0.000 0.458 694 L N 5.209 126.500 121.223 0.112 0.000 2.305 694 L HA 0.544 4.884 4.340 0.000 0.000 0.284 694 L C -0.863 176.051 176.870 0.073 0.000 1.013 694 L CA -0.474 54.406 54.840 0.066 0.000 0.819 694 L CB 1.183 43.257 42.059 0.025 0.000 1.227 694 L HN 0.512 nan 8.230 nan 0.000 0.417 695 I N 2.322 122.920 120.570 0.048 0.000 2.389 695 I HA 0.355 4.525 4.170 0.000 0.000 0.288 695 I C -0.169 175.957 176.117 0.014 0.000 0.999 695 I CA -0.217 61.094 61.300 0.017 0.000 1.129 695 I CB 2.004 39.988 38.000 -0.026 0.000 1.288 695 I HN 0.503 nan 8.210 nan 0.000 0.444 696 S N 3.977 119.690 115.700 0.022 0.000 2.532 696 S HA 0.364 4.834 4.470 0.000 0.000 0.299 696 S C -0.239 174.406 174.600 0.074 0.000 1.105 696 S CA -0.618 57.610 58.200 0.047 0.000 1.018 696 S CB 1.326 64.557 63.200 0.051 0.000 1.021 696 S HN 0.562 nan 8.310 nan 0.000 0.483 697 D N 3.019 123.485 120.400 0.110 0.000 2.388 697 D HA 0.185 4.825 4.640 0.000 0.000 0.221 697 D C 0.320 176.827 176.300 0.345 0.000 1.133 697 D CA 0.028 54.159 54.000 0.218 0.000 0.831 697 D CB 0.380 41.276 40.800 0.159 0.000 0.962 697 D HN 0.464 nan 8.370 nan 0.000 0.502 698 R N 0.255 120.876 120.500 0.202 0.000 2.582 698 R HA 0.285 4.625 4.340 0.000 0.000 0.271 698 R C 1.499 177.825 176.300 0.044 0.000 1.078 698 R CA -0.301 55.889 56.100 0.151 0.000 1.127 698 R CB 1.338 31.689 30.300 0.084 0.000 1.038 698 R HN -0.007 nan 8.270 nan 0.000 0.500 699 L N 0.856 122.017 121.223 -0.104 0.000 2.341 699 L HA -0.029 4.311 4.340 0.000 0.000 0.214 699 L C 0.569 177.355 176.870 -0.140 0.000 1.115 699 L CA 0.569 55.242 54.840 -0.278 0.000 0.820 699 L CB -0.305 41.484 42.059 -0.449 0.000 0.944 699 L HN 0.705 nan 8.230 nan 0.000 0.452 700 D N -1.243 119.116 120.400 -0.067 0.000 2.228 700 D HA 0.159 4.799 4.640 0.000 0.000 0.247 700 D C -0.282 176.012 176.300 -0.011 0.000 0.995 700 D CA -0.402 53.576 54.000 -0.037 0.000 0.903 700 D CB 1.360 42.147 40.800 -0.022 0.000 1.205 700 D HN -0.282 nan 8.370 nan 0.000 0.459 701 T N 1.271 115.820 114.554 -0.007 0.000 2.910 701 T HA 0.308 4.658 4.350 0.000 0.000 0.293 701 T C 0.388 175.095 174.700 0.011 0.000 1.015 701 T CA -0.307 61.796 62.100 0.004 0.000 1.094 701 T CB 0.535 69.404 68.868 0.002 0.000 0.968 701 T HN 0.257 nan 8.240 nan 0.000 0.521 702 M N 2.800 122.411 119.600 0.017 0.000 2.268 702 M HA 0.410 4.890 4.480 0.000 0.000 0.344 702 M C 0.051 176.363 176.300 0.019 0.000 1.106 702 M CA -0.460 54.853 55.300 0.021 0.000 1.010 702 M CB 1.656 34.271 32.600 0.026 0.000 1.649 702 M HN 0.576 nan 8.290 nan 0.000 0.443 703 E N 1.095 121.307 120.200 0.020 0.000 2.320 703 E HA 0.333 4.683 4.350 0.000 0.000 0.264 703 E C -0.957 175.658 176.600 0.024 0.000 0.923 703 E CA -0.783 55.628 56.400 0.019 0.000 0.796 703 E CB 1.634 31.344 29.700 0.016 0.000 1.262 703 E HN 0.552 nan 8.360 nan 0.000 0.428 704 Q N 0.870 120.686 119.800 0.025 0.000 2.439 704 Q HA -0.219 4.121 4.340 0.000 0.000 0.325 704 Q C -0.472 175.554 176.000 0.044 0.000 1.372 704 Q CA 0.430 56.253 55.803 0.034 0.000 0.909 704 Q CB -1.086 27.669 28.738 0.028 0.000 1.167 704 Q HN 0.342 nan 8.270 nan 0.000 0.418 705 M N -0.042 119.581 119.600 0.038 0.000 2.444 705 M HA 0.407 4.887 4.480 0.000 0.000 0.319 705 M C 0.506 176.827 176.300 0.034 0.000 1.183 705 M CA -0.044 55.275 55.300 0.032 0.000 1.032 705 M CB 1.469 34.077 32.600 0.014 0.000 1.569 705 M HN -0.011 nan 8.290 nan 0.000 0.468 706 T N 2.457 117.022 114.554 0.018 0.000 2.812 706 T HA 0.533 4.883 4.350 0.000 0.000 0.282 706 T C -0.920 173.727 174.700 -0.089 0.000 0.990 706 T CA -0.551 61.527 62.100 -0.036 0.000 0.960 706 T CB 1.473 70.359 68.868 0.029 0.000 0.948 706 T HN 0.473 nan 8.240 nan 0.000 0.438 707 L N 3.598 124.737 121.223 -0.140 0.000 2.276 707 L HA 0.588 4.928 4.340 0.000 0.000 0.286 707 L C -0.031 176.720 176.870 -0.198 0.000 1.061 707 L CA -0.080 54.674 54.840 -0.145 0.000 0.807 707 L CB 0.756 42.730 42.059 -0.143 0.000 1.177 707 L HN 0.659 nan 8.230 nan 0.000 0.429 708 E N 5.567 125.677 120.200 -0.149 0.000 2.210 708 E HA 0.558 4.908 4.350 0.000 0.000 0.266 708 E C -1.546 174.986 176.600 -0.113 0.000 0.883 708 E CA -0.619 55.696 56.400 -0.141 0.000 0.761 708 E CB 1.299 30.945 29.700 -0.089 0.000 1.156 708 E HN 0.724 nan 8.360 nan 0.000 0.412 709 M N 3.891 123.416 119.600 -0.126 0.000 2.464 709 M HA 0.427 4.907 4.480 0.000 0.000 0.308 709 M C -1.037 175.256 176.300 -0.010 0.000 1.127 709 M CA -0.796 54.462 55.300 -0.069 0.000 0.913 709 M CB 2.342 34.866 32.600 -0.125 0.000 1.689 709 M HN 0.365 nan 8.290 nan 0.000 0.445 710 K N 0.888 121.312 120.400 0.039 0.000 2.502 710 K HA 0.748 5.068 4.320 0.000 0.000 0.257 710 K C -1.698 174.932 176.600 0.051 0.000 0.938 710 K CA -0.958 55.361 56.287 0.053 0.000 0.819 710 K CB 1.982 34.491 32.500 0.015 0.000 1.333 710 K HN 0.442 nan 8.250 nan 0.000 0.434 711 V N 2.354 122.302 119.914 0.057 0.000 2.498 711 V HA 0.340 4.460 4.120 0.000 0.000 0.279 711 V C -0.496 175.481 176.094 -0.195 0.000 1.048 711 V CA -0.601 61.676 62.300 -0.038 0.000 0.967 711 V CB 1.292 33.108 31.823 -0.012 0.000 0.988 711 V HN 0.574 nan 8.190 nan 0.000 0.473 712 V N 4.293 123.930 119.914 -0.463 0.000 2.638 712 V HA 0.399 4.519 4.120 0.000 0.000 0.306 712 V C -0.447 175.296 176.094 -0.585 0.000 1.052 712 V CA -0.906 61.062 62.300 -0.553 0.000 0.885 712 V CB 2.118 33.507 31.823 -0.724 0.000 0.999 712 V HN 1.053 nan 8.190 nan 0.000 0.424 713 D N 2.893 123.136 120.400 -0.262 0.000 2.411 713 D HA 0.185 4.825 4.640 0.000 0.000 0.251 713 D C 0.623 177.017 176.300 0.156 0.000 1.201 713 D CA -0.583 53.328 54.000 -0.149 0.000 0.996 713 D CB 0.519 41.235 40.800 -0.139 0.000 1.101 713 D HN 0.231 nan 8.370 nan 0.000 0.504 714 F N -0.645 119.350 119.950 0.076 0.000 2.771 714 F HA 0.046 4.573 4.527 0.000 0.000 0.299 714 F C 1.308 177.177 175.800 0.115 0.000 1.177 714 F CA 0.126 58.233 58.000 0.178 0.000 1.450 714 F CB -0.553 38.551 39.000 0.173 0.000 1.114 714 F HN 0.319 nan 8.300 nan 0.000 0.587 715 D N -1.211 119.327 120.400 0.230 0.000 2.407 715 D HA 0.203 4.843 4.640 0.000 0.000 0.208 715 D C 2.089 178.453 176.300 0.106 0.000 1.083 715 D CA 0.976 55.056 54.000 0.134 0.000 0.844 715 D CB 0.876 41.728 40.800 0.087 0.000 0.967 715 D HN 0.320 nan 8.370 nan 0.000 0.506 716 G N 1.726 110.594 108.800 0.112 0.000 2.184 716 G HA2 -0.226 3.735 3.960 0.000 0.000 0.206 716 G HA3 -0.226 3.735 3.960 0.000 0.000 0.206 716 G C 0.423 175.342 174.900 0.031 0.000 0.995 716 G CA -0.253 44.900 45.100 0.089 0.000 0.651 716 G HN 0.231 nan 8.290 nan 0.000 0.511 717 K N 1.770 122.175 120.400 0.008 0.000 2.297 717 K HA 0.442 4.762 4.320 0.000 0.000 0.286 717 K C -0.049 176.519 176.600 -0.053 0.000 1.053 717 K CA -0.053 56.226 56.287 -0.013 0.000 0.940 717 K CB 0.253 32.747 32.500 -0.010 0.000 1.019 717 K HN 0.071 nan 8.250 nan 0.000 0.475 718 T N 5.585 120.114 114.554 -0.041 0.000 2.834 718 T HA 0.158 4.508 4.350 0.000 0.000 0.298 718 T C 0.178 174.851 174.700 -0.045 0.000 0.966 718 T CA -0.218 61.852 62.100 -0.050 0.000 1.141 718 T CB 0.095 68.950 68.868 -0.022 0.000 0.905 718 T HN 0.399 nan 8.240 nan 0.000 0.535 719 L N 3.681 124.868 121.223 -0.060 0.000 2.275 719 L HA 0.612 4.952 4.340 0.000 0.000 0.288 719 L C 1.231 178.103 176.870 0.004 0.000 1.046 719 L CA -0.579 54.233 54.840 -0.046 0.000 0.805 719 L CB 0.321 42.326 42.059 -0.091 0.000 1.193 719 L HN 0.950 nan 8.230 nan 0.000 0.426 720 G N 1.698 110.509 108.800 0.018 0.000 2.642 720 G HA2 -0.102 3.858 3.960 0.000 0.000 0.231 720 G HA3 -0.102 3.858 3.960 0.000 0.000 0.231 720 G C -0.385 174.538 174.900 0.038 0.000 1.338 720 G CA -0.063 45.066 45.100 0.049 0.000 0.883 720 G HN 0.862 nan 8.290 nan 0.000 0.570 721 K N 0.102 120.528 120.400 0.043 0.000 2.123 721 K HA 0.777 5.097 4.320 0.000 0.000 0.248 721 K C 0.588 177.201 176.600 0.023 0.000 0.969 721 K CA 0.163 56.464 56.287 0.023 0.000 0.882 721 K CB 0.559 nan 32.500 nan 0.000 1.080 721 K HN 0.884 nan 8.250 nan 0.000 0.441 722 K N 0.830 121.235 120.400 0.008 0.000 2.448 722 K HA 0.250 4.570 4.320 0.000 0.000 0.278 722 K C -0.454 176.124 176.600 -0.037 0.000 1.009 722 K CA 0.027 56.309 56.287 -0.009 0.000 0.995 722 K CB 0.098 32.592 32.500 -0.010 0.000 0.917 722 K HN 0.488 nan 8.250 nan 0.000 0.481 723 I N 2.852 123.376 120.570 -0.077 0.000 2.359 723 I HA 0.092 4.262 4.170 0.000 0.000 0.294 723 I C 0.070 176.073 176.117 -0.190 0.000 0.987 723 I CA -0.358 60.856 61.300 -0.144 0.000 1.225 723 I CB 1.260 39.116 38.000 -0.241 0.000 1.366 723 I HN 0.310 nan 8.210 nan 0.000 0.466 724 Q N 5.550 125.237 119.800 -0.190 0.000 2.340 724 Q HA 0.608 4.948 4.340 0.000 0.000 0.268 724 Q C -1.288 174.512 176.000 -0.334 0.000 1.031 724 Q CA -0.803 54.817 55.803 -0.305 0.000 0.804 724 Q CB 3.097 31.664 28.738 -0.285 0.000 1.286 724 Q HN 0.408 nan 8.270 nan 0.000 0.448 725 V N 3.616 123.298 119.914 -0.385 0.000 2.376 725 V HA 0.326 4.446 4.120 0.000 0.000 0.287 725 V C -0.219 175.698 176.094 -0.295 0.000 1.015 725 V CA -0.721 61.435 62.300 -0.241 0.000 0.834 725 V CB 1.130 32.884 31.823 -0.115 0.000 1.001 725 V HN 0.682 nan 8.190 nan 0.000 0.428 726 H N 2.112 121.173 119.070 -0.014 0.000 2.570 726 H HA 0.438 4.994 4.556 0.000 0.000 0.342 726 H C 0.827 176.151 175.328 -0.008 0.000 1.245 726 H CA 0.002 56.042 56.048 -0.012 0.000 1.318 726 H CB 1.715 31.471 29.762 -0.011 0.000 1.694 726 H HN 0.719 nan 8.280 nan 0.000 0.592 727 S N -0.082 115.708 115.700 0.150 0.000 3.641 727 S HA -0.172 4.298 4.470 0.000 0.000 0.346 727 S C 0.198 174.823 174.600 0.043 0.000 1.074 727 S CA 0.095 58.339 58.200 0.073 0.000 1.026 727 S CB -1.930 61.305 63.200 0.057 0.000 0.908 727 S HN 0.352 nan 8.310 nan 0.000 0.479 728 L N 0.961 122.205 121.223 0.034 0.000 2.312 728 L HA 0.509 4.849 4.340 0.000 0.000 0.281 728 L C 0.597 177.476 176.870 0.014 0.000 1.070 728 L CA -0.159 54.690 54.840 0.014 0.000 0.805 728 L CB 1.085 43.143 42.059 -0.002 0.000 1.174 728 L HN 0.296 nan 8.230 nan 0.000 0.434 729 E N 1.886 122.092 120.200 0.010 0.000 2.179 729 E HA 0.430 4.780 4.350 0.000 0.000 0.275 729 E C -1.417 175.189 176.600 0.010 0.000 0.945 729 E CA -0.683 55.723 56.400 0.011 0.000 0.792 729 E CB 1.881 31.587 29.700 0.010 0.000 1.125 729 E HN 0.304 nan 8.360 nan 0.000 0.397 730 V N 6.400 126.322 119.914 0.014 0.000 2.266 730 V HA 0.297 4.417 4.120 0.000 0.000 0.271 730 V C -2.327 173.779 176.094 0.020 0.000 1.032 730 V CA -1.838 60.473 62.300 0.018 0.000 0.806 730 V CB 0.557 32.392 31.823 0.020 0.000 1.052 730 V HN 0.679 nan 8.190 nan 0.000 0.449 731 P HA 0.205 nan 4.420 nan 0.000 0.271 731 P C 0.213 177.528 177.300 0.025 0.000 1.216 731 P CA 0.114 63.225 63.100 0.019 0.000 0.776 731 P CB 0.646 32.358 31.700 0.019 0.000 0.881 732 A N 3.413 126.243 122.820 0.017 0.000 2.587 732 A HA -0.037 4.283 4.320 0.000 0.000 0.235 732 A C 0.838 178.451 177.584 0.048 0.000 1.044 732 A CA 0.313 52.363 52.037 0.022 0.000 0.754 732 A CB -0.978 18.010 19.000 -0.019 0.000 0.968 732 A HN 0.735 nan 8.150 nan 0.000 0.509 733 N N -0.479 118.275 118.700 0.090 0.000 2.727 733 N HA -0.153 4.587 4.740 0.000 0.000 0.249 733 N C 0.043 175.606 175.510 0.089 0.000 1.048 733 N CA 1.694 54.821 53.050 0.130 0.000 0.714 733 N CB -1.463 37.120 38.487 0.160 0.000 0.959 733 N HN 1.309 nan 8.380 nan 0.000 0.544 734 T N -4.245 110.345 114.554 0.060 0.000 2.896 734 T HA 0.649 4.999 4.350 0.000 0.000 0.297 734 T C -0.305 174.419 174.700 0.040 0.000 1.108 734 T CA -0.696 61.434 62.100 0.051 0.000 1.004 734 T CB 2.619 71.515 68.868 0.047 0.000 1.159 734 T HN 0.061 nan 8.240 nan 0.000 0.499 735 S N 0.838 116.571 115.700 0.054 0.000 2.498 735 S HA 0.624 5.094 4.470 0.000 0.000 0.317 735 S C -1.099 173.597 174.600 0.160 0.000 1.090 735 S CA -0.751 57.505 58.200 0.093 0.000 1.089 735 S CB 0.142 63.376 63.200 0.056 0.000 0.997 735 S HN 0.717 nan 8.310 nan 0.000 0.470 736 K N 2.938 123.427 120.400 0.148 0.000 2.468 736 K HA 0.366 4.686 4.320 0.000 0.000 0.252 736 K C -1.127 175.387 176.600 -0.142 0.000 0.932 736 K CA -0.712 55.605 56.287 0.050 0.000 0.794 736 K CB 1.765 34.269 32.500 0.007 0.000 1.241 736 K HN 0.686 nan 8.250 nan 0.000 0.428 737 C N 3.329 122.347 119.300 -0.469 0.000 2.576 737 C HA 0.218 4.678 4.460 0.000 0.000 0.401 737 C C 1.541 176.327 174.990 -0.339 0.000 1.314 737 C CA -0.199 58.324 59.018 -0.825 0.000 1.855 737 C CB -0.980 26.185 27.740 -0.957 0.000 2.537 737 C HN 0.705 nan 8.230 nan 0.000 0.578 738 V N 3.451 123.227 119.914 -0.230 0.000 3.432 738 V HA 0.414 4.534 4.120 0.000 0.000 0.298 738 V C -0.269 175.842 176.094 0.028 0.000 1.464 738 V CA -0.066 62.186 62.300 -0.081 0.000 1.046 738 V CB -0.844 30.952 31.823 -0.045 0.000 0.887 738 V HN 0.830 nan 8.190 nan 0.000 0.441 739 Y N 0.503 120.701 120.300 -0.169 0.000 2.474 739 Y HA 0.697 5.247 4.550 0.000 0.000 0.326 739 Y C -0.916 174.917 175.900 -0.112 0.000 1.160 739 Y CA -0.984 57.039 58.100 -0.128 0.000 1.056 739 Y CB 1.489 39.883 38.460 -0.110 0.000 1.330 739 Y HN 0.210 nan 8.280 nan 0.000 0.447 740 R N 4.248 124.398 120.500 -0.584 0.000 2.564 740 R HA 0.915 5.255 4.340 0.000 0.000 0.284 740 R C -2.100 173.843 176.300 -0.595 0.000 1.031 740 R CA -0.685 55.177 56.100 -0.396 0.000 0.904 740 R CB 1.701 31.871 30.300 -0.216 0.000 1.199 740 R HN 0.846 nan 8.270 nan 0.000 0.443 741 A N 4.176 126.816 122.820 -0.300 0.000 2.465 741 A HA 0.368 4.688 4.320 0.000 0.000 0.292 741 A C -1.188 176.455 177.584 0.099 0.000 1.041 741 A CA -0.856 51.062 52.037 -0.198 0.000 0.718 741 A CB 1.392 20.183 19.000 -0.349 0.000 1.266 741 A HN 0.710 nan 8.150 nan 0.000 0.403 742 K N 1.580 122.029 120.400 0.082 0.000 2.414 742 K HA 0.199 4.519 4.320 0.000 0.000 0.272 742 K C 0.569 177.346 176.600 0.294 0.000 0.993 742 K CA -0.088 56.288 56.287 0.148 0.000 0.964 742 K CB 0.585 33.133 32.500 0.080 0.000 0.925 742 K HN 0.659 nan 8.250 nan 0.000 0.487 743 L N 1.029 122.390 121.223 0.229 0.000 2.209 743 L HA -0.060 4.280 4.340 0.000 0.000 0.207 743 L C 0.635 177.559 176.870 0.091 0.000 1.094 743 L CA 0.372 55.307 54.840 0.159 0.000 0.790 743 L CB -0.160 41.907 42.059 0.013 0.000 0.932 743 L HN 0.685 nan 8.230 nan 0.000 0.447 744 D N 0.274 120.720 120.400 0.077 0.000 2.412 744 D HA 0.255 4.895 4.640 0.000 0.000 0.257 744 D C 1.116 177.460 176.300 0.074 0.000 1.217 744 D CA 1.257 55.286 54.000 0.047 0.000 0.897 744 D CB 0.579 41.401 40.800 0.035 0.000 1.132 744 D HN 0.320 nan 8.370 nan 0.000 0.493 745 G N 3.251 112.087 108.800 0.059 0.000 2.176 745 G HA2 -0.315 3.645 3.960 0.000 0.000 0.253 745 G HA3 -0.315 3.645 3.960 0.000 0.000 0.253 745 G C 0.576 175.568 174.900 0.154 0.000 0.979 745 G CA 0.450 45.595 45.100 0.074 0.000 0.641 745 G HN 0.576 nan 8.290 nan 0.000 0.530 746 W N 0.434 121.701 121.300 -0.056 0.000 3.127 746 W HA 0.645 5.305 4.660 0.000 0.000 0.248 746 W C 0.349 176.802 176.519 -0.110 0.000 1.058 746 W CA 0.531 57.837 57.345 -0.064 0.000 1.783 746 W CB 0.149 29.583 29.460 -0.043 0.000 1.030 746 W HN 0.124 nan 8.180 nan 0.000 0.653 747 L N 2.126 123.179 121.223 -0.283 0.000 2.401 747 L HA 0.365 4.705 4.340 0.000 0.000 0.266 747 L C 0.480 177.168 176.870 -0.303 0.000 0.991 747 L CA -0.765 53.774 54.840 -0.500 0.000 0.818 747 L CB 2.036 43.501 42.059 -0.991 0.000 1.321 747 L HN -0.137 nan 8.230 nan 0.000 0.413 748 T N -1.725 112.681 114.554 -0.246 0.000 2.874 748 T HA 0.323 4.673 4.350 0.000 0.000 0.281 748 T C -2.059 172.537 174.700 -0.174 0.000 0.994 748 T CA -1.731 60.271 62.100 -0.163 0.000 1.015 748 T CB 1.491 70.287 68.868 -0.120 0.000 1.028 748 T HN 0.309 nan 8.240 nan 0.000 0.523 749 P HA 0.025 nan 4.420 nan 0.000 0.218 749 P C 1.761 179.003 177.300 -0.096 0.000 1.148 749 P CA 1.727 64.769 63.100 -0.095 0.000 0.822 749 P CB -0.242 31.423 31.700 -0.059 0.000 0.784 750 E N 0.483 120.623 120.200 -0.099 0.000 2.051 750 E HA -0.242 4.108 4.350 0.000 0.000 0.192 750 E C 1.752 178.262 176.600 -0.149 0.000 0.991 750 E CA 1.702 58.041 56.400 -0.102 0.000 0.799 750 E CB -1.753 27.894 29.700 -0.088 0.000 0.748 750 E HN 0.270 nan 8.360 nan 0.000 0.449 751 D N -0.096 120.188 120.400 -0.193 0.000 2.123 751 D HA -0.123 4.517 4.640 0.000 0.000 0.196 751 D C 2.118 178.250 176.300 -0.280 0.000 0.992 751 D CA 1.538 55.379 54.000 -0.265 0.000 0.833 751 D CB -0.716 39.882 40.800 -0.336 0.000 0.954 751 D HN 0.544 nan 8.370 nan 0.000 0.455 752 C N 0.542 119.688 119.300 -0.257 0.000 2.419 752 C HA -0.055 4.405 4.460 0.000 0.000 0.283 752 C C 2.287 177.307 174.990 0.049 0.000 1.373 752 C CA 0.333 59.277 59.018 -0.123 0.000 1.781 752 C CB -0.871 26.811 27.740 -0.096 0.000 1.886 752 C HN 0.318 nan 8.230 nan 0.000 0.520 753 R N -0.204 120.277 120.500 -0.031 0.000 2.317 753 R HA 0.140 4.480 4.340 0.000 0.000 0.208 753 R C 1.536 177.765 176.300 -0.119 0.000 0.914 753 R CA 0.258 56.369 56.100 0.019 0.000 1.060 753 R CB 0.060 30.362 30.300 0.004 0.000 1.015 753 R HN 0.514 nan 8.270 nan 0.000 0.498 754 R N -0.011 120.259 120.500 -0.384 0.000 2.549 754 R HA 0.146 4.486 4.340 0.000 0.000 0.361 754 R C -0.384 175.106 176.300 -1.350 0.000 0.969 754 R CA 0.058 55.581 56.100 -0.963 0.000 1.158 754 R CB 1.310 31.313 30.300 -0.495 0.000 1.456 754 R HN 0.072 nan 8.270 nan 0.000 0.540 755 S N -0.366 114.936 115.700 -0.664 0.000 2.671 755 S HA 0.717 5.187 4.470 0.000 0.000 0.277 755 S C -0.856 173.920 174.600 0.294 0.000 1.165 755 S CA -0.959 57.106 58.200 -0.224 0.000 0.822 755 S CB 1.605 64.656 63.200 -0.248 0.000 1.150 755 S HN 0.149 nan 8.310 nan 0.000 0.479 756 F N -1.008 119.021 119.950 0.132 0.000 2.643 756 F HA 0.876 5.403 4.527 0.000 0.000 0.314 756 F C -1.478 174.269 175.800 -0.089 0.000 1.096 756 F CA -1.450 56.398 58.000 -0.254 0.000 0.953 756 F CB 0.849 39.334 39.000 -0.859 0.000 1.345 756 F HN 0.634 nan 8.300 nan 0.000 0.468 757 L N 2.163 123.378 121.223 -0.014 0.000 2.295 757 L HA 0.618 4.958 4.340 0.000 0.000 0.285 757 L C -0.439 176.536 176.870 0.176 0.000 1.035 757 L CA -0.346 54.558 54.840 0.108 0.000 0.806 757 L CB 1.452 43.599 42.059 0.148 0.000 1.214 757 L HN 0.714 nan 8.230 nan 0.000 0.426 758 K N 4.739 125.236 120.400 0.161 0.000 2.185 758 K HA 0.762 5.082 4.320 0.000 0.000 0.269 758 K C -1.078 175.565 176.600 0.072 0.000 0.987 758 K CA -0.374 56.007 56.287 0.155 0.000 0.865 758 K CB 0.939 33.546 32.500 0.178 0.000 1.090 758 K HN 0.545 nan 8.250 nan 0.000 0.450 759 L N 4.719 125.968 121.223 0.044 0.000 2.385 759 L HA 0.652 4.992 4.340 0.000 0.000 0.273 759 L C 0.007 176.871 176.870 -0.009 0.000 0.990 759 L CA -0.586 54.255 54.840 0.002 0.000 0.821 759 L CB 1.737 43.794 42.059 -0.004 0.000 1.279 759 L HN 0.676 nan 8.230 nan 0.000 0.412 760 I N 0.276 120.829 120.570 -0.030 0.000 2.785 760 I HA 0.735 4.905 4.170 0.000 0.000 0.302 760 I C -1.593 174.493 176.117 -0.050 0.000 1.069 760 I CA -1.126 60.153 61.300 -0.036 0.000 1.045 760 I CB 2.489 40.470 38.000 -0.032 0.000 1.236 760 I HN 0.470 nan 8.210 nan 0.000 0.429 761 L N 4.355 125.547 121.223 -0.051 0.000 2.333 761 L HA 0.608 4.948 4.340 0.000 0.000 0.280 761 L C -0.877 175.957 176.870 -0.059 0.000 1.004 761 L CA -0.097 54.714 54.840 -0.050 0.000 0.820 761 L CB 1.514 43.552 42.059 -0.036 0.000 1.247 761 L HN 0.677 nan 8.230 nan 0.000 0.416 762 K N 2.365 122.739 120.400 -0.042 0.000 2.318 762 K HA 0.475 4.795 4.320 0.000 0.000 0.249 762 K C -1.189 175.414 176.600 0.006 0.000 0.942 762 K CA -0.933 55.335 56.287 -0.032 0.000 0.808 762 K CB 1.769 34.264 32.500 -0.008 0.000 1.189 762 K HN 0.728 nan 8.250 nan 0.000 0.428 763 D N 0.764 121.183 120.400 0.030 0.000 2.398 763 D HA 0.107 4.747 4.640 0.000 0.000 0.247 763 D C 1.187 177.522 176.300 0.060 0.000 1.227 763 D CA -0.408 53.626 54.000 0.056 0.000 0.980 763 D CB 0.441 41.294 40.800 0.089 0.000 1.106 763 D HN 0.449 nan 8.370 nan 0.000 0.493 764 K N 0.091 120.523 120.400 0.053 0.000 2.189 764 K HA -0.206 4.114 4.320 0.000 0.000 0.207 764 K C 2.025 178.652 176.600 0.045 0.000 1.046 764 K CA 2.376 58.690 56.287 0.046 0.000 0.928 764 K CB -1.433 nan 32.500 nan 0.000 0.720 764 K HN 0.608 nan 8.250 nan 0.000 0.458 765 S N -1.893 113.841 115.700 0.055 0.000 2.527 765 S HA 0.333 4.803 4.470 0.000 0.000 0.222 765 S C 1.780 176.420 174.600 0.067 0.000 0.985 765 S CA 1.166 59.398 58.200 0.054 0.000 0.921 765 S CB -0.075 63.156 63.200 0.051 0.000 0.772 765 S HN 1.777 nan 8.310 nan 0.000 0.529 766 G N 0.556 109.402 108.800 0.078 0.000 2.157 766 G HA2 -0.252 3.708 3.960 0.000 0.000 0.239 766 G HA3 -0.252 3.708 3.960 0.000 0.000 0.239 766 G C -0.088 174.868 174.900 0.095 0.000 0.982 766 G CA 0.231 45.374 45.100 0.072 0.000 0.650 766 G HN 0.943 nan 8.290 nan 0.000 0.527 767 H N 0.958 120.038 119.070 0.017 0.000 2.722 767 H HA 0.544 5.100 4.556 0.000 0.000 0.328 767 H C 0.573 175.910 175.328 0.015 0.000 1.067 767 H CA 0.419 56.476 56.048 0.015 0.000 1.447 767 H CB 0.750 30.520 29.762 0.014 0.000 1.469 767 H HN 0.444 nan 8.280 nan 0.000 0.544 768 Q N 4.196 123.728 119.800 -0.447 0.000 2.296 768 Q HA 0.156 4.496 4.340 0.000 0.000 0.262 768 Q C -0.406 175.262 176.000 -0.553 0.000 0.981 768 Q CA -0.376 55.206 55.803 -0.368 0.000 0.905 768 Q CB 0.837 29.461 28.738 -0.190 0.000 1.186 768 Q HN 0.710 nan 8.270 nan 0.000 0.399 769 V N 2.968 122.711 119.914 -0.285 0.000 3.431 769 V HA 0.369 4.489 4.120 0.000 0.000 0.253 769 V C 0.107 176.152 176.094 -0.081 0.000 1.184 769 V CA 0.977 63.177 62.300 -0.166 0.000 1.104 769 V CB 0.458 32.238 31.823 -0.072 0.000 0.799 769 V HN 0.825 nan 8.190 nan 0.000 0.462 770 A N 0.473 123.249 122.820 -0.074 0.000 2.599 770 A HA 0.718 5.038 4.320 0.000 0.000 0.294 770 A C -1.202 176.361 177.584 -0.034 0.000 1.055 770 A CA -0.544 51.471 52.037 -0.036 0.000 0.683 770 A CB 1.351 20.342 19.000 -0.015 0.000 1.278 770 A HN 0.283 nan 8.150 nan 0.000 0.412 771 E N 0.330 120.519 120.200 -0.019 0.000 2.390 771 E HA 0.844 5.194 4.350 0.000 0.000 0.277 771 E C -1.122 175.478 176.600 0.000 0.000 0.939 771 E CA -0.799 55.594 56.400 -0.012 0.000 0.769 771 E CB 2.128 31.820 29.700 -0.014 0.000 1.251 771 E HN 0.492 nan 8.360 nan 0.000 0.450 772 S N 0.241 115.946 115.700 0.009 0.000 2.607 772 S HA 0.590 5.060 4.470 0.000 0.000 0.273 772 S C -1.317 173.298 174.600 0.025 0.000 1.148 772 S CA -0.704 57.507 58.200 0.018 0.000 0.833 772 S CB 1.992 65.206 63.200 0.024 0.000 1.130 772 S HN 0.428 nan 8.310 nan 0.000 0.470 773 V N 1.954 121.881 119.914 0.022 0.000 2.709 773 V HA 0.528 4.648 4.120 0.000 0.000 0.308 773 V C -1.140 174.958 176.094 0.006 0.000 1.062 773 V CA -0.616 61.675 62.300 -0.014 0.000 0.901 773 V CB 1.758 33.512 31.823 -0.114 0.000 1.003 773 V HN 0.972 nan 8.190 nan 0.000 0.425 774 H N 3.501 122.447 119.070 -0.207 0.000 2.589 774 H HA 0.694 5.250 4.556 0.000 0.000 0.351 774 H C -1.653 173.348 175.328 -0.545 0.000 1.074 774 H CA -0.606 55.286 56.048 -0.259 0.000 1.203 774 H CB 1.342 30.951 29.762 -0.255 0.000 1.558 774 H HN 0.444 nan 8.280 nan 0.000 0.522 775 F N 4.725 124.186 119.950 -0.815 0.000 2.421 775 F HA 0.230 4.757 4.527 0.000 0.000 0.337 775 F C 0.186 175.425 175.800 -0.935 0.000 1.105 775 F CA -0.590 57.032 58.000 -0.630 0.000 1.049 775 F CB 0.944 39.791 39.000 -0.254 0.000 1.139 775 F HN 0.589 nan 8.300 nan 0.000 0.479 776 F N 0.811 120.689 119.950 -0.118 0.000 2.743 776 F HA 0.219 4.746 4.527 0.000 0.000 0.297 776 F C 0.927 176.718 175.800 -0.016 0.000 1.131 776 F CA 0.215 58.178 58.000 -0.062 0.000 1.426 776 F CB -0.104 38.869 39.000 -0.045 0.000 1.116 776 F HN 0.140 nan 8.300 nan 0.000 0.583 777 R N 0.320 120.911 120.500 0.152 0.000 2.837 777 R HA 0.352 4.692 4.340 0.000 0.000 0.271 777 R C -0.287 175.999 176.300 -0.023 0.000 0.993 777 R CA -1.112 55.031 56.100 0.072 0.000 0.931 777 R CB 1.213 31.569 30.300 0.092 0.000 1.206 777 R HN 0.003 nan 8.270 nan 0.000 0.474 778 K N 0.358 120.704 120.400 -0.090 0.000 2.469 778 K HA 0.005 4.325 4.320 0.000 0.000 0.274 778 K C 0.940 177.391 176.600 -0.249 0.000 0.983 778 K CA 0.305 56.469 56.287 -0.205 0.000 0.974 778 K CB 0.450 32.823 32.500 -0.211 0.000 0.913 778 K HN 0.433 nan 8.250 nan 0.000 0.493 779 T N 2.423 116.722 114.554 -0.426 0.000 2.720 779 T HA -0.203 4.147 4.350 0.000 0.000 0.268 779 T C 1.650 176.174 174.700 -0.294 0.000 1.037 779 T CA 1.871 63.723 62.100 -0.413 0.000 1.144 779 T CB -0.128 68.402 68.868 -0.563 0.000 0.864 779 T HN 0.659 nan 8.240 nan 0.000 0.444 780 K N 1.028 121.212 120.400 -0.359 0.000 2.286 780 K HA -0.146 4.174 4.320 0.000 0.000 0.203 780 K C 1.114 177.609 176.600 -0.175 0.000 1.045 780 K CA 1.758 57.889 56.287 -0.261 0.000 0.935 780 K CB -0.048 32.309 32.500 -0.239 0.000 0.737 780 K HN 0.201 nan 8.250 nan 0.000 0.460 781 D N 0.602 120.926 120.400 -0.127 0.000 2.349 781 D HA 0.142 4.782 4.640 0.000 0.000 0.214 781 D C 0.316 176.628 176.300 0.021 0.000 1.063 781 D CA 0.093 54.061 54.000 -0.054 0.000 0.847 781 D CB 0.231 41.001 40.800 -0.049 0.000 0.933 781 D HN 0.186 nan 8.370 nan 0.000 0.513 782 L N 0.987 122.243 121.223 0.055 0.000 2.417 782 L HA 0.203 4.544 4.340 0.000 0.000 0.268 782 L C 0.647 177.661 176.870 0.240 0.000 1.158 782 L CA -0.165 54.804 54.840 0.216 0.000 0.819 782 L CB 0.726 42.936 42.059 0.253 0.000 1.112 782 L HN -0.335 nan 8.230 nan 0.000 0.458 783 Q N 3.512 123.506 119.800 0.324 0.000 2.835 783 Q HA 0.348 4.689 4.340 0.000 0.000 0.235 783 Q C -0.853 175.403 176.000 0.426 0.000 1.313 783 Q CA -0.167 55.801 55.803 0.274 0.000 1.053 783 Q CB 0.465 29.290 28.738 0.146 0.000 1.443 783 Q HN 0.464 nan 8.270 nan 0.000 0.576 784 L N 4.067 125.497 121.223 0.345 0.000 2.380 784 L HA 0.317 4.657 4.340 0.000 0.000 0.273 784 L C -1.789 175.206 176.870 0.209 0.000 1.138 784 L CA -1.689 53.301 54.840 0.250 0.000 0.832 784 L CB 0.139 42.288 42.059 0.151 0.000 1.124 784 L HN 0.276 nan 8.230 nan 0.000 0.454 785 P HA 0.249 nan 4.420 nan 0.000 0.278 785 P C -2.568 174.780 177.300 0.080 0.000 1.258 785 P CA -1.955 61.227 63.100 0.137 0.000 0.811 785 P CB 0.310 32.100 31.700 0.150 0.000 1.063 786 P HA 0.041 nan 4.420 nan 0.000 0.226 786 P C 0.262 177.588 177.300 0.043 0.000 1.783 786 P CA 0.125 63.248 63.100 0.038 0.000 0.980 786 P CB -0.722 30.988 31.700 0.017 0.000 1.967 787 T N 0.378 114.957 114.554 0.041 0.000 2.926 787 T HA 0.081 4.431 4.350 0.000 0.000 0.307 787 T C 0.121 174.813 174.700 -0.013 0.000 1.059 787 T CA 0.170 62.258 62.100 -0.020 0.000 1.122 787 T CB 0.067 68.862 68.868 -0.121 0.000 0.972 787 T HN 0.106 nan 8.240 nan 0.000 0.545 788 S N 3.502 119.191 115.700 -0.018 0.000 2.430 788 S HA 0.486 4.956 4.470 0.000 0.000 0.289 788 S C -0.605 173.981 174.600 -0.023 0.000 1.143 788 S CA -0.830 57.373 58.200 0.006 0.000 1.067 788 S CB 0.019 63.239 63.200 0.033 0.000 0.964 788 S HN 0.584 nan 8.310 nan 0.000 0.485 789 V N 6.006 125.911 119.914 -0.015 0.000 2.347 789 V HA 0.532 4.652 4.120 0.000 0.000 0.280 789 V C 0.244 176.395 176.094 0.096 0.000 1.021 789 V CA -0.635 61.656 62.300 -0.015 0.000 0.847 789 V CB 1.135 32.904 31.823 -0.091 0.000 0.990 789 V HN 0.954 nan 8.190 nan 0.000 0.444 790 S N 4.751 120.539 115.700 0.147 0.000 2.607 790 S HA 0.927 5.397 4.470 0.000 0.000 0.303 790 S C -0.989 173.767 174.600 0.261 0.000 1.086 790 S CA -0.750 57.551 58.200 0.168 0.000 0.995 790 S CB 1.987 65.264 63.200 0.128 0.000 1.084 790 S HN 0.912 nan 8.310 nan 0.000 0.507 791 Y N -2.615 117.708 120.300 0.040 0.000 2.482 791 Y HA 0.749 5.299 4.550 0.000 0.000 0.334 791 Y C -0.681 175.228 175.900 0.014 0.000 1.091 791 Y CA -1.264 56.856 58.100 0.034 0.000 1.027 791 Y CB 0.434 38.903 38.460 0.016 0.000 1.306 791 Y HN 0.860 nan 8.280 nan 0.000 0.446 792 Q N 3.362 123.176 119.800 0.024 0.000 2.243 792 Q HA 0.723 5.063 4.340 0.000 0.000 0.252 792 Q C -1.204 174.842 176.000 0.077 0.000 0.909 792 Q CA -0.640 55.139 55.803 -0.040 0.000 0.922 792 Q CB 1.945 30.668 28.738 -0.025 0.000 1.215 792 Q HN 0.901 nan 8.270 nan 0.000 0.427 793 M N 1.945 121.566 119.600 0.035 0.000 2.227 793 M HA 0.457 4.937 4.480 0.000 0.000 0.335 793 M C -0.695 175.624 176.300 0.030 0.000 1.053 793 M CA -0.276 55.078 55.300 0.090 0.000 0.973 793 M CB 1.571 34.246 32.600 0.125 0.000 1.623 793 M HN 0.593 nan 8.290 nan 0.000 0.434 794 K N 4.207 124.623 120.400 0.028 0.000 2.464 794 K HA 0.313 4.633 4.320 0.000 0.000 0.252 794 K C -1.352 175.249 176.600 0.002 0.000 1.000 794 K CA -0.364 55.928 56.287 0.008 0.000 0.951 794 K CB 1.012 33.515 32.500 0.004 0.000 1.183 794 K HN 0.818 nan 8.250 nan 0.000 0.445 795 Q N 3.028 122.828 119.800 -0.002 0.000 2.314 795 Q HA 0.216 4.556 4.340 0.000 0.000 0.259 795 Q C -0.799 175.194 176.000 -0.012 0.000 0.951 795 Q CA -0.233 55.565 55.803 -0.008 0.000 0.909 795 Q CB 1.755 30.489 28.738 -0.006 0.000 1.236 795 Q HN 0.610 nan 8.270 nan 0.000 0.444 796 T N 1.621 116.165 114.554 -0.016 0.000 2.678 796 T HA 0.294 4.644 4.350 0.000 0.000 0.260 796 T C -0.992 173.697 174.700 -0.018 0.000 0.932 796 T CA -0.672 61.419 62.100 -0.015 0.000 1.043 796 T CB 0.856 69.716 68.868 -0.014 0.000 1.413 796 T HN 0.593 nan 8.240 nan 0.000 0.568 797 D N 0.388 120.778 120.400 -0.015 0.000 2.343 797 D HA 0.390 5.030 4.640 0.000 0.000 0.255 797 D C 1.215 177.503 176.300 -0.020 0.000 1.187 797 D CA 1.382 55.373 54.000 -0.015 0.000 0.875 797 D CB 0.726 41.520 40.800 -0.010 0.000 1.136 797 D HN 0.944 nan 8.370 nan 0.000 0.469 798 G N 2.890 111.675 108.800 -0.024 0.000 2.180 798 G HA2 -0.321 3.639 3.960 0.000 0.000 0.263 798 G HA3 -0.321 3.639 3.960 0.000 0.000 0.263 798 G C 0.478 175.351 174.900 -0.045 0.000 0.989 798 G CA 0.952 46.033 45.100 -0.032 0.000 0.692 798 G HN 0.572 nan 8.290 nan 0.000 0.526 799 K N -0.876 119.497 120.400 -0.046 0.000 2.550 799 K HA 0.540 4.860 4.320 0.000 0.000 0.252 799 K C -1.062 175.507 176.600 -0.051 0.000 0.943 799 K CA -0.713 55.541 56.287 -0.055 0.000 0.806 799 K CB 1.250 33.726 32.500 -0.041 0.000 1.289 799 K HN 0.111 nan 8.250 nan 0.000 0.435 800 C N 2.232 121.490 119.300 -0.069 0.000 2.382 800 C HA 0.477 4.937 4.460 0.000 0.000 0.327 800 C C -0.558 174.406 174.990 -0.042 0.000 1.250 800 C CA -0.567 58.420 59.018 -0.052 0.000 1.707 800 C CB 1.303 29.002 27.740 -0.068 0.000 2.272 800 C HN 0.728 nan 8.230 nan 0.000 0.506 801 E N 2.499 122.691 120.200 -0.014 0.000 2.151 801 E HA 0.609 4.959 4.350 0.000 0.000 0.275 801 E C -1.072 175.547 176.600 0.031 0.000 0.936 801 E CA -0.514 55.886 56.400 0.000 0.000 0.777 801 E CB 1.818 31.520 29.700 0.003 0.000 1.108 801 E HN 0.490 nan 8.360 nan 0.000 0.401 802 L N 2.021 123.268 121.223 0.040 0.000 2.329 802 L HA 0.532 4.872 4.340 0.000 0.000 0.279 802 L C 0.256 177.180 176.870 0.090 0.000 1.014 802 L CA -0.274 54.621 54.840 0.092 0.000 0.814 802 L CB 2.371 44.465 42.059 0.059 0.000 1.257 802 L HN 0.530 nan 8.230 nan 0.000 0.424 803 T N 4.052 118.680 114.554 0.124 0.000 2.791 803 T HA 0.649 4.999 4.350 0.000 0.000 0.288 803 T C -0.430 174.373 174.700 0.172 0.000 0.999 803 T CA -0.340 61.826 62.100 0.110 0.000 0.952 803 T CB 0.517 69.428 68.868 0.072 0.000 0.938 803 T HN 0.148 nan 8.240 nan 0.000 0.444 804 L N 3.901 125.223 121.223 0.165 0.000 2.322 804 L HA 0.744 5.084 4.340 0.000 0.000 0.279 804 L C -0.633 176.375 176.870 0.230 0.000 1.036 804 L CA -0.684 54.275 54.840 0.198 0.000 0.807 804 L CB 1.123 43.275 42.059 0.155 0.000 1.226 804 L HN 0.600 nan 8.230 nan 0.000 0.433 805 F N 1.765 121.749 119.950 0.057 0.000 2.591 805 F HA 0.712 5.239 4.527 0.000 0.000 0.309 805 F C -0.647 175.162 175.800 0.016 0.000 1.098 805 F CA -0.233 57.785 58.000 0.030 0.000 0.937 805 F CB 2.088 41.101 39.000 0.022 0.000 1.250 805 F HN 0.367 nan 8.300 nan 0.000 0.447 806 S N 2.137 117.223 115.700 -1.024 0.000 2.546 806 S HA 0.366 4.836 4.470 0.000 0.000 0.272 806 S C 0.246 174.225 174.600 -1.035 0.000 1.140 806 S CA -0.002 57.712 58.200 -0.810 0.000 0.920 806 S CB 1.485 64.458 63.200 -0.377 0.000 1.083 806 S HN 0.906 nan 8.310 nan 0.000 0.476 807 S N 4.071 119.431 115.700 -0.567 0.000 2.453 807 S HA 0.210 4.680 4.470 0.000 0.000 0.231 807 S C 0.685 175.213 174.600 -0.119 0.000 1.005 807 S CA 0.375 58.436 58.200 -0.232 0.000 0.949 807 S CB -0.366 62.867 63.200 0.054 0.000 0.774 807 S HN 0.666 nan 8.310 nan 0.000 0.510 808 M N 0.567 120.092 119.600 -0.125 0.000 2.724 808 M HA 0.486 4.966 4.480 0.000 0.000 0.310 808 M C -0.885 175.366 176.300 -0.082 0.000 1.217 808 M CA -1.120 54.160 55.300 -0.033 0.000 0.894 808 M CB 1.562 34.169 32.600 0.012 0.000 1.719 808 M HN 0.093 nan 8.290 nan 0.000 0.479 809 L N 2.116 123.328 121.223 -0.020 0.000 2.601 809 L HA 0.252 4.592 4.340 0.000 0.000 0.277 809 L C -0.444 176.299 176.870 -0.211 0.000 1.219 809 L CA 0.634 55.394 54.840 -0.134 0.000 0.915 809 L CB 0.118 42.017 42.059 -0.267 0.000 1.160 809 L HN 0.734 nan 8.230 nan 0.000 0.494 810 A N 5.163 127.832 122.820 -0.251 0.000 2.303 810 A HA 0.602 4.922 4.320 0.000 0.000 0.320 810 A C -0.584 176.877 177.584 -0.204 0.000 1.192 810 A CA -0.822 51.019 52.037 -0.325 0.000 0.821 810 A CB 0.854 19.515 19.000 -0.566 0.000 1.188 810 A HN 0.633 nan 8.150 nan 0.000 0.492 811 K N 2.275 122.603 120.400 -0.120 0.000 2.227 811 K HA 0.346 4.666 4.320 0.000 0.000 0.280 811 K C -0.564 176.010 176.600 -0.042 0.000 1.041 811 K CA 0.051 56.254 56.287 -0.140 0.000 0.905 811 K CB 0.252 32.641 32.500 -0.186 0.000 1.068 811 K HN 0.670 nan 8.250 nan 0.000 0.470 812 D N 3.478 123.828 120.400 -0.083 0.000 2.737 812 D HA -0.218 4.422 4.640 0.000 0.000 0.238 812 D C -0.201 176.091 176.300 -0.012 0.000 1.157 812 D CA 0.565 54.547 54.000 -0.030 0.000 0.694 812 D CB -0.593 40.202 40.800 -0.008 0.000 1.021 812 D HN 0.440 nan 8.370 nan 0.000 0.420 813 I N 0.591 121.000 120.570 -0.268 0.000 2.775 813 I HA -0.049 4.122 4.170 0.000 0.000 0.290 813 I C 0.674 176.442 176.117 -0.581 0.000 1.203 813 I CA 0.627 61.666 61.300 -0.435 0.000 1.433 813 I CB 0.004 37.597 38.000 -0.677 0.000 1.354 813 I HN 0.048 nan 8.210 nan 0.000 0.579 814 F N 8.488 127.994 119.950 -0.740 0.000 2.445 814 F HA 0.482 5.009 4.527 0.000 0.000 0.348 814 F C -0.278 175.066 175.800 -0.760 0.000 1.125 814 F CA -1.588 55.801 58.000 -1.018 0.000 0.983 814 F CB 0.714 39.168 39.000 -0.911 0.000 1.198 814 F HN 0.203 nan 8.300 nan 0.000 0.436 815 I N 5.595 125.668 120.570 -0.828 0.000 2.294 815 I HA 0.170 4.340 4.170 0.000 0.000 0.295 815 I C 0.115 175.669 176.117 -0.938 0.000 1.098 815 I CA 0.047 60.922 61.300 -0.708 0.000 1.277 815 I CB 0.382 38.190 38.000 -0.319 0.000 1.434 815 I HN 0.552 nan 8.210 nan 0.000 0.498 816 E N 6.029 125.549 120.200 -1.134 0.000 2.174 816 E HA 0.374 4.724 4.350 0.000 0.000 0.282 816 E C -0.487 175.885 176.600 -0.380 0.000 0.992 816 E CA -0.508 55.297 56.400 -0.992 0.000 0.803 816 E CB 1.066 30.103 29.700 -1.105 0.000 1.090 816 E HN 0.633 nan 8.360 nan 0.000 0.396 817 T N 1.147 115.617 114.554 -0.141 0.000 2.924 817 T HA 0.472 4.822 4.350 0.000 0.000 0.291 817 T C -2.240 172.447 174.700 -0.023 0.000 1.045 817 T CA -1.892 60.169 62.100 -0.066 0.000 1.015 817 T CB 1.725 70.572 68.868 -0.035 0.000 1.103 817 T HN 0.234 nan 8.240 nan 0.000 0.496 818 P HA 0.275 nan 4.420 nan 0.000 0.255 818 P C 0.056 177.357 177.300 0.002 0.000 1.248 818 P CA -0.091 63.004 63.100 -0.007 0.000 0.807 818 P CB 0.052 31.743 31.700 -0.014 0.000 1.150 819 L N 1.001 122.225 121.223 0.001 0.000 2.369 819 L HA 0.119 4.459 4.340 0.000 0.000 0.279 819 L C 0.792 177.679 176.870 0.027 0.000 1.108 819 L CA -0.420 54.421 54.840 0.001 0.000 0.852 819 L CB -0.021 42.026 42.059 -0.020 0.000 1.169 819 L HN -0.028 nan 8.230 nan 0.000 0.452 820 Q N 2.513 122.322 119.800 0.015 0.000 2.283 820 Q HA 0.026 4.367 4.340 0.000 0.000 0.301 820 Q C 1.256 177.299 176.000 0.071 0.000 1.063 820 Q CA 1.100 56.925 55.803 0.037 0.000 0.952 820 Q CB 0.788 29.512 28.738 -0.024 0.000 1.166 820 Q HN 0.939 nan 8.270 nan 0.000 0.381 821 G N 1.571 110.442 108.800 0.118 0.000 2.184 821 G HA2 -0.330 3.630 3.960 0.000 0.000 0.264 821 G HA3 -0.330 3.630 3.960 0.000 0.000 0.264 821 G C 0.425 175.363 174.900 0.063 0.000 0.975 821 G CA 0.221 45.384 45.100 0.104 0.000 0.642 821 G HN 0.962 nan 8.290 nan 0.000 0.536 822 A N 0.255 123.103 122.820 0.047 0.000 2.565 822 A HA 0.531 4.851 4.320 0.000 0.000 0.237 822 A C 0.856 178.412 177.584 -0.047 0.000 1.053 822 A CA 0.727 52.732 52.037 -0.053 0.000 0.755 822 A CB 0.150 19.075 19.000 -0.125 0.000 0.980 822 A HN 0.579 nan 8.150 nan 0.000 0.506 823 R N 0.688 121.087 120.500 -0.169 0.000 2.540 823 R HA 0.542 4.882 4.340 0.000 0.000 0.287 823 R C -1.550 174.596 176.300 -0.257 0.000 0.980 823 R CA -0.223 55.778 56.100 -0.166 0.000 0.966 823 R CB 1.331 31.529 30.300 -0.171 0.000 1.106 823 R HN 0.768 nan 8.270 nan 0.000 0.480 824 Y N -0.508 119.698 120.300 -0.157 0.000 2.446 824 Y HA 0.075 4.625 4.550 0.000 0.000 0.345 824 Y C 1.459 177.330 175.900 -0.048 0.000 0.984 824 Y CA -0.627 57.443 58.100 -0.051 0.000 1.058 824 Y CB 2.291 40.775 38.460 0.040 0.000 1.220 824 Y HN 0.712 nan 8.280 nan 0.000 0.455 825 S N -0.167 115.600 115.700 0.112 0.000 2.383 825 S HA -0.112 4.358 4.470 0.000 0.000 0.229 825 S C 0.111 174.809 174.600 0.164 0.000 1.030 825 S CA 1.537 59.789 58.200 0.088 0.000 1.002 825 S CB 0.040 63.265 63.200 0.042 0.000 0.829 825 S HN 0.737 nan 8.310 nan 0.000 0.467 826 D N -0.630 119.892 120.400 0.205 0.000 2.623 826 D HA 0.611 5.252 4.640 0.000 0.000 0.241 826 D C -1.597 174.725 176.300 0.036 0.000 1.241 826 D CA -0.487 53.617 54.000 0.173 0.000 0.788 826 D CB 1.818 42.651 40.800 0.055 0.000 1.413 826 D HN 0.080 nan 8.370 nan 0.000 0.429 827 N N 0.259 118.714 118.700 -0.409 0.000 3.046 827 N HA 0.357 5.097 4.740 0.000 0.000 0.243 827 N C -1.182 173.996 175.510 -0.552 0.000 1.452 827 N CA -0.481 52.166 53.050 -0.673 0.000 0.882 827 N CB 0.756 38.547 38.487 -1.159 0.000 1.425 827 N HN 0.442 nan 8.380 nan 0.000 0.517 828 F N -0.079 119.503 119.950 -0.613 0.000 2.891 828 F HA -0.210 4.317 4.527 0.000 0.000 0.272 828 F C -0.583 175.076 175.800 -0.234 0.000 1.004 828 F CA 0.665 58.430 58.000 -0.392 0.000 0.938 828 F CB -1.755 37.083 39.000 -0.271 0.000 0.939 828 F HN 0.327 nan 8.300 nan 0.000 0.833 829 F N -2.025 117.894 119.950 -0.051 0.000 2.603 829 F HA 0.742 5.269 4.527 0.000 0.000 0.317 829 F C -0.146 175.608 175.800 -0.075 0.000 1.066 829 F CA -2.076 55.891 58.000 -0.056 0.000 0.941 829 F CB 0.847 39.800 39.000 -0.077 0.000 1.291 829 F HN -0.165 nan 8.300 nan 0.000 0.472 830 D N 2.274 122.787 120.400 0.188 0.000 2.350 830 D HA 0.247 4.887 4.640 0.000 0.000 0.249 830 D C -0.776 175.622 176.300 0.163 0.000 1.119 830 D CA 0.023 54.063 54.000 0.066 0.000 0.886 830 D CB 2.233 43.032 40.800 -0.002 0.000 1.195 830 D HN 0.514 nan 8.370 nan 0.000 0.437 831 L N 3.630 124.889 121.223 0.061 0.000 2.255 831 L HA 0.259 4.599 4.340 0.000 0.000 0.289 831 L C -0.663 176.151 176.870 -0.092 0.000 1.046 831 L CA -0.358 54.510 54.840 0.047 0.000 0.816 831 L CB 0.491 42.565 42.059 0.026 0.000 1.197 831 L HN 0.229 nan 8.230 nan 0.000 0.427 832 L N 6.844 128.010 121.223 -0.096 0.000 2.418 832 L HA 0.426 4.766 4.340 0.000 0.000 0.265 832 L C -1.830 175.006 176.870 -0.056 0.000 1.143 832 L CA -2.046 52.733 54.840 -0.101 0.000 0.809 832 L CB 0.488 42.502 42.059 -0.074 0.000 1.124 832 L HN 0.485 nan 8.230 nan 0.000 0.456 833 P HA -0.013 nan 4.420 nan 0.000 0.262 833 P C 0.693 177.975 177.300 -0.029 0.000 1.199 833 P CA 0.601 63.698 63.100 -0.005 0.000 0.763 833 P CB 0.477 32.256 31.700 0.131 0.000 0.790 834 G N 2.634 111.316 108.800 -0.198 0.000 2.179 834 G HA2 -0.260 3.700 3.960 0.000 0.000 0.257 834 G HA3 -0.260 3.700 3.960 0.000 0.000 0.257 834 G C -0.201 174.786 174.900 0.144 0.000 1.010 834 G CA -0.128 44.980 45.100 0.014 0.000 0.736 834 G HN 0.617 nan 8.290 nan 0.000 0.513 835 E N 0.252 120.470 120.200 0.032 0.000 2.207 835 E HA 0.376 4.726 4.350 0.000 0.000 0.250 835 E C 0.220 176.865 176.600 0.076 0.000 0.890 835 E CA -0.853 55.594 56.400 0.078 0.000 0.749 835 E CB 1.493 31.217 29.700 0.040 0.000 1.193 835 E HN 0.170 nan 8.360 nan 0.000 0.423 836 R N 2.027 122.632 120.500 0.175 0.000 2.679 836 R HA 0.128 4.468 4.340 0.000 0.000 0.268 836 R C -0.342 175.990 176.300 0.053 0.000 1.044 836 R CA 0.045 56.255 56.100 0.183 0.000 1.105 836 R CB 0.484 30.898 30.300 0.190 0.000 0.989 836 R HN 0.418 nan 8.270 nan 0.000 0.447 837 K N 1.863 122.283 120.400 0.034 0.000 2.545 837 K HA 0.329 4.649 4.320 0.000 0.000 0.252 837 K C -0.991 175.589 176.600 -0.032 0.000 0.948 837 K CA -0.333 55.913 56.287 -0.068 0.000 0.827 837 K CB 1.253 33.655 32.500 -0.164 0.000 1.128 837 K HN 0.504 nan 8.250 nan 0.000 0.429 838 K N 3.291 123.661 120.400 -0.050 0.000 2.258 838 K HA 0.384 4.704 4.320 0.000 0.000 0.284 838 K C -1.109 175.468 176.600 -0.038 0.000 1.051 838 K CA -0.652 55.623 56.287 -0.020 0.000 0.923 838 K CB 1.084 33.577 32.500 -0.012 0.000 1.046 838 K HN 0.381 nan 8.250 nan 0.000 0.474 839 V N 6.405 126.324 119.914 0.008 0.000 2.444 839 V HA 0.376 4.496 4.120 0.000 0.000 0.294 839 V C -0.365 175.742 176.094 0.022 0.000 1.022 839 V CA -0.837 61.485 62.300 0.037 0.000 0.850 839 V CB 1.605 33.504 31.823 0.127 0.000 0.992 839 V HN 0.645 nan 8.190 nan 0.000 0.426 840 I N 6.032 126.606 120.570 0.006 0.000 2.336 840 I HA 0.474 4.644 4.170 0.000 0.000 0.292 840 I C -0.358 175.698 176.117 -0.102 0.000 0.991 840 I CA -0.156 61.122 61.300 -0.037 0.000 1.227 840 I CB 1.385 39.367 38.000 -0.031 0.000 1.366 840 I HN 0.406 nan 8.210 nan 0.000 0.466 841 I N 5.742 126.204 120.570 -0.180 0.000 2.362 841 I HA 0.338 4.509 4.170 0.000 0.000 0.289 841 I C 0.002 175.973 176.117 -0.244 0.000 0.994 841 I CA -0.458 60.628 61.300 -0.357 0.000 1.158 841 I CB 1.603 39.319 38.000 -0.473 0.000 1.315 841 I HN 0.547 nan 8.210 nan 0.000 0.451 842 T N 1.740 116.154 114.554 -0.234 0.000 2.823 842 T HA 0.661 5.011 4.350 0.000 0.000 0.279 842 T C -0.419 174.198 174.700 -0.139 0.000 0.998 842 T CA -0.771 61.241 62.100 -0.148 0.000 0.994 842 T CB 1.927 70.736 68.868 -0.099 0.000 0.960 842 T HN 0.541 nan 8.240 nan 0.000 0.448 843 S N 2.386 118.028 115.700 -0.097 0.000 2.537 843 S HA 0.580 5.050 4.470 0.000 0.000 0.270 843 S C -2.454 172.122 174.600 -0.040 0.000 1.142 843 S CA -1.369 56.792 58.200 -0.065 0.000 0.870 843 S CB 1.804 64.964 63.200 -0.067 0.000 1.112 843 S HN 0.460 nan 8.310 nan 0.000 0.466 844 P HA 0.085 nan 4.420 nan 0.000 0.234 844 P C 0.921 178.215 177.300 -0.009 0.000 1.167 844 P CA 0.342 63.436 63.100 -0.011 0.000 0.763 844 P CB 0.043 31.744 31.700 0.001 0.000 0.835 845 R N -1.092 119.400 120.500 -0.013 0.000 2.317 845 R HA 0.258 4.598 4.340 0.000 0.000 0.208 845 R C 1.023 177.311 176.300 -0.020 0.000 0.914 845 R CA -0.135 55.958 56.100 -0.012 0.000 1.060 845 R CB -1.250 29.046 30.300 -0.008 0.000 1.015 845 R HN 0.285 nan 8.270 nan 0.000 0.498 846 I N 2.115 122.667 120.570 -0.030 0.000 2.396 846 I HA 0.317 4.487 4.170 0.000 0.000 0.289 846 I C 0.588 176.691 176.117 -0.023 0.000 1.056 846 I CA 0.076 61.356 61.300 -0.033 0.000 1.365 846 I CB 0.945 38.916 38.000 -0.049 0.000 1.407 846 I HN 0.142 nan 8.210 nan 0.000 0.509 847 K N 5.035 125.424 120.400 -0.018 0.000 2.483 847 K HA 0.651 4.971 4.320 0.000 0.000 0.256 847 K C 0.153 176.746 176.600 -0.012 0.000 0.961 847 K CA -0.780 55.499 56.287 -0.013 0.000 0.873 847 K CB 0.916 33.411 32.500 -0.008 0.000 1.107 847 K HN 0.663 nan 8.250 nan 0.000 0.432 848 K N 0.426 120.819 120.400 -0.012 0.000 2.434 848 K HA 0.331 4.651 4.320 0.000 0.000 0.266 848 K C 1.529 178.123 176.600 -0.009 0.000 1.096 848 K CA 1.361 57.642 56.287 -0.010 0.000 1.182 848 K CB -1.330 nan 32.500 nan 0.000 0.813 848 K HN 2.434 nan 8.250 nan 0.000 0.490 849 G N 0.033 108.828 108.800 -0.009 0.000 2.259 849 G HA2 -0.161 3.799 3.960 0.000 0.000 0.217 849 G HA3 -0.161 3.799 3.960 0.000 0.000 0.217 849 G C 0.239 175.135 174.900 -0.007 0.000 1.001 849 G CA 0.293 45.388 45.100 -0.008 0.000 0.627 849 G HN 0.849 nan 8.290 nan 0.000 0.501 850 E N 1.289 121.484 120.200 -0.008 0.000 0.000 850 E HA 0.889 5.239 4.350 0.000 0.000 0.000 850 E C 0.509 177.103 176.600 -0.009 0.000 0.000 850 E CA 0.511 56.906 56.400 -0.008 0.000 0.000 850 E CB 1.142 30.837 29.700 -0.008 0.000 0.000 850 E HN 0.889 nan 8.360 nan 0.000 0.000 851 E N -0.011 nan 120.200 nan 0.000 0.000 851 E HA 0.172 4.522 4.350 0.000 0.000 0.000 851 E C -1.297 175.300 176.600 -0.005 0.000 0.000 851 E CA -0.702 55.697 56.400 -0.002 0.000 0.000 851 E CB 0.307 30.009 29.700 0.003 0.000 0.000 851 E HN 0.221 nan 8.360 nan 0.000 0.000 852 L N 1.933 123.150 121.223 -0.009 0.000 2.462 852 L HA 0.269 4.609 4.340 0.000 0.000 0.272 852 L C -2.450 174.410 176.870 -0.016 0.000 1.166 852 L CA -0.979 53.847 54.840 -0.023 0.000 0.880 852 L CB 0.432 42.464 42.059 -0.044 0.000 1.142 852 L HN 0.250 nan 8.230 nan 0.000 0.473 853 P HA 0.144 nan 4.420 nan 0.000 0.267 853 P C -1.237 176.027 177.300 -0.061 0.000 1.205 853 P CA 0.010 63.094 63.100 -0.027 0.000 0.765 853 P CB 0.810 32.492 31.700 -0.030 0.000 0.828 854 V N 3.840 123.712 119.914 -0.070 0.000 2.638 854 V HA 0.466 4.586 4.120 0.000 0.000 0.306 854 V C -0.295 175.688 176.094 -0.187 0.000 1.052 854 V CA -0.460 61.739 62.300 -0.167 0.000 0.885 854 V CB 2.022 33.701 31.823 -0.240 0.000 0.999 854 V HN 0.487 nan 8.190 nan 0.000 0.424 855 N N 4.300 122.834 118.700 -0.277 0.000 2.540 855 N HA 0.503 5.243 4.740 0.000 0.000 0.275 855 N C -1.261 173.999 175.510 -0.416 0.000 1.053 855 N CA -0.330 52.552 53.050 -0.281 0.000 0.876 855 N CB 1.119 39.457 38.487 -0.248 0.000 1.284 855 N HN 0.608 nan 8.380 nan 0.000 0.518 856 I N 3.055 123.414 120.570 -0.352 0.000 2.304 856 I HA 0.281 4.451 4.170 0.000 0.000 0.291 856 I C 0.277 176.195 176.117 -0.331 0.000 1.018 856 I CA -0.492 60.577 61.300 -0.385 0.000 1.260 856 I CB 0.886 38.700 38.000 -0.310 0.000 1.390 856 I HN 0.236 nan 8.210 nan 0.000 0.475 857 K N 5.721 125.837 120.400 -0.473 0.000 2.156 857 K HA 0.655 4.975 4.320 0.000 0.000 0.254 857 K C -0.935 175.403 176.600 -0.438 0.000 0.950 857 K CA -0.830 55.114 56.287 -0.573 0.000 0.849 857 K CB 1.845 33.773 32.500 -0.953 0.000 1.100 857 K HN 0.677 nan 8.250 nan 0.000 0.434 858 H N -1.542 117.322 119.070 -0.344 0.000 2.990 858 H HA 0.309 4.865 4.556 0.000 0.000 0.343 858 H C 0.448 175.835 175.328 0.099 0.000 1.270 858 H CA -0.988 55.007 56.048 -0.089 0.000 1.118 858 H CB 0.474 30.159 29.762 -0.128 0.000 1.861 858 H HN 0.255 nan 8.280 nan 0.000 0.544 859 I N 0.091 120.803 120.570 0.237 0.000 2.226 859 I HA -0.158 4.012 4.170 0.000 0.000 0.245 859 I C 2.456 178.614 176.117 0.068 0.000 1.100 859 I CA 1.277 62.698 61.300 0.201 0.000 1.374 859 I CB -0.846 37.255 38.000 0.169 0.000 1.057 859 I HN 0.711 nan 8.210 nan 0.000 0.413 860 R N 1.827 122.310 120.500 -0.028 0.000 2.117 860 R HA -0.190 4.150 4.340 0.000 0.000 0.243 860 R C 1.918 177.869 176.300 -0.581 0.000 1.143 860 R CA 1.504 57.421 56.100 -0.306 0.000 0.968 860 R CB -0.550 29.708 30.300 -0.070 0.000 0.863 860 R HN 0.440 nan 8.270 nan 0.000 0.444 861 E N -0.911 118.984 120.200 -0.509 0.000 2.409 861 E HA -0.093 4.257 4.350 0.000 0.000 0.198 861 E C 0.905 177.337 176.600 -0.280 0.000 1.024 861 E CA 1.379 57.520 56.400 -0.432 0.000 0.861 861 E CB 0.060 29.453 29.700 -0.511 0.000 0.788 861 E HN 0.601 nan 8.360 nan 0.000 0.521 862 T N -1.812 112.621 114.554 -0.202 0.000 3.086 862 T HA 0.030 4.380 4.350 0.000 0.000 0.250 862 T C 0.115 174.878 174.700 0.106 0.000 1.074 862 T CA -0.303 61.803 62.100 0.010 0.000 0.988 862 T CB -0.258 68.700 68.868 0.149 0.000 0.988 862 T HN 0.199 nan 8.240 nan 0.000 0.530 863 Y N -1.089 119.212 120.300 0.002 0.000 2.588 863 Y HA 0.763 5.313 4.550 0.000 0.000 0.343 863 Y C -0.805 175.100 175.900 0.008 0.000 1.065 863 Y CA -2.084 56.026 58.100 0.017 0.000 1.038 863 Y CB 1.452 39.929 38.460 0.028 0.000 1.297 863 Y HN -0.089 nan 8.280 nan 0.000 0.467 864 K N 1.951 122.471 120.400 0.200 0.000 2.206 864 K HA 0.328 4.648 4.320 0.000 0.000 0.264 864 K C -1.039 175.666 176.600 0.174 0.000 0.967 864 K CA -0.525 55.820 56.287 0.096 0.000 0.844 864 K CB 1.130 33.667 32.500 0.063 0.000 1.099 864 K HN 0.811 nan 8.250 nan 0.000 0.441 865 E N 3.114 123.363 120.200 0.082 0.000 2.266 865 E HA 0.168 4.518 4.350 0.000 0.000 0.277 865 E C -0.363 176.195 176.600 -0.071 0.000 1.018 865 E CA -0.519 55.930 56.400 0.082 0.000 0.840 865 E CB 1.275 31.008 29.700 0.057 0.000 1.082 865 E HN 0.545 nan 8.360 nan 0.000 0.395 866 H N 0.813 119.877 119.070 -0.009 0.000 2.595 866 H HA 0.211 4.767 4.556 0.000 0.000 0.346 866 H C 0.631 175.929 175.328 -0.049 0.000 1.181 866 H CA -0.686 55.335 56.048 -0.044 0.000 1.242 866 H CB 1.099 30.869 29.762 0.013 0.000 1.652 866 H HN 0.447 nan 8.280 nan 0.000 0.548 867 H N 0.000 119.148 119.070 0.131 0.000 2.539 867 H HA 0.000 4.556 4.556 0.000 0.000 0.296 867 H CA 0.000 56.097 56.048 0.082 0.000 1.023 867 H CB 0.000 29.803 29.762 0.068 0.000 1.292 867 H HN 0.000 nan 8.280 nan 0.000 0.496