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 2e6k_1_D DATA FIRST_RESID 5 DATA SEQUENCE RDLETLSVNA IRFLAIDAVE KARSGHPGXP XGXAPLAYLL FREVXRHNPL DATA SEQUENCE DPDWPDRDRF VLSAGHGSXL LYAVLHLTGY DLPLEELKSF RQWGSKTPGH DATA SEQUENCE PERGHTPGVE VTTGPLGQGI STAVGLALAE RKLAAEFNRP GHVVVDHYTY DATA SEQUENCE VLASDGDLXE GVSGEAASLA GHWGLSKLIV FWDDNRISID GPTDLAFTED DATA SEQUENCE VLARYRAYGW QTLRVEDVND LEALRKAIKL AKLDERPTLI AVRSHIGFGS DATA SEQUENCE PKQDSAKAHG EPLGPEAVEA TRRNLGWPYP PFVVPEEVYR HXDXREKGRA DATA SEQUENCE WQEAWEKALE AYARAYPDLH QELXRRLRGE LPPLPEEPPS FDKPIATRAA DATA SEQUENCE SGRALNLLAP RLPELLGGSA DLTPSNNTKA EGXEDFSRAN PLGRYLHFGV DATA SEQUENCE REHAXGAILN GLNLHGGYRA YGGTFLVFSD YXRPAIRLAA LXGVPTVFVF DATA SEQUENCE THDSIALGED GPTHQPVEHL XSLRAXPNLF VIRPADAYET FYAWLVALRR DATA SEQUENCE KEGPTALVLT RQAVPLLSPE KARGLLRGGY VLEDVEEPQG VLVATGSEVH DATA SEQUENCE LALRAQALLR EKGVRVRVVS LPSFELFAAQ PEAYRKEVLP PGLPVVAVEA DATA SEQUENCE GASLGWERYA HKVVALDRFG ASAPYPEVYE RLGFTPERVA EAFLSLV 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 5 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.316 176.300 0.026 0.000 0.893 5 R CA 0.000 56.113 56.100 0.021 0.000 0.921 5 R CB 0.000 30.315 30.300 0.026 0.000 0.687 6 D N 1.641 122.044 120.400 0.005 0.000 2.371 6 D HA 0.004 4.643 4.640 -0.003 0.000 0.221 6 D C 1.761 178.062 176.300 0.002 0.000 0.986 6 D CA 1.203 55.211 54.000 0.013 0.000 0.899 6 D CB 0.076 40.883 40.800 0.010 0.000 0.902 6 D HN 0.656 nan 8.370 nan 0.000 0.530 7 L N -2.504 118.697 121.223 -0.035 0.000 2.552 7 L HA 0.199 4.538 4.340 -0.003 0.000 0.227 7 L C 1.581 178.442 176.870 -0.014 0.000 1.146 7 L CA 0.417 55.220 54.840 -0.062 0.000 0.858 7 L CB -0.328 41.596 42.059 -0.223 0.000 0.969 7 L HN -0.064 nan 8.230 nan 0.000 0.451 8 E N 1.107 121.332 120.200 0.043 0.000 2.001 8 E HA -0.218 4.130 4.350 -0.003 0.000 0.193 8 E C 2.146 178.672 176.600 -0.123 0.000 0.994 8 E CA 1.925 58.344 56.400 0.031 0.000 0.815 8 E CB -0.341 29.478 29.700 0.199 0.000 0.770 8 E HN 0.483 nan 8.360 nan 0.000 0.453 9 T N 0.841 115.389 114.554 -0.010 0.000 2.760 9 T HA -0.209 4.139 4.350 -0.003 0.000 0.269 9 T C 1.866 176.584 174.700 0.030 0.000 1.047 9 T CA 1.210 63.318 62.100 0.013 0.000 1.139 9 T CB -0.203 68.705 68.868 0.067 0.000 0.855 9 T HN 0.001 nan 8.240 nan 0.000 0.471 10 L N 0.878 122.119 121.223 0.030 0.000 1.988 10 L HA 0.050 4.388 4.340 -0.003 0.000 0.207 10 L C 2.881 179.771 176.870 0.034 0.000 1.071 10 L CA 2.214 57.114 54.840 0.100 0.000 0.744 10 L CB -1.015 41.067 42.059 0.038 0.000 0.893 10 L HN 0.220 nan 8.230 nan 0.000 0.433 11 S N -1.070 114.543 115.700 -0.145 0.000 2.359 11 S HA -0.206 4.263 4.470 -0.003 0.000 0.224 11 S C 2.009 176.398 174.600 -0.352 0.000 1.035 11 S CA 1.503 59.533 58.200 -0.284 0.000 1.018 11 S CB -0.603 62.305 63.200 -0.486 0.000 0.876 11 S HN 0.319 nan 8.310 nan 0.000 0.448 12 V N 3.131 122.783 119.914 -0.437 0.000 2.282 12 V HA -0.216 3.902 4.120 -0.003 0.000 0.249 12 V C 1.974 177.958 176.094 -0.182 0.000 1.057 12 V CA 1.744 63.866 62.300 -0.296 0.000 1.032 12 V CB -0.714 30.993 31.823 -0.194 0.000 0.645 12 V HN 0.484 nan 8.190 nan 0.000 0.447 13 N N -0.110 118.529 118.700 -0.102 0.000 2.494 13 N HA 0.020 4.759 4.740 -0.003 0.000 0.182 13 N C 1.733 176.940 175.510 -0.504 0.000 1.076 13 N CA 1.163 54.138 53.050 -0.125 0.000 0.908 13 N CB -0.070 38.513 38.487 0.160 0.000 0.967 13 N HN 0.524 nan 8.380 nan 0.000 0.449 14 A N 1.261 123.857 122.820 -0.373 0.000 1.872 14 A HA -0.002 4.317 4.320 -0.003 0.000 0.214 14 A C 2.242 179.654 177.584 -0.287 0.000 1.187 14 A CA 0.648 52.477 52.037 -0.347 0.000 0.614 14 A CB -0.403 18.522 19.000 -0.125 0.000 0.826 14 A HN 0.137 nan 8.150 nan 0.000 0.442 15 I N -0.832 119.595 120.570 -0.239 0.000 2.163 15 I HA -0.271 3.897 4.170 -0.003 0.000 0.240 15 I C 2.758 178.728 176.117 -0.245 0.000 1.081 15 I CA 1.462 62.641 61.300 -0.202 0.000 1.353 15 I CB -0.531 37.369 38.000 -0.167 0.000 1.054 15 I HN 0.281 nan 8.210 nan 0.000 0.407 16 R N 0.429 120.759 120.500 -0.284 0.000 2.112 16 R HA -0.214 4.124 4.340 -0.003 0.000 0.242 16 R C 2.294 178.285 176.300 -0.514 0.000 1.137 16 R CA 1.968 57.839 56.100 -0.383 0.000 0.944 16 R CB -0.564 29.476 30.300 -0.433 0.000 0.857 16 R HN 0.241 nan 8.270 nan 0.000 0.435 17 F N 0.509 120.144 119.950 -0.525 0.000 2.206 17 F HA -0.048 4.478 4.527 -0.003 0.000 0.298 17 F C 2.269 177.813 175.800 -0.427 0.000 1.090 17 F CA 0.755 58.437 58.000 -0.529 0.000 1.323 17 F CB -0.352 38.120 39.000 -0.879 0.000 1.028 17 F HN -0.062 nan 8.300 nan 0.000 0.492 18 L N -0.230 120.855 121.223 -0.230 0.000 2.021 18 L HA -0.330 4.009 4.340 -0.003 0.000 0.215 18 L C 2.696 179.369 176.870 -0.329 0.000 1.074 18 L CA 1.468 56.145 54.840 -0.272 0.000 0.760 18 L CB -0.877 41.100 42.059 -0.136 0.000 0.889 18 L HN 0.207 nan 8.230 nan 0.000 0.433 19 A N -0.094 122.559 122.820 -0.278 0.000 1.872 19 A HA -0.160 4.159 4.320 -0.003 0.000 0.214 19 A C 2.098 179.526 177.584 -0.260 0.000 1.187 19 A CA 1.183 53.051 52.037 -0.281 0.000 0.614 19 A CB -0.457 18.387 19.000 -0.259 0.000 0.826 19 A HN 0.277 nan 8.150 nan 0.000 0.442 20 I N 1.171 121.576 120.570 -0.275 0.000 2.145 20 I HA -0.279 3.890 4.170 -0.003 0.000 0.244 20 I C 1.856 177.881 176.117 -0.153 0.000 1.075 20 I CA 1.931 63.096 61.300 -0.225 0.000 1.332 20 I CB -1.634 36.194 38.000 -0.287 0.000 1.033 20 I HN 0.374 nan 8.210 nan 0.000 0.410 21 D N 1.017 121.288 120.400 -0.215 0.000 2.097 21 D HA -0.094 4.545 4.640 -0.003 0.000 0.197 21 D C 2.279 178.493 176.300 -0.142 0.000 0.984 21 D CA 1.557 55.415 54.000 -0.235 0.000 0.826 21 D CB -0.165 40.301 40.800 -0.557 0.000 0.973 21 D HN 0.332 nan 8.370 nan 0.000 0.460 22 A N 1.193 123.884 122.820 -0.216 0.000 1.883 22 A HA -0.155 4.163 4.320 -0.003 0.000 0.217 22 A C 2.616 180.295 177.584 0.158 0.000 1.186 22 A CA 1.532 53.642 52.037 0.122 0.000 0.624 22 A CB -0.871 18.138 19.000 0.015 0.000 0.822 22 A HN 0.144 nan 8.150 nan 0.000 0.444 23 V N -0.065 119.873 119.914 0.039 0.000 2.295 23 V HA -0.240 3.879 4.120 -0.003 0.000 0.246 23 V C 2.570 178.725 176.094 0.102 0.000 1.049 23 V CA 2.374 64.737 62.300 0.105 0.000 1.024 23 V CB -0.841 30.992 31.823 0.017 0.000 0.648 23 V HN 0.687 nan 8.190 nan 0.000 0.447 24 E N 0.656 120.890 120.200 0.057 0.000 2.118 24 E HA -0.256 4.093 4.350 -0.003 0.000 0.195 24 E C 2.206 178.869 176.600 0.106 0.000 0.992 24 E CA 1.778 58.216 56.400 0.065 0.000 0.804 24 E CB -0.274 29.454 29.700 0.047 0.000 0.741 24 E HN 0.581 nan 8.360 nan 0.000 0.458 25 K N -0.787 119.707 120.400 0.157 0.000 2.076 25 K HA 0.037 4.356 4.320 -0.003 0.000 0.204 25 K C 1.926 178.619 176.600 0.155 0.000 1.051 25 K CA 0.978 57.372 56.287 0.178 0.000 0.949 25 K CB -0.170 32.491 32.500 0.268 0.000 0.726 25 K HN 0.148 nan 8.250 nan 0.000 0.443 26 A N 1.029 123.960 122.820 0.185 0.000 2.119 26 A HA -0.043 4.276 4.320 -0.003 0.000 0.217 26 A C 1.074 178.729 177.584 0.118 0.000 1.153 26 A CA 1.076 53.211 52.037 0.164 0.000 0.692 26 A CB -0.326 18.815 19.000 0.235 0.000 0.799 26 A HN 0.535 nan 8.150 nan 0.000 0.458 27 R N -1.207 119.357 120.500 0.106 0.000 3.758 27 R HA -0.158 4.180 4.340 -0.003 0.000 0.299 27 R C -0.200 176.139 176.300 0.066 0.000 1.182 27 R CA 1.027 57.170 56.100 0.073 0.000 0.809 27 R CB -2.309 28.026 30.300 0.060 0.000 1.249 27 R HN 0.743 nan 8.270 nan 0.000 0.497 28 S N -1.924 113.832 115.700 0.093 0.000 2.543 28 S HA 0.742 5.211 4.470 -0.003 0.000 0.274 28 S C -0.483 174.211 174.600 0.157 0.000 1.149 28 S CA 0.465 58.718 58.200 0.087 0.000 0.866 28 S CB 1.608 64.853 63.200 0.075 0.000 1.111 28 S HN 1.250 nan 8.310 nan 0.000 0.457 29 G N 2.497 111.375 108.800 0.131 0.000 2.354 29 G HA2 0.234 4.192 3.960 -0.003 0.000 0.582 29 G HA3 0.234 4.192 3.960 -0.003 0.000 0.582 29 G C -2.161 172.777 174.900 0.062 0.000 1.316 29 G CA -0.885 44.378 45.100 0.272 0.000 0.995 29 G HN 0.936 nan 8.290 nan 0.000 0.573 30 H N 1.461 120.503 119.070 -0.046 0.000 2.691 30 H HA 0.511 5.066 4.556 -0.003 0.000 0.281 30 H C -1.406 173.817 175.328 -0.176 0.000 1.121 30 H CA -1.319 54.611 56.048 -0.197 0.000 1.254 30 H CB 1.858 31.435 29.762 -0.307 0.000 1.390 30 H HN 0.353 nan 8.280 nan 0.000 0.491 31 P HA 0.058 nan 4.420 nan 0.000 0.218 31 P C 1.090 178.327 177.300 -0.105 0.000 1.147 31 P CA 0.386 63.419 63.100 -0.112 0.000 0.863 31 P CB 0.505 32.136 31.700 -0.117 0.000 0.812 39 P HA -0.178 nan 4.420 nan 0.000 0.217 39 P C 1.588 178.890 177.300 0.004 0.000 1.151 39 P CA 1.659 64.808 63.100 0.081 0.000 0.849 39 P CB -0.150 31.558 31.700 0.014 0.000 0.787 40 L N -0.136 121.037 121.223 -0.085 0.000 2.044 40 L HA 0.030 4.369 4.340 -0.003 0.000 0.205 40 L C 2.540 179.255 176.870 -0.259 0.000 1.075 40 L CA 2.006 56.723 54.840 -0.206 0.000 0.747 40 L CB -1.600 40.311 42.059 -0.246 0.000 0.903 40 L HN -0.090 nan 8.230 nan 0.000 0.435 41 A N -0.994 121.727 122.820 -0.166 0.000 1.858 41 A HA -0.292 4.027 4.320 -0.003 0.000 0.216 41 A C 2.333 179.920 177.584 0.005 0.000 1.190 41 A CA 1.823 53.781 52.037 -0.130 0.000 0.617 41 A CB -1.383 17.569 19.000 -0.081 0.000 0.827 41 A HN 0.653 nan 8.150 nan 0.000 0.443 42 Y N 0.152 120.392 120.300 -0.099 0.000 2.207 42 Y HA -0.179 4.369 4.550 -0.002 0.000 0.287 42 Y C 1.951 177.818 175.900 -0.056 0.000 1.156 42 Y CA 1.588 59.646 58.100 -0.069 0.000 1.182 42 Y CB -0.244 38.173 38.460 -0.072 0.000 0.979 42 Y HN 0.223 nan 8.280 nan 0.000 0.521 43 L N -0.223 120.780 121.223 -0.367 0.000 2.068 43 L HA -0.109 4.229 4.340 -0.003 0.000 0.204 43 L C 2.309 178.963 176.870 -0.359 0.000 1.076 43 L CA 1.478 56.047 54.840 -0.451 0.000 0.753 43 L CB -1.116 40.762 42.059 -0.302 0.000 0.910 43 L HN 0.399 nan 8.230 nan 0.000 0.439 44 L N -0.958 120.021 121.223 -0.405 0.000 1.970 44 L HA -0.300 4.039 4.340 -0.003 0.000 0.212 44 L C 2.550 179.115 176.870 -0.508 0.000 1.071 44 L CA 1.701 56.191 54.840 -0.584 0.000 0.751 44 L CB -0.692 40.853 42.059 -0.857 0.000 0.889 44 L HN 0.115 nan 8.230 nan 0.000 0.432 45 F N -0.459 119.261 119.950 -0.382 0.000 2.014 45 F HA -0.217 4.309 4.527 -0.003 0.000 0.295 45 F C 2.881 178.779 175.800 0.164 0.000 1.145 45 F CA 1.587 59.461 58.000 -0.211 0.000 1.178 45 F CB -0.644 38.232 39.000 -0.207 0.000 0.972 45 F HN -0.095 nan 8.300 nan 0.000 0.476 46 R N 0.305 120.953 120.500 0.247 0.000 2.113 46 R HA -0.226 4.112 4.340 -0.003 0.000 0.231 46 R C 2.272 178.633 176.300 0.103 0.000 1.129 46 R CA 2.302 58.487 56.100 0.142 0.000 0.915 46 R CB -0.530 29.731 30.300 -0.066 0.000 0.837 46 R HN 0.392 nan 8.270 nan 0.000 0.430 47 E N -0.398 119.773 120.200 -0.049 0.000 2.011 47 E HA -0.057 4.291 4.350 -0.003 0.000 0.191 47 E C 0.708 177.311 176.600 0.004 0.000 0.980 47 E CA 0.753 57.141 56.400 -0.022 0.000 0.814 47 E CB -0.029 29.606 29.700 -0.109 0.000 0.775 47 E HN 0.130 nan 8.360 nan 0.000 0.454 51 H N -0.673 118.476 119.070 0.132 0.000 3.012 51 H HA 0.492 5.047 4.556 -0.002 0.000 0.367 51 H C -1.093 174.571 175.328 0.560 0.000 1.211 51 H CA -1.141 55.198 56.048 0.486 0.000 1.139 51 H CB 1.823 31.824 29.762 0.398 0.000 1.838 51 H HN 0.197 nan 8.280 nan 0.000 0.550 52 N N 2.531 121.519 118.700 0.479 0.000 2.621 52 N HA 0.192 4.930 4.740 -0.003 0.000 0.237 52 N C -1.983 173.501 175.510 -0.044 0.000 0.997 52 N CA -2.846 50.282 53.050 0.130 0.000 0.918 52 N CB 1.263 39.759 38.487 0.015 0.000 1.122 52 N HN 0.535 nan 8.380 nan 0.000 0.510 53 P HA -0.126 nan 4.420 nan 0.000 0.234 53 P C 0.984 177.972 177.300 -0.519 0.000 1.162 53 P CA 0.431 62.865 63.100 -1.110 0.000 0.759 53 P CB 0.531 31.738 31.700 -0.821 0.000 0.813 54 L N -0.684 120.404 121.223 -0.226 0.000 2.463 54 L HA 0.371 4.710 4.340 -0.003 0.000 0.219 54 L C 0.085 176.938 176.870 -0.029 0.000 1.088 54 L CA 1.141 55.918 54.840 -0.105 0.000 0.849 54 L CB -0.035 41.971 42.059 -0.087 0.000 1.012 54 L HN -0.252 nan 8.230 nan 0.000 0.468 55 D N -1.336 119.073 120.400 0.015 0.000 2.411 55 D HA 0.260 4.898 4.640 -0.003 0.000 0.239 55 D C -2.196 174.222 176.300 0.196 0.000 1.307 55 D CA -1.526 52.532 54.000 0.097 0.000 0.930 55 D CB 1.298 42.150 40.800 0.086 0.000 1.395 55 D HN -0.091 nan 8.370 nan 0.000 0.536 56 P HA -0.028 nan 4.420 nan 0.000 0.226 56 P C 0.213 177.633 177.300 0.200 0.000 1.146 56 P CA 0.877 64.158 63.100 0.301 0.000 0.773 56 P CB 0.390 32.282 31.700 0.321 0.000 0.772 57 D N -3.084 117.413 120.400 0.161 0.000 2.328 57 D HA -0.016 4.622 4.640 -0.003 0.000 0.226 57 D C -0.012 176.352 176.300 0.107 0.000 1.066 57 D CA -0.186 53.873 54.000 0.098 0.000 0.861 57 D CB -0.473 40.378 40.800 0.084 0.000 0.912 57 D HN 0.169 nan 8.370 nan 0.000 0.521 58 W N 2.191 123.453 121.300 -0.062 0.000 2.712 58 W HA 0.118 4.776 4.660 -0.004 0.000 0.345 58 W C -1.850 174.443 176.519 -0.376 0.000 1.424 58 W CA -2.485 54.760 57.345 -0.167 0.000 1.375 58 W CB 0.289 29.674 29.460 -0.126 0.000 1.483 58 W HN 0.014 nan 8.180 nan 0.000 0.561 59 P HA -0.261 nan 4.420 nan 0.000 0.218 59 P C 0.761 177.298 177.300 -1.272 0.000 1.146 59 P CA 2.140 64.805 63.100 -0.726 0.000 0.820 59 P CB 0.261 31.742 31.700 -0.365 0.000 0.778 60 D N -1.901 117.316 120.400 -1.972 0.000 2.402 60 D HA 0.017 4.656 4.640 -0.003 0.000 0.216 60 D C 0.695 175.841 176.300 -1.924 0.000 1.128 60 D CA -0.374 52.478 54.000 -1.913 0.000 0.833 60 D CB -0.030 39.747 40.800 -1.704 0.000 0.971 60 D HN 0.107 nan 8.370 nan 0.000 0.503 61 R N -0.167 119.185 120.500 -1.913 0.000 2.863 61 R HA 0.143 4.481 4.340 -0.003 0.000 0.273 61 R C -0.515 175.465 176.300 -0.535 0.000 1.057 61 R CA -0.121 55.262 56.100 -1.195 0.000 1.191 61 R CB 0.247 30.287 30.300 -0.435 0.000 1.104 61 R HN -0.079 nan 8.270 nan 0.000 0.519 62 D N 1.479 121.744 120.400 -0.225 0.000 2.393 62 D HA 0.106 4.745 4.640 -0.003 0.000 0.232 62 D C -0.407 175.938 176.300 0.075 0.000 1.192 62 D CA -0.264 53.754 54.000 0.029 0.000 0.882 62 D CB 0.805 41.684 40.800 0.130 0.000 1.038 62 D HN 0.231 nan 8.370 nan 0.000 0.499 63 R N 1.405 121.966 120.500 0.102 0.000 2.484 63 R HA 0.115 4.453 4.340 -0.003 0.000 0.293 63 R C -0.191 176.231 176.300 0.203 0.000 1.023 63 R CA -0.093 56.075 56.100 0.112 0.000 1.037 63 R CB -0.181 30.178 30.300 0.099 0.000 0.951 63 R HN 0.323 nan 8.270 nan 0.000 0.418 64 F N 4.102 124.045 119.950 -0.011 0.000 2.359 64 F HA 0.365 4.890 4.527 -0.003 0.000 0.369 64 F C -0.914 174.896 175.800 0.018 0.000 1.084 64 F CA -1.269 56.712 58.000 -0.032 0.000 1.096 64 F CB 0.782 39.626 39.000 -0.259 0.000 1.335 64 F HN 0.163 nan 8.300 nan 0.000 0.457 65 V N 7.082 126.744 119.914 -0.421 0.000 2.461 65 V HA 0.145 4.263 4.120 -0.003 0.000 0.275 65 V C -0.053 175.617 176.094 -0.707 0.000 1.047 65 V CA -0.580 61.463 62.300 -0.428 0.000 0.955 65 V CB 1.193 32.919 31.823 -0.161 0.000 0.988 65 V HN 0.628 nan 8.190 nan 0.000 0.471 66 L N 5.053 125.893 121.223 -0.638 0.000 2.449 66 L HA 0.343 4.682 4.340 -0.003 0.000 0.255 66 L C 1.543 178.295 176.870 -0.197 0.000 1.167 66 L CA 0.780 55.340 54.840 -0.467 0.000 1.090 66 L CB 0.483 42.346 42.059 -0.327 0.000 1.385 66 L HN 0.732 nan 8.230 nan 0.000 0.411 67 S N 3.256 118.872 115.700 -0.139 0.000 2.372 67 S HA -0.148 4.321 4.470 -0.003 0.000 0.227 67 S C 1.338 175.872 174.600 -0.110 0.000 1.044 67 S CA 1.320 59.467 58.200 -0.089 0.000 1.050 67 S CB -0.108 63.068 63.200 -0.041 0.000 0.901 67 S HN 0.795 nan 8.310 nan 0.000 0.447 68 A N 0.844 123.625 122.820 -0.065 0.000 3.037 68 A HA 0.527 4.846 4.320 -0.003 0.000 0.272 68 A C 1.400 178.912 177.584 -0.119 0.000 1.723 68 A CA 0.307 52.256 52.037 -0.146 0.000 1.413 68 A CB -0.890 18.264 19.000 0.256 0.000 1.112 68 A HN 0.561 nan 8.150 nan 0.000 0.606 69 G N 0.707 109.412 108.800 -0.158 0.000 2.479 69 G HA2 -0.272 3.686 3.960 -0.003 0.000 0.220 69 G HA3 -0.272 3.686 3.960 -0.003 0.000 0.220 69 G C 1.172 176.061 174.900 -0.018 0.000 1.115 69 G CA 1.162 46.270 45.100 0.014 0.000 0.757 69 G HN 1.033 nan 8.290 nan 0.000 0.560 70 H N -1.103 117.925 119.070 -0.069 0.000 2.560 70 H HA 0.101 4.655 4.556 -0.003 0.000 0.283 70 H C 1.764 176.810 175.328 -0.471 0.000 1.028 70 H CA 0.147 55.870 56.048 -0.541 0.000 1.221 70 H CB 0.055 29.501 29.762 -0.526 0.000 1.363 70 H HN 0.260 nan 8.280 nan 0.000 0.594 71 G N 1.660 110.493 108.800 0.055 0.000 4.291 71 G HA2 0.150 4.108 3.960 -0.003 0.000 0.304 71 G HA3 0.150 4.108 3.960 -0.003 0.000 0.304 71 G C 0.262 175.089 174.900 -0.123 0.000 1.264 71 G CA -0.095 44.991 45.100 -0.023 0.000 1.039 71 G HN 0.444 nan 8.290 nan 0.000 0.578 75 L N -0.111 121.050 121.223 -0.103 0.000 2.313 75 L HA -0.009 4.330 4.340 -0.003 0.000 0.214 75 L C 2.134 178.986 176.870 -0.030 0.000 1.119 75 L CA 1.641 56.467 54.840 -0.024 0.000 0.809 75 L CB -0.423 41.695 42.059 0.097 0.000 0.933 75 L HN 0.445 nan 8.230 nan 0.000 0.449 76 Y N 0.436 120.710 120.300 -0.043 0.000 2.130 76 Y HA -0.029 4.519 4.550 -0.003 0.000 0.287 76 Y C 2.859 178.732 175.900 -0.044 0.000 1.124 76 Y CA 0.784 58.865 58.100 -0.031 0.000 1.118 76 Y CB -1.387 37.069 38.460 -0.007 0.000 0.994 76 Y HN 0.192 nan 8.280 nan 0.000 0.497 77 A N -0.024 122.856 122.820 0.100 0.000 1.873 77 A HA -0.225 4.093 4.320 -0.003 0.000 0.218 77 A C 2.564 180.139 177.584 -0.015 0.000 1.193 77 A CA 2.401 54.468 52.037 0.051 0.000 0.629 77 A CB -1.478 17.497 19.000 -0.042 0.000 0.826 77 A HN 0.310 nan 8.150 nan 0.000 0.447 78 V N 0.040 119.858 119.914 -0.161 0.000 2.332 78 V HA -0.244 3.874 4.120 -0.003 0.000 0.248 78 V C 2.391 178.250 176.094 -0.391 0.000 1.055 78 V CA 2.308 64.401 62.300 -0.344 0.000 1.038 78 V CB -0.463 30.989 31.823 -0.619 0.000 0.651 78 V HN 0.578 nan 8.190 nan 0.000 0.450 79 L N -0.343 120.664 121.223 -0.360 0.000 2.079 79 L HA -0.205 4.133 4.340 -0.003 0.000 0.210 79 L C 2.535 179.502 176.870 0.161 0.000 1.081 79 L CA 2.124 56.803 54.840 -0.268 0.000 0.752 79 L CB -0.704 41.214 42.059 -0.235 0.000 0.896 79 L HN 0.592 nan 8.230 nan 0.000 0.433 80 H N 0.207 119.319 119.070 0.070 0.000 2.294 80 H HA -0.092 4.462 4.556 -0.003 0.000 0.306 80 H C 2.150 177.584 175.328 0.177 0.000 1.065 80 H CA 1.500 57.642 56.048 0.155 0.000 1.343 80 H CB -0.286 29.564 29.762 0.147 0.000 1.396 80 H HN 0.099 nan 8.280 nan 0.000 0.506 81 L N 0.359 121.525 121.223 -0.095 0.000 2.129 81 L HA -0.184 4.155 4.340 -0.003 0.000 0.212 81 L C 2.377 179.224 176.870 -0.039 0.000 1.087 81 L CA 1.916 56.648 54.840 -0.181 0.000 0.757 81 L CB -0.769 41.179 42.059 -0.184 0.000 0.896 81 L HN 0.552 nan 8.230 nan 0.000 0.434 82 T N -4.105 110.477 114.554 0.047 0.000 3.088 82 T HA 0.220 4.569 4.350 -0.003 0.000 0.259 82 T C 1.365 176.169 174.700 0.172 0.000 1.122 82 T CA 0.553 62.746 62.100 0.155 0.000 1.095 82 T CB 0.556 69.602 68.868 0.298 0.000 0.930 82 T HN 0.491 nan 8.240 nan 0.000 0.508 83 G N -0.114 108.789 108.800 0.171 0.000 2.159 83 G HA2 -0.146 3.813 3.960 -0.003 0.000 0.170 83 G HA3 -0.146 3.813 3.960 -0.003 0.000 0.170 83 G C -0.209 174.753 174.900 0.104 0.000 1.007 83 G CA -0.525 44.639 45.100 0.107 0.000 0.672 83 G HN 0.516 nan 8.290 nan 0.000 0.507 84 Y N 0.476 120.859 120.300 0.138 0.000 2.299 84 Y HA 0.413 4.962 4.550 -0.002 0.000 0.335 84 Y C 1.133 177.122 175.900 0.149 0.000 1.287 84 Y CA 0.109 58.300 58.100 0.150 0.000 1.424 84 Y CB 0.521 39.076 38.460 0.159 0.000 1.326 84 Y HN 0.115 nan 8.280 nan 0.000 0.567 85 D N 1.876 122.438 120.400 0.270 0.000 2.662 85 D HA 0.141 4.779 4.640 -0.003 0.000 0.228 85 D C -1.194 175.210 176.300 0.172 0.000 1.090 85 D CA 0.585 54.692 54.000 0.179 0.000 1.118 85 D CB -0.992 39.887 40.800 0.132 0.000 1.129 85 D HN 0.341 nan 8.370 nan 0.000 0.472 86 L N 3.100 124.440 121.223 0.195 0.000 2.489 86 L HA 0.353 4.691 4.340 -0.003 0.000 0.257 86 L C -2.265 174.603 176.870 -0.005 0.000 1.215 86 L CA -1.851 53.051 54.840 0.103 0.000 0.915 86 L CB 1.783 43.919 42.059 0.127 0.000 1.146 86 L HN 0.073 nan 8.230 nan 0.000 0.494 87 P HA -0.056 nan 4.420 nan 0.000 0.267 87 P C 0.737 177.844 177.300 -0.321 0.000 1.201 87 P CA -0.269 62.757 63.100 -0.124 0.000 0.775 87 P CB 0.836 32.507 31.700 -0.048 0.000 0.854 88 L N 2.577 123.593 121.223 -0.344 0.000 2.261 88 L HA -0.179 4.160 4.340 -0.003 0.000 0.216 88 L C 1.871 178.629 176.870 -0.188 0.000 1.114 88 L CA 1.912 56.599 54.840 -0.255 0.000 0.777 88 L CB -1.042 41.015 42.059 -0.003 0.000 0.910 88 L HN 0.316 nan 8.230 nan 0.000 0.440 89 E N -0.376 119.733 120.200 -0.152 0.000 2.106 89 E HA -0.183 4.166 4.350 -0.003 0.000 0.192 89 E C 1.964 178.496 176.600 -0.114 0.000 0.984 89 E CA 1.134 57.453 56.400 -0.136 0.000 0.806 89 E CB -0.068 29.581 29.700 -0.084 0.000 0.750 89 E HN 0.467 nan 8.360 nan 0.000 0.458 90 E N 0.078 120.219 120.200 -0.098 0.000 2.152 90 E HA -0.069 4.280 4.350 -0.003 0.000 0.192 90 E C 2.134 178.720 176.600 -0.024 0.000 0.983 90 E CA 0.616 56.976 56.400 -0.067 0.000 0.818 90 E CB -0.132 29.519 29.700 -0.081 0.000 0.758 90 E HN 0.390 nan 8.360 nan 0.000 0.467 91 L N 0.295 121.511 121.223 -0.012 0.000 2.217 91 L HA -0.069 4.269 4.340 -0.003 0.000 0.211 91 L C 1.997 179.005 176.870 0.229 0.000 1.107 91 L CA 0.894 55.825 54.840 0.151 0.000 0.783 91 L CB -0.306 41.900 42.059 0.244 0.000 0.919 91 L HN -0.020 nan 8.230 nan 0.000 0.442 92 K N -0.421 119.930 120.400 -0.081 0.000 2.487 92 K HA 0.059 4.378 4.320 -0.003 0.000 0.192 92 K C 1.168 177.760 176.600 -0.013 0.000 1.027 92 K CA 0.300 56.427 56.287 -0.266 0.000 1.054 92 K CB 0.236 32.384 32.500 -0.588 0.000 0.824 92 K HN 0.084 nan 8.250 nan 0.000 0.510 93 S N 0.498 116.229 115.700 0.052 0.000 2.749 93 S HA 0.134 4.602 4.470 -0.003 0.000 0.246 93 S C -0.289 174.377 174.600 0.110 0.000 1.023 93 S CA -0.699 57.540 58.200 0.065 0.000 1.012 93 S CB -0.051 63.159 63.200 0.016 0.000 0.942 93 S HN 0.254 nan 8.310 nan 0.000 0.531 94 F N 3.896 123.868 119.950 0.038 0.000 2.623 94 F HA 0.084 4.609 4.527 -0.003 0.000 0.386 94 F C 1.170 177.008 175.800 0.064 0.000 1.068 94 F CA 0.551 58.581 58.000 0.050 0.000 1.265 94 F CB -0.005 39.069 39.000 0.124 0.000 1.026 94 F HN 0.225 nan 8.300 nan 0.000 0.568 95 R N 1.545 121.648 120.500 -0.661 0.000 3.776 95 R HA -0.192 4.147 4.340 -0.003 0.000 0.312 95 R C -0.789 175.417 176.300 -0.157 0.000 1.181 95 R CA 0.647 56.453 56.100 -0.491 0.000 0.836 95 R CB -1.417 28.575 30.300 -0.513 0.000 1.324 95 R HN 0.628 nan 8.270 nan 0.000 0.501 96 Q N -0.321 119.429 119.800 -0.083 0.000 2.348 96 Q HA 0.193 4.532 4.340 -0.003 0.000 0.271 96 Q C -0.197 175.842 176.000 0.065 0.000 1.067 96 Q CA -0.640 55.183 55.803 0.033 0.000 0.839 96 Q CB 0.829 29.603 28.738 0.060 0.000 1.354 96 Q HN 0.220 nan 8.270 nan 0.000 0.447 97 W N 1.880 123.165 121.300 -0.025 0.000 2.476 97 W HA 0.005 4.663 4.660 -0.002 0.000 0.338 97 W C 0.806 177.327 176.519 0.003 0.000 1.328 97 W CA 2.402 59.741 57.345 -0.010 0.000 1.300 97 W CB 0.043 29.502 29.460 -0.002 0.000 1.252 97 W HN 0.952 nan 8.180 nan 0.000 0.568 98 G N 3.397 111.823 108.800 -0.623 0.000 2.284 98 G HA2 -0.387 3.572 3.960 -0.003 0.000 0.261 98 G HA3 -0.387 3.572 3.960 -0.003 0.000 0.261 98 G C 0.605 175.428 174.900 -0.129 0.000 0.997 98 G CA 0.816 45.671 45.100 -0.408 0.000 0.621 98 G HN 1.223 nan 8.290 nan 0.000 0.534 99 S N -0.158 115.487 115.700 -0.090 0.000 2.572 99 S HA 0.359 4.828 4.470 -0.003 0.000 0.262 99 S C 1.208 175.788 174.600 -0.035 0.000 1.375 99 S CA 1.029 59.199 58.200 -0.050 0.000 0.996 99 S CB 0.784 63.952 63.200 -0.053 0.000 0.892 99 S HN 0.219 nan 8.310 nan 0.000 0.562 100 K N 0.679 121.055 120.400 -0.039 0.000 2.387 100 K HA 0.123 4.441 4.320 -0.003 0.000 0.198 100 K C 0.554 177.019 176.600 -0.225 0.000 1.022 100 K CA 0.370 56.645 56.287 -0.020 0.000 1.128 100 K CB -0.028 32.472 32.500 -0.001 0.000 0.853 100 K HN 0.858 nan 8.250 nan 0.000 0.523 101 T N 0.392 114.777 114.554 -0.281 0.000 3.390 101 T HA 0.275 4.623 4.350 -0.003 0.000 0.351 101 T C -2.632 171.953 174.700 -0.192 0.000 1.759 101 T CA -1.974 59.835 62.100 -0.486 0.000 1.561 101 T CB 1.251 69.985 68.868 -0.223 0.000 1.011 101 T HN -0.119 nan 8.240 nan 0.000 0.689 102 P HA 0.196 nan 4.420 nan 0.000 0.275 102 P C 1.456 178.686 177.300 -0.116 0.000 1.228 102 P CA -0.062 62.933 63.100 -0.174 0.000 0.786 102 P CB 0.961 32.554 31.700 -0.178 0.000 0.927 103 G N 1.922 110.530 108.800 -0.319 0.000 2.606 103 G HA2 -0.229 3.730 3.960 -0.003 0.000 0.223 103 G HA3 -0.229 3.730 3.960 -0.003 0.000 0.223 103 G C 0.137 174.895 174.900 -0.236 0.000 1.106 103 G CA 1.188 46.112 45.100 -0.293 0.000 0.745 103 G HN 0.677 nan 8.290 nan 0.000 0.597 104 H N -0.874 118.208 119.070 0.021 0.000 2.717 104 H HA 0.444 4.999 4.556 -0.003 0.000 0.366 104 H C -2.475 172.879 175.328 0.043 0.000 1.132 104 H CA -1.805 54.249 56.048 0.009 0.000 1.180 104 H CB 2.096 31.837 29.762 -0.035 0.000 1.678 104 H HN -0.107 nan 8.280 nan 0.000 0.537 105 P HA -0.054 nan 4.420 nan 0.000 0.263 105 P C -0.844 176.522 177.300 0.109 0.000 1.175 105 P CA 0.582 63.753 63.100 0.119 0.000 0.761 105 P CB 0.529 32.249 31.700 0.033 0.000 0.794 106 E N 2.193 122.464 120.200 0.118 0.000 2.316 106 E HA 0.190 4.538 4.350 -0.003 0.000 0.254 106 E C -0.371 176.305 176.600 0.125 0.000 0.902 106 E CA -1.001 55.449 56.400 0.083 0.000 0.801 106 E CB 1.222 30.925 29.700 0.004 0.000 1.270 106 E HN 0.254 nan 8.360 nan 0.000 0.414 107 R N 0.788 121.347 120.500 0.100 0.000 2.638 107 R HA -0.023 4.315 4.340 -0.003 0.000 0.268 107 R C 0.903 177.272 176.300 0.116 0.000 1.006 107 R CA 1.510 57.669 56.100 0.099 0.000 1.088 107 R CB 0.102 30.444 30.300 0.070 0.000 0.950 107 R HN 0.882 nan 8.270 nan 0.000 0.419 108 G N 2.463 111.328 108.800 0.108 0.000 2.203 108 G HA2 -0.301 3.657 3.960 -0.003 0.000 0.263 108 G HA3 -0.301 3.657 3.960 -0.003 0.000 0.263 108 G C 0.636 175.596 174.900 0.101 0.000 1.012 108 G CA 0.940 46.093 45.100 0.089 0.000 0.749 108 G HN 0.831 nan 8.290 nan 0.000 0.512 109 H N -0.874 118.222 119.070 0.044 0.000 2.573 109 H HA 0.210 4.764 4.556 -0.003 0.000 0.236 109 H C 0.296 175.644 175.328 0.033 0.000 0.907 109 H CA 1.592 57.655 56.048 0.025 0.000 1.058 109 H CB 1.056 30.827 29.762 0.015 0.000 1.417 109 H HN 0.279 nan 8.280 nan 0.000 0.425 110 T N 4.219 118.931 114.554 0.263 0.000 2.792 110 T HA 0.370 4.718 4.350 -0.003 0.000 0.280 110 T C -2.727 172.080 174.700 0.178 0.000 0.990 110 T CA -1.322 60.897 62.100 0.198 0.000 0.960 110 T CB 2.313 71.298 68.868 0.195 0.000 0.939 110 T HN 0.111 nan 8.240 nan 0.000 0.439 111 P HA 0.313 nan 4.420 nan 0.000 0.267 111 P C 1.084 178.516 177.300 0.219 0.000 1.205 111 P CA 0.817 64.052 63.100 0.225 0.000 0.765 111 P CB 0.486 32.347 31.700 0.268 0.000 0.828 112 G N 1.516 110.445 108.800 0.216 0.000 2.279 112 G HA2 -0.218 3.740 3.960 -0.003 0.000 0.223 112 G HA3 -0.218 3.740 3.960 -0.003 0.000 0.223 112 G C 0.025 174.997 174.900 0.120 0.000 1.015 112 G CA -0.229 44.916 45.100 0.074 0.000 0.621 112 G HN 0.518 nan 8.290 nan 0.000 0.506 113 V N 2.725 122.727 119.914 0.147 0.000 2.415 113 V HA 0.280 4.399 4.120 -0.003 0.000 0.267 113 V C 1.400 177.558 176.094 0.107 0.000 1.042 113 V CA 0.416 62.799 62.300 0.139 0.000 1.000 113 V CB 1.366 33.288 31.823 0.165 0.000 1.015 113 V HN 0.375 nan 8.190 nan 0.000 0.478 114 E N 3.521 123.768 120.200 0.078 0.000 2.170 114 E HA 0.074 4.422 4.350 -0.003 0.000 0.191 114 E C 0.167 176.788 176.600 0.035 0.000 0.981 114 E CA 0.734 57.166 56.400 0.054 0.000 0.830 114 E CB 0.646 30.369 29.700 0.038 0.000 0.775 114 E HN 0.515 nan 8.360 nan 0.000 0.470 115 V N 1.077 121.000 119.914 0.015 0.000 2.888 115 V HA 0.173 4.291 4.120 -0.003 0.000 0.309 115 V C -0.404 175.697 176.094 0.012 0.000 1.114 115 V CA -0.828 61.478 62.300 0.010 0.000 0.940 115 V CB 2.224 34.037 31.823 -0.016 0.000 1.021 115 V HN -0.079 nan 8.190 nan 0.000 0.426 116 T N 3.643 118.211 114.554 0.023 0.000 2.779 116 T HA 0.480 4.829 4.350 -0.003 0.000 0.296 116 T C 0.311 175.010 174.700 -0.003 0.000 0.938 116 T CA -0.033 62.082 62.100 0.025 0.000 1.119 116 T CB 0.465 69.351 68.868 0.030 0.000 0.891 116 T HN 0.996 nan 8.240 nan 0.000 0.526 117 T N -0.138 114.413 114.554 -0.006 0.000 2.910 117 T HA 0.850 5.198 4.350 -0.003 0.000 0.287 117 T C 0.870 175.528 174.700 -0.070 0.000 1.050 117 T CA -0.054 62.021 62.100 -0.043 0.000 1.011 117 T CB 2.151 70.984 68.868 -0.058 0.000 1.195 117 T HN 0.681 nan 8.240 nan 0.000 0.540 118 G N 0.229 108.934 108.800 -0.159 0.000 3.898 118 G HA2 0.046 4.004 3.960 -0.003 0.000 0.196 118 G HA3 0.046 4.004 3.960 -0.003 0.000 0.196 118 G C -2.681 172.033 174.900 -0.310 0.000 1.322 118 G CA -0.519 44.336 45.100 -0.409 0.000 0.942 118 G HN 0.818 nan 8.290 nan 0.000 0.400 119 P HA 0.468 nan 4.420 nan 0.000 0.273 119 P C 0.316 177.550 177.300 -0.110 0.000 1.319 119 P CA -0.461 62.561 63.100 -0.130 0.000 0.885 119 P CB 0.573 32.226 31.700 -0.079 0.000 1.015 120 L N 3.055 124.209 121.223 -0.115 0.000 2.678 120 L HA -0.033 4.305 4.340 -0.003 0.000 0.285 120 L C 1.828 178.643 176.870 -0.091 0.000 1.233 120 L CA 1.837 56.613 54.840 -0.107 0.000 0.920 120 L CB -1.536 40.471 42.059 -0.087 0.000 1.176 120 L HN 0.846 nan 8.230 nan 0.000 0.495 121 G N 2.268 111.011 108.800 -0.096 0.000 2.279 121 G HA2 -0.279 3.679 3.960 -0.003 0.000 0.223 121 G HA3 -0.279 3.679 3.960 -0.003 0.000 0.223 121 G C 0.959 175.799 174.900 -0.101 0.000 1.015 121 G CA 0.205 45.241 45.100 -0.107 0.000 0.621 121 G HN 0.508 nan 8.290 nan 0.000 0.506 122 Q N 0.788 120.543 119.800 -0.075 0.000 2.061 122 Q HA -0.033 4.306 4.340 -0.003 0.000 0.204 122 Q C 2.696 178.673 176.000 -0.038 0.000 0.984 122 Q CA 2.397 58.173 55.803 -0.045 0.000 0.846 122 Q CB -1.050 27.674 28.738 -0.022 0.000 0.902 122 Q HN 0.702 nan 8.270 nan 0.000 0.421 123 G N 1.682 110.453 108.800 -0.050 0.000 2.484 123 G HA2 -0.226 3.732 3.960 -0.003 0.000 0.215 123 G HA3 -0.226 3.732 3.960 -0.003 0.000 0.215 123 G C 1.469 176.354 174.900 -0.024 0.000 1.219 123 G CA 0.556 45.628 45.100 -0.046 0.000 0.791 123 G HN 0.300 nan 8.290 nan 0.000 0.550 124 I N 1.514 122.073 120.570 -0.019 0.000 2.194 124 I HA -0.176 3.992 4.170 -0.003 0.000 0.246 124 I C 2.705 178.842 176.117 0.034 0.000 1.093 124 I CA 1.878 63.191 61.300 0.022 0.000 1.355 124 I CB -0.770 37.237 38.000 0.011 0.000 1.046 124 I HN 0.138 nan 8.210 nan 0.000 0.413 125 S N 0.098 115.791 115.700 -0.010 0.000 2.345 125 S HA -0.154 4.314 4.470 -0.003 0.000 0.220 125 S C 1.839 176.455 174.600 0.027 0.000 1.031 125 S CA 2.000 60.192 58.200 -0.013 0.000 0.996 125 S CB -0.515 62.631 63.200 -0.090 0.000 0.882 125 S HN 0.535 nan 8.310 nan 0.000 0.445 126 T N 2.382 116.947 114.554 0.019 0.000 2.867 126 T HA 0.058 4.406 4.350 -0.003 0.000 0.268 126 T C 2.049 176.774 174.700 0.041 0.000 1.057 126 T CA 0.968 63.090 62.100 0.036 0.000 1.136 126 T CB -0.430 68.456 68.868 0.031 0.000 0.874 126 T HN 0.440 nan 8.240 nan 0.000 0.466 127 A N 1.033 123.874 122.820 0.035 0.000 2.076 127 A HA -0.049 4.270 4.320 -0.003 0.000 0.220 127 A C 2.470 180.083 177.584 0.047 0.000 1.160 127 A CA 1.086 53.145 52.037 0.037 0.000 0.653 127 A CB -0.850 18.174 19.000 0.040 0.000 0.801 127 A HN 0.399 nan 8.150 nan 0.000 0.455 128 V N -0.512 119.448 119.914 0.078 0.000 2.379 128 V HA -0.120 3.999 4.120 -0.003 0.000 0.245 128 V C 2.745 178.882 176.094 0.072 0.000 1.044 128 V CA 1.818 64.183 62.300 0.107 0.000 1.036 128 V CB -1.231 30.698 31.823 0.177 0.000 0.664 128 V HN 0.588 nan 8.190 nan 0.000 0.453 129 G N -0.566 108.271 108.800 0.062 0.000 2.448 129 G HA2 -0.163 3.795 3.960 -0.003 0.000 0.218 129 G HA3 -0.163 3.795 3.960 -0.003 0.000 0.218 129 G C 1.518 176.391 174.900 -0.046 0.000 1.135 129 G CA 0.543 45.649 45.100 0.010 0.000 0.784 129 G HN 0.394 nan 8.290 nan 0.000 0.543 130 L N 0.994 122.211 121.223 -0.010 0.000 2.072 130 L HA 0.255 4.594 4.340 -0.003 0.000 0.205 130 L C 3.046 179.856 176.870 -0.099 0.000 1.079 130 L CA 1.793 56.630 54.840 -0.005 0.000 0.752 130 L CB -0.465 41.623 42.059 0.047 0.000 0.906 130 L HN 0.224 nan 8.230 nan 0.000 0.436 131 A N -1.100 121.668 122.820 -0.086 0.000 1.930 131 A HA -0.131 4.187 4.320 -0.003 0.000 0.215 131 A C 2.279 179.747 177.584 -0.194 0.000 1.176 131 A CA 1.433 53.389 52.037 -0.135 0.000 0.632 131 A CB -0.813 18.134 19.000 -0.088 0.000 0.819 131 A HN 0.431 nan 8.150 nan 0.000 0.445 132 L N -0.672 120.446 121.223 -0.175 0.000 2.191 132 L HA -0.129 4.210 4.340 -0.003 0.000 0.212 132 L C 2.678 179.336 176.870 -0.354 0.000 1.103 132 L CA 1.250 55.924 54.840 -0.276 0.000 0.769 132 L CB -0.341 41.514 42.059 -0.340 0.000 0.908 132 L HN 0.413 nan 8.230 nan 0.000 0.438 133 A N 1.079 123.688 122.820 -0.352 0.000 1.834 133 A HA -0.300 4.018 4.320 -0.003 0.000 0.216 133 A C 2.007 179.259 177.584 -0.553 0.000 1.203 133 A CA 1.960 53.711 52.037 -0.477 0.000 0.621 133 A CB -0.869 17.720 19.000 -0.686 0.000 0.841 133 A HN 0.674 nan 8.150 nan 0.000 0.446 134 E N -0.339 119.448 120.200 -0.688 0.000 2.265 134 E HA -0.192 4.156 4.350 -0.003 0.000 0.196 134 E C 1.869 178.274 176.600 -0.326 0.000 0.996 134 E CA 1.664 57.739 56.400 -0.541 0.000 0.832 134 E CB -0.217 28.901 29.700 -0.971 0.000 0.756 134 E HN 0.514 nan 8.360 nan 0.000 0.491 135 R N 0.519 120.852 120.500 -0.278 0.000 2.062 135 R HA 0.098 4.437 4.340 -0.003 0.000 0.226 135 R C 2.159 178.393 176.300 -0.110 0.000 1.125 135 R CA 1.265 57.257 56.100 -0.180 0.000 0.966 135 R CB -0.155 30.048 30.300 -0.162 0.000 0.861 135 R HN -0.014 nan 8.270 nan 0.000 0.433 136 K N 0.253 120.557 120.400 -0.160 0.000 2.097 136 K HA -0.125 4.193 4.320 -0.003 0.000 0.206 136 K C 1.793 178.460 176.600 0.111 0.000 1.049 136 K CA 1.168 57.371 56.287 -0.141 0.000 0.933 136 K CB -0.248 31.992 32.500 -0.434 0.000 0.717 136 K HN 0.161 nan 8.250 nan 0.000 0.442 137 L N 0.386 121.736 121.223 0.212 0.000 2.162 137 L HA 0.072 4.411 4.340 -0.003 0.000 0.205 137 L C 2.089 179.108 176.870 0.249 0.000 1.086 137 L CA 1.478 56.502 54.840 0.306 0.000 0.778 137 L CB -0.564 41.638 42.059 0.237 0.000 0.928 137 L HN 0.088 nan 8.230 nan 0.000 0.446 138 A N -0.815 122.070 122.820 0.109 0.000 2.070 138 A HA 0.003 4.322 4.320 -0.003 0.000 0.220 138 A C 2.265 179.889 177.584 0.067 0.000 1.159 138 A CA 1.444 53.525 52.037 0.073 0.000 0.656 138 A CB -0.712 18.273 19.000 -0.026 0.000 0.800 138 A HN 0.468 nan 8.150 nan 0.000 0.453 139 A N -0.959 121.893 122.820 0.053 0.000 2.095 139 A HA 0.130 4.449 4.320 -0.003 0.000 0.212 139 A C 1.828 179.414 177.584 0.002 0.000 1.162 139 A CA 1.100 53.152 52.037 0.025 0.000 0.753 139 A CB -0.169 18.843 19.000 0.019 0.000 0.840 139 A HN 0.578 nan 8.150 nan 0.000 0.468 140 E N -1.839 118.366 120.200 0.009 0.000 2.250 140 E HA 0.024 4.373 4.350 -0.003 0.000 0.192 140 E C 0.943 177.294 176.600 -0.415 0.000 0.986 140 E CA 0.654 56.946 56.400 -0.179 0.000 0.849 140 E CB 0.041 29.642 29.700 -0.165 0.000 0.797 140 E HN 0.600 nan 8.360 nan 0.000 0.482 141 F N 0.301 120.254 119.950 0.004 0.000 2.522 141 F HA 0.207 4.732 4.527 -0.004 0.000 0.275 141 F C 0.722 176.527 175.800 0.008 0.000 0.890 141 F CA -0.598 57.410 58.000 0.013 0.000 1.157 141 F CB -0.537 38.482 39.000 0.032 0.000 1.117 141 F HN -0.250 nan 8.300 nan 0.000 0.787 142 N N 2.244 121.056 118.700 0.187 0.000 1.990 142 N HA -0.076 4.663 4.740 -0.003 0.000 0.291 142 N C -0.312 175.275 175.510 0.128 0.000 1.249 142 N CA 0.631 53.745 53.050 0.106 0.000 0.808 142 N CB 0.165 38.695 38.487 0.072 0.000 1.040 142 N HN 0.068 nan 8.380 nan 0.000 0.484 143 R N 1.659 122.288 120.500 0.215 0.000 2.817 143 R HA 0.492 4.831 4.340 -0.003 0.000 0.268 143 R C -2.668 173.784 176.300 0.254 0.000 1.027 143 R CA -2.053 54.210 56.100 0.270 0.000 0.928 143 R CB -0.071 30.497 30.300 0.447 0.000 1.228 143 R HN 0.306 nan 8.270 nan 0.000 0.469 144 P HA -0.006 nan 4.420 nan 0.000 0.256 144 P C 0.712 177.983 177.300 -0.049 0.000 1.173 144 P CA 1.640 64.791 63.100 0.086 0.000 0.768 144 P CB 0.110 31.865 31.700 0.091 0.000 0.758 145 G N 3.036 111.794 108.800 -0.069 0.000 2.328 145 G HA2 -0.263 3.696 3.960 -0.003 0.000 0.256 145 G HA3 -0.263 3.696 3.960 -0.003 0.000 0.256 145 G C 0.263 175.059 174.900 -0.174 0.000 1.014 145 G CA -0.149 44.850 45.100 -0.169 0.000 0.620 145 G HN 0.664 nan 8.290 nan 0.000 0.530 146 H N 0.374 119.546 119.070 0.170 0.000 2.702 146 H HA 0.483 5.036 4.556 -0.005 0.000 0.252 146 H C -0.174 175.185 175.328 0.053 0.000 1.493 146 H CA -0.175 55.985 56.048 0.186 0.000 1.273 146 H CB 0.643 30.692 29.762 0.480 0.000 1.537 146 H HN 0.138 nan 8.280 nan 0.000 0.547 147 V N 4.187 124.165 119.914 0.107 0.000 2.184 147 V HA -0.020 4.098 4.120 -0.003 0.000 0.262 147 V C 1.561 177.687 176.094 0.053 0.000 1.209 147 V CA -0.057 62.281 62.300 0.063 0.000 1.070 147 V CB 0.808 32.674 31.823 0.072 0.000 1.244 147 V HN 0.463 nan 8.190 nan 0.000 0.477 148 V N 4.526 124.380 119.914 -0.100 0.000 2.515 148 V HA 0.002 4.120 4.120 -0.003 0.000 0.250 148 V C 0.869 177.118 176.094 0.259 0.000 1.058 148 V CA 1.494 63.752 62.300 -0.070 0.000 1.064 148 V CB 0.593 32.095 31.823 -0.535 0.000 0.675 148 V HN 0.516 nan 8.190 nan 0.000 0.461 149 V N 2.075 122.070 119.914 0.135 0.000 2.357 149 V HA 0.595 4.714 4.120 -0.003 0.000 0.284 149 V C -0.844 175.301 176.094 0.084 0.000 1.018 149 V CA -0.095 62.306 62.300 0.167 0.000 0.841 149 V CB 1.128 33.028 31.823 0.130 0.000 0.991 149 V HN 0.608 nan 8.190 nan 0.000 0.437 150 D N 3.594 124.054 120.400 0.100 0.000 2.492 150 D HA 0.262 4.900 4.640 -0.003 0.000 0.229 150 D C -0.863 175.366 176.300 -0.118 0.000 1.345 150 D CA -0.307 53.649 54.000 -0.074 0.000 0.912 150 D CB 0.460 41.229 40.800 -0.051 0.000 1.526 150 D HN 0.783 nan 8.370 nan 0.000 0.505 151 H N 0.825 119.704 119.070 -0.318 0.000 2.930 151 H HA 0.377 4.931 4.556 -0.003 0.000 0.371 151 H C -1.124 174.006 175.328 -0.331 0.000 1.169 151 H CA -0.726 55.109 56.048 -0.356 0.000 1.157 151 H CB 0.255 29.807 29.762 -0.351 0.000 1.789 151 H HN 0.147 nan 8.280 nan 0.000 0.547 152 Y N 0.981 121.236 120.300 -0.074 0.000 2.326 152 Y HA 0.350 4.899 4.550 -0.002 0.000 0.324 152 Y C 0.948 176.718 175.900 -0.217 0.000 1.291 152 Y CA -0.103 57.869 58.100 -0.214 0.000 1.348 152 Y CB 1.601 39.913 38.460 -0.246 0.000 1.294 152 Y HN 0.719 nan 8.280 nan 0.000 0.525 153 T N -0.925 113.515 114.554 -0.190 0.000 2.864 153 T HA 0.509 4.857 4.350 -0.003 0.000 0.299 153 T C -1.339 173.192 174.700 -0.281 0.000 1.011 153 T CA -0.821 61.200 62.100 -0.132 0.000 0.975 153 T CB -0.001 68.822 68.868 -0.075 0.000 0.962 153 T HN 0.347 nan 8.240 nan 0.000 0.448 154 Y N 1.609 121.991 120.300 0.137 0.000 2.420 154 Y HA 0.716 5.264 4.550 -0.003 0.000 0.334 154 Y C 0.001 176.011 175.900 0.183 0.000 1.094 154 Y CA -1.055 57.181 58.100 0.227 0.000 1.126 154 Y CB 2.051 40.664 38.460 0.256 0.000 1.217 154 Y HN 0.563 nan 8.280 nan 0.000 0.462 155 V N 3.573 123.731 119.914 0.406 0.000 2.841 155 V HA 0.421 4.540 4.120 -0.003 0.000 0.310 155 V C -1.472 174.828 176.094 0.343 0.000 1.090 155 V CA -0.862 61.562 62.300 0.208 0.000 0.930 155 V CB 2.340 34.248 31.823 0.142 0.000 1.014 155 V HN 0.487 nan 8.190 nan 0.000 0.425 156 L N 3.706 125.028 121.223 0.166 0.000 2.345 156 L HA 0.933 5.271 4.340 -0.003 0.000 0.274 156 L C -0.023 176.948 176.870 0.168 0.000 0.999 156 L CA -0.161 54.829 54.840 0.252 0.000 0.849 156 L CB 0.761 42.986 42.059 0.277 0.000 1.220 156 L HN 0.891 nan 8.230 nan 0.000 0.422 157 A N 3.050 126.000 122.820 0.215 0.000 2.346 157 A HA 0.930 5.248 4.320 -0.003 0.000 0.313 157 A C -0.064 177.694 177.584 0.290 0.000 1.140 157 A CA 0.071 52.212 52.037 0.174 0.000 0.826 157 A CB 1.346 20.399 19.000 0.089 0.000 1.332 157 A HN 0.801 nan 8.150 nan 0.000 0.457 158 S N -0.618 115.239 115.700 0.261 0.000 2.618 158 S HA 0.414 4.883 4.470 -0.003 0.000 0.284 158 S C 0.077 174.887 174.600 0.350 0.000 1.102 158 S CA -0.019 58.400 58.200 0.365 0.000 0.984 158 S CB 0.279 63.678 63.200 0.332 0.000 1.280 158 S HN 0.539 nan 8.310 nan 0.000 0.525 159 D N 0.812 121.412 120.400 0.333 0.000 2.162 159 D HA 0.123 4.761 4.640 -0.003 0.000 0.205 159 D C 2.119 178.311 176.300 -0.180 0.000 0.964 159 D CA 1.358 55.476 54.000 0.197 0.000 0.847 159 D CB -1.091 39.875 40.800 0.277 0.000 0.988 159 D HN 0.671 nan 8.370 nan 0.000 0.480 160 G N 1.354 110.109 108.800 -0.076 0.000 2.440 160 G HA2 -0.260 3.698 3.960 -0.003 0.000 0.218 160 G HA3 -0.260 3.698 3.960 -0.003 0.000 0.218 160 G C 1.325 176.132 174.900 -0.156 0.000 1.154 160 G CA 0.894 45.915 45.100 -0.131 0.000 0.767 160 G HN 0.175 nan 8.290 nan 0.000 0.552 161 D N 0.445 120.787 120.400 -0.097 0.000 2.092 161 D HA -0.050 4.588 4.640 -0.003 0.000 0.193 161 D C 1.728 177.930 176.300 -0.163 0.000 0.994 161 D CA 0.464 54.399 54.000 -0.109 0.000 0.828 161 D CB -0.132 40.632 40.800 -0.061 0.000 0.963 161 D HN 0.239 nan 8.370 nan 0.000 0.450 165 G N 0.462 109.222 108.800 -0.067 0.000 2.464 165 G HA2 -0.123 3.835 3.960 -0.003 0.000 0.217 165 G HA3 -0.123 3.835 3.960 -0.003 0.000 0.217 165 G C 1.213 176.051 174.900 -0.103 0.000 1.138 165 G CA 0.875 45.942 45.100 -0.055 0.000 0.793 165 G HN 0.262 nan 8.290 nan 0.000 0.539 166 V N 1.852 121.655 119.914 -0.186 0.000 2.515 166 V HA -0.165 3.953 4.120 -0.003 0.000 0.250 166 V C 3.132 179.082 176.094 -0.241 0.000 1.058 166 V CA 2.774 64.880 62.300 -0.323 0.000 1.064 166 V CB -0.315 31.015 31.823 -0.821 0.000 0.675 166 V HN 0.530 nan 8.190 nan 0.000 0.461 167 S N 0.271 115.852 115.700 -0.199 0.000 2.368 167 S HA -0.071 4.398 4.470 -0.003 0.000 0.225 167 S C 2.144 176.591 174.600 -0.255 0.000 1.030 167 S CA 1.376 59.476 58.200 -0.167 0.000 0.999 167 S CB -1.320 61.810 63.200 -0.117 0.000 0.844 167 S HN 0.670 nan 8.310 nan 0.000 0.459 168 G N 1.605 110.260 108.800 -0.241 0.000 2.446 168 G HA2 -0.191 3.768 3.960 -0.003 0.000 0.217 168 G HA3 -0.191 3.768 3.960 -0.003 0.000 0.217 168 G C 1.376 175.997 174.900 -0.465 0.000 1.168 168 G CA 0.920 45.810 45.100 -0.349 0.000 0.771 168 G HN 0.641 nan 8.290 nan 0.000 0.551 169 E N 0.481 120.530 120.200 -0.250 0.000 2.058 169 E HA -0.117 4.232 4.350 -0.003 0.000 0.194 169 E C 2.972 179.436 176.600 -0.227 0.000 0.997 169 E CA 0.917 57.198 56.400 -0.199 0.000 0.801 169 E CB -0.233 29.397 29.700 -0.116 0.000 0.746 169 E HN 0.409 nan 8.360 nan 0.000 0.450 170 A N 1.525 124.231 122.820 -0.190 0.000 1.865 170 A HA -0.169 4.150 4.320 -0.003 0.000 0.217 170 A C 2.441 179.971 177.584 -0.090 0.000 1.191 170 A CA 1.908 53.894 52.037 -0.086 0.000 0.623 170 A CB -0.886 18.097 19.000 -0.028 0.000 0.826 170 A HN 0.313 nan 8.150 nan 0.000 0.444 171 A N -0.797 121.859 122.820 -0.274 0.000 1.917 171 A HA -0.190 4.128 4.320 -0.003 0.000 0.219 171 A C 2.493 179.928 177.584 -0.248 0.000 1.182 171 A CA 2.451 54.318 52.037 -0.282 0.000 0.633 171 A CB -1.088 17.096 19.000 -1.360 0.000 0.819 171 A HN 0.593 nan 8.150 nan 0.000 0.448 172 S N -0.787 114.546 115.700 -0.611 0.000 2.370 172 S HA -0.093 4.375 4.470 -0.003 0.000 0.226 172 S C 1.910 176.409 174.600 -0.168 0.000 1.033 172 S CA 1.503 59.530 58.200 -0.288 0.000 1.011 172 S CB -0.406 62.655 63.200 -0.231 0.000 0.852 172 S HN 0.507 nan 8.310 nan 0.000 0.457 173 L N 0.674 121.743 121.223 -0.256 0.000 2.109 173 L HA 0.010 4.348 4.340 -0.003 0.000 0.207 173 L C 2.860 179.559 176.870 -0.285 0.000 1.086 173 L CA 0.948 55.466 54.840 -0.537 0.000 0.760 173 L CB -0.718 40.907 42.059 -0.723 0.000 0.910 173 L HN 0.407 nan 8.230 nan 0.000 0.437 174 A N 0.503 123.360 122.820 0.061 0.000 1.841 174 A HA -0.176 4.142 4.320 -0.003 0.000 0.216 174 A C 2.371 180.010 177.584 0.092 0.000 1.199 174 A CA 1.942 54.099 52.037 0.200 0.000 0.621 174 A CB -1.464 17.676 19.000 0.233 0.000 0.835 174 A HN 0.422 nan 8.150 nan 0.000 0.445 175 G N -1.059 107.820 108.800 0.131 0.000 2.553 175 G HA2 -0.398 3.560 3.960 -0.003 0.000 0.218 175 G HA3 -0.398 3.560 3.960 -0.003 0.000 0.218 175 G C 1.488 176.416 174.900 0.046 0.000 1.195 175 G CA 1.837 46.991 45.100 0.090 0.000 0.779 175 G HN 0.809 nan 8.290 nan 0.000 0.577 176 H N -0.618 118.401 119.070 -0.085 0.000 2.289 176 H HA -0.149 4.406 4.556 -0.002 0.000 0.294 176 H C 2.273 177.559 175.328 -0.070 0.000 1.095 176 H CA 2.390 58.343 56.048 -0.159 0.000 1.256 176 H CB -0.283 29.259 29.762 -0.366 0.000 1.359 176 H HN 0.447 nan 8.280 nan 0.000 0.487 177 W N 0.326 121.563 121.300 -0.105 0.000 2.436 177 W HA 0.243 4.901 4.660 -0.002 0.000 0.284 177 W C 0.921 177.339 176.519 -0.169 0.000 1.225 177 W CA 1.581 58.825 57.345 -0.167 0.000 1.271 177 W CB -0.845 28.644 29.460 0.048 0.000 1.114 177 W HN 0.533 nan 8.180 nan 0.000 0.559 178 G N 1.465 110.314 108.800 0.083 0.000 2.799 178 G HA2 -0.157 3.801 3.960 -0.003 0.000 0.271 178 G HA3 -0.157 3.801 3.960 -0.003 0.000 0.271 178 G C -0.873 174.003 174.900 -0.041 0.000 1.067 178 G CA -0.698 44.384 45.100 -0.030 0.000 1.251 178 G HN -0.015 nan 8.290 nan 0.000 0.560 179 L N 2.641 123.807 121.223 -0.096 0.000 2.371 179 L HA 0.352 4.690 4.340 -0.003 0.000 0.262 179 L C 1.769 178.518 176.870 -0.202 0.000 1.054 179 L CA 0.391 55.157 54.840 -0.123 0.000 0.924 179 L CB 0.116 42.117 42.059 -0.097 0.000 1.295 179 L HN 0.725 nan 8.230 nan 0.000 0.441 180 S N 0.882 116.492 115.700 -0.151 0.000 2.481 180 S HA -0.089 4.380 4.470 -0.003 0.000 0.231 180 S C 1.320 175.862 174.600 -0.096 0.000 0.996 180 S CA 0.506 58.623 58.200 -0.138 0.000 0.942 180 S CB -0.055 63.097 63.200 -0.081 0.000 0.768 180 S HN 0.553 nan 8.310 nan 0.000 0.520 181 K N 0.421 120.774 120.400 -0.078 0.000 2.487 181 K HA 0.259 4.578 4.320 -0.003 0.000 0.192 181 K C 0.022 176.563 176.600 -0.097 0.000 1.027 181 K CA -0.146 56.154 56.287 0.022 0.000 1.054 181 K CB -0.119 32.340 32.500 -0.068 0.000 0.824 181 K HN 0.317 nan 8.250 nan 0.000 0.510 182 L N 1.755 122.868 121.223 -0.184 0.000 2.290 182 L HA 0.322 4.661 4.340 -0.003 0.000 0.284 182 L C -0.818 175.914 176.870 -0.229 0.000 1.078 182 L CA -0.020 54.695 54.840 -0.208 0.000 0.815 182 L CB 0.433 42.360 42.059 -0.220 0.000 1.162 182 L HN -0.007 nan 8.230 nan 0.000 0.435 183 I N 6.113 126.565 120.570 -0.197 0.000 2.468 183 I HA 0.378 4.547 4.170 -0.003 0.000 0.285 183 I C -0.942 175.170 176.117 -0.008 0.000 1.039 183 I CA -0.740 60.464 61.300 -0.161 0.000 1.074 183 I CB 1.925 39.811 38.000 -0.189 0.000 1.228 183 I HN 0.256 nan 8.210 nan 0.000 0.436 184 V N 6.264 126.153 119.914 -0.041 0.000 2.513 184 V HA 0.482 4.601 4.120 -0.003 0.000 0.299 184 V C -0.668 175.350 176.094 -0.128 0.000 1.035 184 V CA -0.566 61.786 62.300 0.086 0.000 0.889 184 V CB 1.826 33.758 31.823 0.182 0.000 0.988 184 V HN 0.346 nan 8.190 nan 0.000 0.440 185 F N 2.962 123.015 119.950 0.172 0.000 2.467 185 F HA 0.510 5.035 4.527 -0.003 0.000 0.336 185 F C -0.526 175.408 175.800 0.223 0.000 1.123 185 F CA -0.664 57.436 58.000 0.168 0.000 0.964 185 F CB 1.503 40.588 39.000 0.142 0.000 1.136 185 F HN 0.619 nan 8.300 nan 0.000 0.447 186 W N 5.293 126.667 121.300 0.125 0.000 2.361 186 W HA 0.374 5.032 4.660 -0.003 0.000 0.314 186 W C -0.688 175.878 176.519 0.078 0.000 1.041 186 W CA -1.783 55.604 57.345 0.071 0.000 1.241 186 W CB 0.975 30.428 29.460 -0.010 0.000 1.279 186 W HN 0.490 nan 8.180 nan 0.000 0.436 187 D N 4.383 124.814 120.400 0.053 0.000 2.398 187 D HA -0.045 4.593 4.640 -0.003 0.000 0.250 187 D C -0.353 175.668 176.300 -0.464 0.000 1.287 187 D CA 0.489 54.401 54.000 -0.146 0.000 0.992 187 D CB 0.131 40.948 40.800 0.028 0.000 1.071 187 D HN 0.223 nan 8.370 nan 0.000 0.514 188 D N 2.879 122.802 120.400 -0.795 0.000 2.455 188 D HA -0.003 4.635 4.640 -0.003 0.000 0.234 188 D C 0.398 176.458 176.300 -0.400 0.000 1.224 188 D CA -0.098 53.372 54.000 -0.884 0.000 0.999 188 D CB -0.150 40.038 40.800 -1.020 0.000 1.072 188 D HN 0.546 nan 8.370 nan 0.000 0.514 189 N N 1.468 120.042 118.700 -0.210 0.000 2.177 189 N HA -0.042 4.696 4.740 -0.003 0.000 0.218 189 N C 0.610 176.106 175.510 -0.023 0.000 1.182 189 N CA -0.394 52.588 53.050 -0.113 0.000 0.882 189 N CB 0.011 38.462 38.487 -0.060 0.000 1.052 189 N HN 0.311 nan 8.380 nan 0.000 0.519 190 R N -0.510 119.998 120.500 0.012 0.000 3.722 190 R HA -0.168 4.170 4.340 -0.003 0.000 0.284 190 R C -1.044 175.301 176.300 0.075 0.000 1.165 190 R CA 1.001 57.145 56.100 0.073 0.000 0.779 190 R CB -2.441 27.885 30.300 0.044 0.000 1.179 190 R HN 0.227 nan 8.270 nan 0.000 0.491 191 I N 0.718 121.328 120.570 0.066 0.000 2.498 191 I HA 0.448 4.616 4.170 -0.003 0.000 0.290 191 I C 0.116 176.237 176.117 0.007 0.000 1.032 191 I CA -0.822 60.501 61.300 0.038 0.000 1.073 191 I CB 2.096 40.114 38.000 0.029 0.000 1.251 191 I HN 0.265 nan 8.210 nan 0.000 0.426 192 S N 4.972 120.659 115.700 -0.021 0.000 2.632 192 S HA 0.585 5.053 4.470 -0.003 0.000 0.289 192 S C 1.427 175.952 174.600 -0.125 0.000 1.115 192 S CA -0.640 57.512 58.200 -0.080 0.000 0.889 192 S CB 2.292 65.479 63.200 -0.021 0.000 1.116 192 S HN 0.477 nan 8.310 nan 0.000 0.486 193 I N 1.213 121.671 120.570 -0.187 0.000 2.194 193 I HA -0.259 3.910 4.170 -0.003 0.000 0.246 193 I C 1.371 177.463 176.117 -0.040 0.000 1.093 193 I CA 1.545 62.768 61.300 -0.128 0.000 1.355 193 I CB -0.318 37.640 38.000 -0.069 0.000 1.046 193 I HN 0.594 nan 8.210 nan 0.000 0.413 194 D N 0.315 120.700 120.400 -0.026 0.000 2.219 194 D HA 0.071 4.710 4.640 -0.003 0.000 0.205 194 D C 1.059 177.361 176.300 0.003 0.000 0.970 194 D CA 1.342 55.340 54.000 -0.003 0.000 0.851 194 D CB 0.093 40.895 40.800 0.004 0.000 0.943 194 D HN 0.562 nan 8.370 nan 0.000 0.488 195 G N -1.185 107.614 108.800 -0.000 0.000 2.233 195 G HA2 -0.061 3.897 3.960 -0.003 0.000 0.162 195 G HA3 -0.061 3.897 3.960 -0.003 0.000 0.162 195 G C -2.637 172.276 174.900 0.021 0.000 1.327 195 G CA -1.029 44.077 45.100 0.011 0.000 1.187 195 G HN -0.128 nan 8.290 nan 0.000 0.479 196 P HA 0.175 nan 4.420 nan 0.000 0.264 196 P C 1.317 178.655 177.300 0.063 0.000 1.193 196 P CA 1.087 64.214 63.100 0.044 0.000 0.763 196 P CB 0.887 32.610 31.700 0.039 0.000 0.810 197 T N -0.243 114.365 114.554 0.090 0.000 2.803 197 T HA -0.244 4.104 4.350 -0.003 0.000 0.269 197 T C 1.076 175.871 174.700 0.159 0.000 1.052 197 T CA 1.651 63.837 62.100 0.144 0.000 1.136 197 T CB -1.087 67.920 68.868 0.231 0.000 0.864 197 T HN 0.426 nan 8.240 nan 0.000 0.467 198 D N 1.387 121.855 120.400 0.113 0.000 2.411 198 D HA -0.066 4.572 4.640 -0.003 0.000 0.226 198 D C 1.714 178.059 176.300 0.074 0.000 0.988 198 D CA 0.367 54.418 54.000 0.085 0.000 0.938 198 D CB -0.817 40.013 40.800 0.050 0.000 0.883 198 D HN 0.437 nan 8.370 nan 0.000 0.525 199 L N -0.788 120.480 121.223 0.075 0.000 2.376 199 L HA 0.128 4.466 4.340 -0.003 0.000 0.219 199 L C 1.841 178.750 176.870 0.066 0.000 1.133 199 L CA 1.162 56.036 54.840 0.057 0.000 0.816 199 L CB -0.066 42.020 42.059 0.045 0.000 0.933 199 L HN 0.330 nan 8.230 nan 0.000 0.449 200 A N -2.410 120.472 122.820 0.103 0.000 2.709 200 A HA 0.179 4.498 4.320 -0.003 0.000 0.212 200 A C -0.220 177.498 177.584 0.222 0.000 1.280 200 A CA -0.300 51.806 52.037 0.116 0.000 1.034 200 A CB 0.383 19.428 19.000 0.076 0.000 1.255 200 A HN 0.109 nan 8.150 nan 0.000 0.547 201 F N 2.178 122.141 119.950 0.022 0.000 2.676 201 F HA 0.473 4.998 4.527 -0.003 0.000 0.371 201 F C 0.677 176.501 175.800 0.040 0.000 1.141 201 F CA 0.007 58.023 58.000 0.027 0.000 1.133 201 F CB 1.578 40.603 39.000 0.041 0.000 1.376 201 F HN 0.030 nan 8.300 nan 0.000 0.491 202 T N 0.127 114.610 114.554 -0.118 0.000 3.231 202 T HA 0.200 4.549 4.350 -0.003 0.000 0.292 202 T C 0.225 174.779 174.700 -0.242 0.000 1.001 202 T CA -0.355 61.645 62.100 -0.167 0.000 0.920 202 T CB -0.348 68.487 68.868 -0.055 0.000 1.140 202 T HN 0.601 nan 8.240 nan 0.000 0.525 203 E N 0.785 120.739 120.200 -0.410 0.000 2.369 203 E HA 0.193 4.542 4.350 -0.003 0.000 0.255 203 E C -0.746 175.671 176.600 -0.304 0.000 1.172 203 E CA -0.743 55.477 56.400 -0.301 0.000 0.932 203 E CB 0.496 30.050 29.700 -0.244 0.000 1.040 203 E HN 0.006 nan 8.360 nan 0.000 0.454 204 D N 2.182 122.476 120.400 -0.177 0.000 2.518 204 D HA 0.018 4.656 4.640 -0.003 0.000 0.230 204 D C 1.143 177.385 176.300 -0.096 0.000 1.138 204 D CA -0.277 53.656 54.000 -0.112 0.000 0.964 204 D CB 1.031 41.791 40.800 -0.068 0.000 1.011 204 D HN 0.464 nan 8.370 nan 0.000 0.517 205 V N 2.384 122.222 119.914 -0.128 0.000 2.324 205 V HA -0.269 3.849 4.120 -0.003 0.000 0.250 205 V C 1.982 178.100 176.094 0.041 0.000 1.060 205 V CA 1.149 63.405 62.300 -0.074 0.000 1.042 205 V CB -0.632 31.028 31.823 -0.272 0.000 0.650 205 V HN 0.334 nan 8.190 nan 0.000 0.450 206 L N 1.199 122.452 121.223 0.051 0.000 2.042 206 L HA -0.009 4.329 4.340 -0.003 0.000 0.210 206 L C 2.960 179.874 176.870 0.072 0.000 1.076 206 L CA 2.415 57.309 54.840 0.090 0.000 0.749 206 L CB -1.535 40.583 42.059 0.099 0.000 0.893 206 L HN 0.452 nan 8.230 nan 0.000 0.432 207 A N -0.599 122.233 122.820 0.019 0.000 1.908 207 A HA -0.276 4.042 4.320 -0.003 0.000 0.218 207 A C 2.514 180.060 177.584 -0.063 0.000 1.181 207 A CA 1.998 54.025 52.037 -0.017 0.000 0.627 207 A CB -0.577 18.399 19.000 -0.040 0.000 0.818 207 A HN 0.400 nan 8.150 nan 0.000 0.445 208 R N -2.020 118.422 120.500 -0.097 0.000 2.070 208 R HA -0.176 4.162 4.340 -0.003 0.000 0.233 208 R C 1.961 178.034 176.300 -0.378 0.000 1.137 208 R CA 1.945 57.882 56.100 -0.272 0.000 0.945 208 R CB -0.558 29.586 30.300 -0.259 0.000 0.845 208 R HN 0.513 nan 8.270 nan 0.000 0.430 209 Y N 0.652 120.825 120.300 -0.211 0.000 2.224 209 Y HA -0.123 4.425 4.550 -0.003 0.000 0.289 209 Y C 2.448 178.385 175.900 0.061 0.000 1.146 209 Y CA 1.712 59.754 58.100 -0.096 0.000 1.182 209 Y CB -0.052 38.321 38.460 -0.144 0.000 0.983 209 Y HN 0.073 nan 8.280 nan 0.000 0.524 210 R N -0.563 120.036 120.500 0.166 0.000 2.096 210 R HA -0.151 4.188 4.340 -0.003 0.000 0.235 210 R C 2.479 178.826 176.300 0.080 0.000 1.127 210 R CA 1.020 57.214 56.100 0.156 0.000 0.968 210 R CB -0.630 29.727 30.300 0.095 0.000 0.861 210 R HN 0.317 nan 8.270 nan 0.000 0.440 211 A N 0.640 123.427 122.820 -0.055 0.000 1.940 211 A HA -0.189 4.129 4.320 -0.003 0.000 0.219 211 A C 1.636 179.179 177.584 -0.068 0.000 1.176 211 A CA 1.232 53.195 52.037 -0.123 0.000 0.631 211 A CB -0.656 18.182 19.000 -0.270 0.000 0.814 211 A HN 0.291 nan 8.150 nan 0.000 0.446 212 Y N -0.756 119.512 120.300 -0.055 0.000 2.483 212 Y HA 0.186 4.734 4.550 -0.003 0.000 0.291 212 Y C 1.968 177.976 175.900 0.179 0.000 1.143 212 Y CA 0.569 58.657 58.100 -0.019 0.000 1.289 212 Y CB -0.434 37.889 38.460 -0.227 0.000 0.983 212 Y HN 0.516 nan 8.280 nan 0.000 0.556 213 G N -2.809 106.201 108.800 0.349 0.000 2.145 213 G HA2 -0.208 3.751 3.960 -0.003 0.000 0.176 213 G HA3 -0.208 3.751 3.960 -0.003 0.000 0.176 213 G C -0.328 174.762 174.900 0.316 0.000 1.013 213 G CA -0.487 44.767 45.100 0.258 0.000 0.689 213 G HN 0.155 nan 8.290 nan 0.000 0.506 214 W N -0.185 121.188 121.300 0.121 0.000 2.481 214 W HA 0.802 5.461 4.660 -0.002 0.000 0.369 214 W C 0.373 176.952 176.519 0.100 0.000 1.235 214 W CA -0.745 56.685 57.345 0.141 0.000 1.344 214 W CB 0.833 30.464 29.460 0.285 0.000 1.360 214 W HN 0.091 nan 8.180 nan 0.000 0.658 215 Q N 0.577 120.560 119.800 0.304 0.000 2.312 215 Q HA 0.520 4.858 4.340 -0.003 0.000 0.263 215 Q C -0.440 175.676 176.000 0.194 0.000 0.995 215 Q CA -0.519 55.386 55.803 0.171 0.000 0.853 215 Q CB 1.729 30.505 28.738 0.064 0.000 1.300 215 Q HN 0.357 nan 8.270 nan 0.000 0.448 216 T N 0.239 114.877 114.554 0.139 0.000 2.824 216 T HA 0.824 5.172 4.350 -0.003 0.000 0.282 216 T C -0.410 174.328 174.700 0.063 0.000 0.993 216 T CA -0.771 61.395 62.100 0.111 0.000 0.967 216 T CB 0.680 69.620 68.868 0.121 0.000 0.960 216 T HN 0.371 nan 8.240 nan 0.000 0.441 217 L N 1.980 123.227 121.223 0.040 0.000 2.301 217 L HA 0.748 5.086 4.340 -0.003 0.000 0.264 217 L C -0.089 176.795 176.870 0.022 0.000 1.016 217 L CA -1.351 53.502 54.840 0.021 0.000 0.821 217 L CB 2.316 44.374 42.059 -0.003 0.000 1.346 217 L HN 0.602 nan 8.230 nan 0.000 0.429 218 R N 0.874 121.382 120.500 0.013 0.000 2.502 218 R HA 0.552 4.890 4.340 -0.003 0.000 0.298 218 R C -1.578 174.717 176.300 -0.008 0.000 1.018 218 R CA -0.575 55.526 56.100 0.001 0.000 0.899 218 R CB 2.279 32.581 30.300 0.004 0.000 1.181 218 R HN 0.216 nan 8.270 nan 0.000 0.444 219 V N 2.979 122.882 119.914 -0.019 0.000 2.370 219 V HA 0.137 4.256 4.120 -0.003 0.000 0.283 219 V C 0.774 176.842 176.094 -0.044 0.000 1.023 219 V CA -0.447 61.842 62.300 -0.017 0.000 0.857 219 V CB 1.535 33.359 31.823 0.000 0.000 0.985 219 V HN 0.751 nan 8.190 nan 0.000 0.443 220 E N 2.045 122.226 120.200 -0.032 0.000 2.274 220 E HA -0.051 4.297 4.350 -0.003 0.000 0.194 220 E C 0.358 176.932 176.600 -0.043 0.000 0.996 220 E CA 0.886 57.264 56.400 -0.037 0.000 0.840 220 E CB 0.144 29.837 29.700 -0.012 0.000 0.772 220 E HN 0.743 nan 8.360 nan 0.000 0.491 221 D N -1.506 118.872 120.400 -0.037 0.000 2.855 221 D HA 0.030 4.669 4.640 -0.003 0.000 0.241 221 D C 0.523 176.788 176.300 -0.059 0.000 1.277 221 D CA -0.311 53.664 54.000 -0.041 0.000 0.918 221 D CB 1.755 42.556 40.800 0.001 0.000 1.462 221 D HN -0.108 nan 8.370 nan 0.000 0.559 222 V N 4.663 124.517 119.914 -0.099 0.000 2.332 222 V HA -0.254 3.864 4.120 -0.003 0.000 0.248 222 V C 1.331 177.375 176.094 -0.083 0.000 1.055 222 V CA 2.187 64.431 62.300 -0.093 0.000 1.038 222 V CB -0.408 31.337 31.823 -0.130 0.000 0.651 222 V HN 0.518 nan 8.190 nan 0.000 0.450 223 N N 0.481 119.112 118.700 -0.115 0.000 2.223 223 N HA -0.121 4.617 4.740 -0.003 0.000 0.185 223 N C 0.992 176.482 175.510 -0.034 0.000 1.016 223 N CA 1.197 54.186 53.050 -0.101 0.000 0.863 223 N CB -0.439 37.956 38.487 -0.154 0.000 0.983 223 N HN 0.524 nan 8.380 nan 0.000 0.429 224 D N 0.887 121.274 120.400 -0.022 0.000 2.422 224 D HA -0.045 4.594 4.640 -0.003 0.000 0.263 224 D C 0.842 177.147 176.300 0.007 0.000 1.334 224 D CA -0.081 53.920 54.000 0.001 0.000 1.105 224 D CB 0.119 40.921 40.800 0.004 0.000 1.107 224 D HN -0.000 nan 8.370 nan 0.000 0.522 225 L N 3.489 124.724 121.223 0.019 0.000 1.990 225 L HA -0.209 4.129 4.340 -0.003 0.000 0.213 225 L C 2.443 179.320 176.870 0.012 0.000 1.072 225 L CA 1.461 56.312 54.840 0.018 0.000 0.755 225 L CB -0.483 41.600 42.059 0.041 0.000 0.889 225 L HN 0.347 nan 8.230 nan 0.000 0.432 226 E N -0.389 119.823 120.200 0.019 0.000 2.086 226 E HA -0.294 4.055 4.350 -0.003 0.000 0.200 226 E C 2.280 178.890 176.600 0.017 0.000 1.012 226 E CA 1.576 57.986 56.400 0.018 0.000 0.812 226 E CB -0.506 29.206 29.700 0.021 0.000 0.743 226 E HN 0.498 nan 8.360 nan 0.000 0.453 227 A N 0.804 123.634 122.820 0.017 0.000 1.892 227 A HA -0.220 4.098 4.320 -0.003 0.000 0.218 227 A C 2.298 179.897 177.584 0.025 0.000 1.188 227 A CA 1.702 53.749 52.037 0.017 0.000 0.631 227 A CB -0.695 18.312 19.000 0.012 0.000 0.822 227 A HN 0.193 nan 8.150 nan 0.000 0.447 228 L N -0.396 120.843 121.223 0.027 0.000 2.017 228 L HA -0.156 4.182 4.340 -0.003 0.000 0.208 228 L C 2.688 179.587 176.870 0.048 0.000 1.073 228 L CA 1.951 56.821 54.840 0.050 0.000 0.745 228 L CB -0.791 41.284 42.059 0.026 0.000 0.894 228 L HN 0.343 nan 8.230 nan 0.000 0.432 229 R N -0.192 120.319 120.500 0.018 0.000 2.082 229 R HA -0.198 4.140 4.340 -0.003 0.000 0.234 229 R C 2.258 178.571 176.300 0.021 0.000 1.136 229 R CA 1.649 57.755 56.100 0.010 0.000 0.935 229 R CB -0.495 29.807 30.300 0.002 0.000 0.842 229 R HN 0.365 nan 8.270 nan 0.000 0.430 230 K N 0.472 120.885 120.400 0.021 0.000 2.032 230 K HA -0.143 4.175 4.320 -0.003 0.000 0.209 230 K C 2.271 178.883 176.600 0.020 0.000 1.048 230 K CA 1.452 57.751 56.287 0.020 0.000 0.927 230 K CB -0.286 32.224 32.500 0.018 0.000 0.712 230 K HN 0.179 nan 8.250 nan 0.000 0.441 231 A N 1.834 124.670 122.820 0.027 0.000 1.859 231 A HA -0.222 4.096 4.320 -0.003 0.000 0.217 231 A C 2.187 179.780 177.584 0.015 0.000 1.198 231 A CA 1.768 53.818 52.037 0.023 0.000 0.629 231 A CB -0.847 18.177 19.000 0.040 0.000 0.830 231 A HN 0.225 nan 8.150 nan 0.000 0.446 232 I N -0.533 120.067 120.570 0.051 0.000 2.264 232 I HA -0.279 3.890 4.170 -0.003 0.000 0.248 232 I C 2.313 178.429 176.117 -0.001 0.000 1.111 232 I CA 1.411 62.743 61.300 0.052 0.000 1.382 232 I CB -0.349 37.721 38.000 0.117 0.000 1.060 232 I HN 0.214 nan 8.210 nan 0.000 0.418 233 K N 0.903 121.306 120.400 0.006 0.000 2.103 233 K HA -0.118 4.200 4.320 -0.003 0.000 0.207 233 K C 2.084 178.682 176.600 -0.003 0.000 1.048 233 K CA 1.365 57.653 56.287 0.002 0.000 0.930 233 K CB -0.512 31.996 32.500 0.014 0.000 0.716 233 K HN 0.393 nan 8.250 nan 0.000 0.444 234 L N 0.329 121.549 121.223 -0.004 0.000 2.056 234 L HA -0.109 4.229 4.340 -0.003 0.000 0.207 234 L C 2.628 179.485 176.870 -0.022 0.000 1.078 234 L CA 1.183 56.019 54.840 -0.007 0.000 0.749 234 L CB -0.723 41.334 42.059 -0.003 0.000 0.901 234 L HN 0.069 nan 8.230 nan 0.000 0.433 235 A N 0.282 123.076 122.820 -0.042 0.000 1.933 235 A HA -0.182 4.137 4.320 -0.003 0.000 0.218 235 A C 2.329 179.865 177.584 -0.080 0.000 1.175 235 A CA 1.411 53.405 52.037 -0.072 0.000 0.628 235 A CB -0.318 18.615 19.000 -0.111 0.000 0.814 235 A HN 0.286 nan 8.150 nan 0.000 0.444 236 K N -0.548 119.800 120.400 -0.087 0.000 2.074 236 K HA -0.164 4.155 4.320 -0.003 0.000 0.209 236 K C 1.722 178.339 176.600 0.028 0.000 1.048 236 K CA 1.276 57.524 56.287 -0.065 0.000 0.926 236 K CB -0.650 31.821 32.500 -0.048 0.000 0.713 236 K HN 0.388 nan 8.250 nan 0.000 0.444 237 L N 1.727 122.958 121.223 0.013 0.000 2.056 237 L HA -0.073 4.266 4.340 -0.003 0.000 0.207 237 L C 0.369 177.242 176.870 0.004 0.000 1.078 237 L CA 1.197 56.048 54.840 0.019 0.000 0.749 237 L CB -0.864 41.203 42.059 0.014 0.000 0.901 237 L HN 0.079 nan 8.230 nan 0.000 0.433 238 D N 0.480 120.872 120.400 -0.013 0.000 2.515 238 D HA -0.079 4.559 4.640 -0.003 0.000 0.232 238 D C 1.039 177.318 176.300 -0.034 0.000 1.157 238 D CA 0.429 54.414 54.000 -0.025 0.000 0.871 238 D CB 0.429 41.207 40.800 -0.038 0.000 1.200 238 D HN 0.231 nan 8.370 nan 0.000 0.466 239 E N 0.629 120.806 120.200 -0.039 0.000 2.444 239 E HA 0.031 4.379 4.350 -0.003 0.000 0.191 239 E C -0.041 176.511 176.600 -0.080 0.000 1.041 239 E CA -0.070 56.301 56.400 -0.049 0.000 0.883 239 E CB 0.445 30.122 29.700 -0.039 0.000 1.024 239 E HN 0.157 nan 8.360 nan 0.000 0.470 240 R N 0.410 120.848 120.500 -0.103 0.000 2.836 240 R HA 0.408 4.747 4.340 -0.003 0.000 0.269 240 R C -2.623 173.515 176.300 -0.269 0.000 1.010 240 R CA -2.473 53.524 56.100 -0.172 0.000 0.930 240 R CB 0.535 30.763 30.300 -0.120 0.000 1.218 240 R HN -0.093 nan 8.270 nan 0.000 0.473 241 P HA 0.068 nan 4.420 nan 0.000 0.271 241 P C -0.615 176.440 177.300 -0.409 0.000 1.238 241 P CA 0.098 62.758 63.100 -0.732 0.000 0.794 241 P CB 0.505 31.175 31.700 -1.716 0.000 0.959 242 T N 1.083 115.511 114.554 -0.211 0.000 2.921 242 T HA 0.412 4.760 4.350 -0.003 0.000 0.297 242 T C -0.752 174.059 174.700 0.184 0.000 1.013 242 T CA -0.340 61.790 62.100 0.049 0.000 0.990 242 T CB 1.033 69.861 68.868 -0.065 0.000 1.023 242 T HN 0.223 nan 8.240 nan 0.000 0.447 243 L N 4.155 125.519 121.223 0.235 0.000 2.294 243 L HA 0.621 4.960 4.340 -0.003 0.000 0.283 243 L C -1.071 175.795 176.870 -0.006 0.000 1.015 243 L CA -0.489 54.385 54.840 0.056 0.000 0.831 243 L CB 0.424 42.374 42.059 -0.181 0.000 1.217 243 L HN 0.650 nan 8.230 nan 0.000 0.420 244 I N 5.590 126.107 120.570 -0.089 0.000 2.306 244 I HA 0.376 4.545 4.170 -0.003 0.000 0.288 244 I C 0.446 176.594 176.117 0.052 0.000 1.036 244 I CA -0.552 60.709 61.300 -0.066 0.000 1.221 244 I CB 1.428 39.299 38.000 -0.215 0.000 1.385 244 I HN 0.757 nan 8.210 nan 0.000 0.472 245 A N 7.253 130.125 122.820 0.086 0.000 2.444 245 A HA 0.392 4.711 4.320 -0.003 0.000 0.287 245 A C -0.109 177.414 177.584 -0.101 0.000 1.195 245 A CA -0.134 51.921 52.037 0.029 0.000 0.858 245 A CB -0.093 18.930 19.000 0.039 0.000 1.117 245 A HN 0.493 nan 8.150 nan 0.000 0.521 246 V N 6.047 125.874 119.914 -0.146 0.000 2.311 246 V HA 0.240 4.358 4.120 -0.003 0.000 0.275 246 V C 0.002 175.948 176.094 -0.248 0.000 1.022 246 V CA -0.884 61.345 62.300 -0.119 0.000 0.830 246 V CB 0.831 32.661 31.823 0.011 0.000 1.012 246 V HN 0.878 nan 8.190 nan 0.000 0.452 247 R N 3.087 123.444 120.500 -0.237 0.000 2.442 247 R HA 0.534 4.872 4.340 -0.003 0.000 0.291 247 R C 0.211 176.316 176.300 -0.326 0.000 1.069 247 R CA 0.100 56.023 56.100 -0.295 0.000 1.022 247 R CB 0.852 31.014 30.300 -0.231 0.000 0.976 247 R HN 0.713 nan 8.270 nan 0.000 0.443 248 S N 1.553 117.010 115.700 -0.406 0.000 2.607 248 S HA 0.436 4.904 4.470 -0.003 0.000 0.273 248 S C -1.406 172.880 174.600 -0.523 0.000 1.148 248 S CA -0.887 57.058 58.200 -0.426 0.000 0.833 248 S CB 1.283 64.354 63.200 -0.216 0.000 1.130 248 S HN 0.667 nan 8.310 nan 0.000 0.470 249 H N 2.267 121.348 119.070 0.017 0.000 2.685 249 H HA 0.388 4.942 4.556 -0.003 0.000 0.307 249 H C -0.198 175.179 175.328 0.081 0.000 1.017 249 H CA -0.413 55.681 56.048 0.075 0.000 1.237 249 H CB 0.765 30.636 29.762 0.181 0.000 1.409 249 H HN 0.636 nan 8.280 nan 0.000 0.488 250 I N 2.172 122.814 120.570 0.120 0.000 2.741 250 I HA 0.006 4.174 4.170 -0.003 0.000 0.288 250 I C 0.905 177.076 176.117 0.089 0.000 1.192 250 I CA 1.192 62.542 61.300 0.084 0.000 1.426 250 I CB 0.140 38.181 38.000 0.069 0.000 1.367 250 I HN 0.990 nan 8.210 nan 0.000 0.563 251 G N 5.984 114.819 108.800 0.059 0.000 2.256 251 G HA2 -0.329 3.629 3.960 -0.003 0.000 0.272 251 G HA3 -0.329 3.629 3.960 -0.003 0.000 0.272 251 G C -0.078 174.848 174.900 0.044 0.000 1.076 251 G CA -0.013 45.099 45.100 0.019 0.000 0.882 251 G HN 0.691 nan 8.290 nan 0.000 0.497 252 F N 0.680 120.603 119.950 -0.045 0.000 2.529 252 F HA 0.431 4.956 4.527 -0.002 0.000 0.365 252 F C 1.513 177.267 175.800 -0.077 0.000 1.102 252 F CA 1.324 59.303 58.000 -0.034 0.000 1.271 252 F CB 0.801 39.802 39.000 0.001 0.000 1.120 252 F HN 1.145 nan 8.300 nan 0.000 0.579 253 G N 3.080 111.368 108.800 -0.853 0.000 2.176 253 G HA2 -0.248 3.710 3.960 -0.003 0.000 0.253 253 G HA3 -0.248 3.710 3.960 -0.003 0.000 0.253 253 G C 0.082 174.821 174.900 -0.267 0.000 0.979 253 G CA 0.323 45.088 45.100 -0.559 0.000 0.641 253 G HN 1.272 nan 8.290 nan 0.000 0.530 254 S N -0.495 115.075 115.700 -0.216 0.000 2.681 254 S HA 0.784 5.253 4.470 -0.003 0.000 0.299 254 S C -1.190 173.341 174.600 -0.115 0.000 1.113 254 S CA -0.732 57.389 58.200 -0.131 0.000 1.013 254 S CB 2.771 65.909 63.200 -0.104 0.000 1.076 254 S HN -0.083 nan 8.310 nan 0.000 0.534 255 P HA -0.014 nan 4.420 nan 0.000 0.218 255 P C 0.394 177.663 177.300 -0.051 0.000 1.149 255 P CA 1.055 64.118 63.100 -0.062 0.000 0.817 255 P CB -0.048 31.628 31.700 -0.041 0.000 0.785 256 K N -0.111 120.263 120.400 -0.044 0.000 2.862 256 K HA 0.129 4.447 4.320 -0.003 0.000 0.229 256 K C 0.412 177.000 176.600 -0.020 0.000 1.107 256 K CA -0.329 55.941 56.287 -0.028 0.000 1.222 256 K CB -0.197 32.291 32.500 -0.021 0.000 1.067 256 K HN 0.139 nan 8.250 nan 0.000 0.464 257 Q N 1.693 121.474 119.800 -0.032 0.000 2.394 257 Q HA -0.035 4.303 4.340 -0.003 0.000 0.248 257 Q C -0.537 175.477 176.000 0.024 0.000 0.992 257 Q CA 0.213 56.014 55.803 -0.003 0.000 0.888 257 Q CB 0.521 29.237 28.738 -0.037 0.000 1.257 257 Q HN 0.408 nan 8.270 nan 0.000 0.462 258 D N 0.940 121.380 120.400 0.066 0.000 2.811 258 D HA -0.169 4.469 4.640 -0.003 0.000 0.231 258 D C -1.114 175.211 176.300 0.042 0.000 1.157 258 D CA 1.287 55.330 54.000 0.071 0.000 0.716 258 D CB -1.216 39.631 40.800 0.079 0.000 1.077 258 D HN 0.338 nan 8.370 nan 0.000 0.428 259 S N -1.563 114.157 115.700 0.034 0.000 2.538 259 S HA 0.645 5.113 4.470 -0.003 0.000 0.288 259 S C 1.054 175.674 174.600 0.032 0.000 1.108 259 S CA 0.094 58.309 58.200 0.025 0.000 0.971 259 S CB 2.031 65.238 63.200 0.012 0.000 1.041 259 S HN 0.158 nan 8.310 nan 0.000 0.483 260 A N 4.549 127.386 122.820 0.028 0.000 2.024 260 A HA -0.049 4.270 4.320 -0.003 0.000 0.220 260 A C 1.805 179.418 177.584 0.048 0.000 1.164 260 A CA 1.271 53.329 52.037 0.034 0.000 0.643 260 A CB -0.364 18.646 19.000 0.017 0.000 0.806 260 A HN 0.750 nan 8.150 nan 0.000 0.451 261 K N -0.116 120.301 120.400 0.028 0.000 2.555 261 K HA 0.115 4.433 4.320 -0.003 0.000 0.193 261 K C 1.535 178.140 176.600 0.009 0.000 1.032 261 K CA 0.934 57.231 56.287 0.016 0.000 1.004 261 K CB -0.448 32.056 32.500 0.006 0.000 0.804 261 K HN 0.498 nan 8.250 nan 0.000 0.496 262 A N -0.245 122.589 122.820 0.023 0.000 2.220 262 A HA -0.022 4.296 4.320 -0.003 0.000 0.211 262 A C 1.790 179.379 177.584 0.008 0.000 1.176 262 A CA 0.351 52.391 52.037 0.005 0.000 0.834 262 A CB -0.250 18.756 19.000 0.011 0.000 0.868 262 A HN 0.306 nan 8.150 nan 0.000 0.488 263 H N 0.503 119.537 119.070 -0.060 0.000 2.300 263 H HA 0.166 4.721 4.556 -0.003 0.000 0.302 263 H C 1.405 176.621 175.328 -0.187 0.000 1.049 263 H CA 1.973 57.973 56.048 -0.080 0.000 1.254 263 H CB -0.276 29.455 29.762 -0.052 0.000 1.396 263 H HN 0.251 nan 8.280 nan 0.000 0.518 264 G N 0.201 108.762 108.800 -0.398 0.000 4.190 264 G HA2 0.438 4.396 3.960 -0.003 0.000 0.328 264 G HA3 0.438 4.396 3.960 -0.003 0.000 0.328 264 G C -1.385 173.314 174.900 -0.334 0.000 1.364 264 G CA -0.150 44.515 45.100 -0.725 0.000 1.259 264 G HN 0.667 nan 8.290 nan 0.000 0.525 265 E N 0.260 120.322 120.200 -0.229 0.000 2.419 265 E HA 0.214 4.563 4.350 -0.003 0.000 0.285 265 E C -3.278 173.278 176.600 -0.073 0.000 1.079 265 E CA -1.772 54.563 56.400 -0.109 0.000 0.864 265 E CB 0.688 30.349 29.700 -0.064 0.000 1.216 265 E HN 0.020 nan 8.360 nan 0.000 0.428 266 P HA 0.015 nan 4.420 nan 0.000 0.266 266 P C 0.501 177.786 177.300 -0.026 0.000 1.193 266 P CA -0.006 63.083 63.100 -0.020 0.000 0.770 266 P CB 0.535 32.240 31.700 0.008 0.000 0.836 267 L N 1.241 122.445 121.223 -0.032 0.000 2.217 267 L HA 0.085 4.424 4.340 -0.003 0.000 0.211 267 L C 1.309 178.171 176.870 -0.013 0.000 1.107 267 L CA 1.063 55.884 54.840 -0.033 0.000 0.783 267 L CB -1.067 40.962 42.059 -0.049 0.000 0.919 267 L HN 0.733 nan 8.230 nan 0.000 0.442 268 G N -0.676 108.123 108.800 -0.001 0.000 2.746 268 G HA2 -0.176 3.783 3.960 -0.003 0.000 0.685 268 G HA3 -0.176 3.783 3.960 -0.003 0.000 0.685 268 G C -2.189 172.723 174.900 0.019 0.000 1.350 268 G CA -0.353 44.753 45.100 0.011 0.000 0.837 268 G HN -0.020 nan 8.290 nan 0.000 0.564 269 P HA -0.131 nan 4.420 nan 0.000 0.210 269 P C 1.437 178.754 177.300 0.029 0.000 1.189 269 P CA 2.062 65.182 63.100 0.033 0.000 0.920 269 P CB -0.012 31.707 31.700 0.032 0.000 0.782 270 E N 0.385 120.598 120.200 0.021 0.000 2.108 270 E HA -0.256 4.093 4.350 -0.003 0.000 0.203 270 E C 2.049 178.658 176.600 0.015 0.000 1.022 270 E CA 2.054 58.464 56.400 0.016 0.000 0.823 270 E CB -0.779 28.927 29.700 0.010 0.000 0.744 270 E HN 0.167 nan 8.360 nan 0.000 0.456 271 A N 0.245 123.070 122.820 0.008 0.000 1.855 271 A HA -0.120 4.198 4.320 -0.003 0.000 0.215 271 A C 2.501 180.092 177.584 0.011 0.000 1.191 271 A CA 1.557 53.593 52.037 -0.001 0.000 0.613 271 A CB -0.836 18.155 19.000 -0.015 0.000 0.829 271 A HN 0.227 nan 8.150 nan 0.000 0.442 272 V N 0.631 120.558 119.914 0.023 0.000 2.282 272 V HA -0.294 3.824 4.120 -0.003 0.000 0.249 272 V C 2.594 178.753 176.094 0.108 0.000 1.057 272 V CA 2.322 64.656 62.300 0.057 0.000 1.032 272 V CB -0.855 31.009 31.823 0.069 0.000 0.645 272 V HN 0.539 nan 8.190 nan 0.000 0.447 273 E N 0.348 120.598 120.200 0.083 0.000 2.058 273 E HA -0.217 4.132 4.350 -0.003 0.000 0.194 273 E C 2.373 179.021 176.600 0.080 0.000 0.997 273 E CA 1.620 58.071 56.400 0.085 0.000 0.801 273 E CB -0.539 29.193 29.700 0.054 0.000 0.746 273 E HN 0.594 nan 8.360 nan 0.000 0.450 274 A N 0.814 123.663 122.820 0.049 0.000 2.070 274 A HA -0.134 4.185 4.320 -0.003 0.000 0.220 274 A C 2.329 179.938 177.584 0.041 0.000 1.159 274 A CA 1.832 53.887 52.037 0.030 0.000 0.656 274 A CB -0.563 18.439 19.000 0.003 0.000 0.800 274 A HN 0.220 nan 8.150 nan 0.000 0.453 275 T N -0.285 114.310 114.554 0.069 0.000 2.770 275 T HA -0.071 4.278 4.350 -0.003 0.000 0.258 275 T C 2.041 176.905 174.700 0.274 0.000 1.039 275 T CA 1.200 63.351 62.100 0.084 0.000 1.143 275 T CB -0.216 68.651 68.868 -0.001 0.000 0.866 275 T HN 0.570 nan 8.240 nan 0.000 0.428 276 R N 0.995 121.734 120.500 0.398 0.000 2.096 276 R HA -0.020 4.318 4.340 -0.003 0.000 0.240 276 R C 2.657 179.095 176.300 0.231 0.000 1.139 276 R CA 1.041 57.386 56.100 0.409 0.000 0.952 276 R CB -0.287 30.170 30.300 0.261 0.000 0.854 276 R HN 0.081 nan 8.270 nan 0.000 0.436 277 R N 1.249 121.835 120.500 0.142 0.000 2.081 277 R HA -0.074 4.264 4.340 -0.003 0.000 0.235 277 R C 1.381 177.725 176.300 0.074 0.000 1.131 277 R CA 1.611 57.758 56.100 0.078 0.000 0.960 277 R CB -0.436 29.892 30.300 0.046 0.000 0.856 277 R HN 0.221 nan 8.270 nan 0.000 0.436 278 N N 0.303 119.047 118.700 0.072 0.000 2.270 278 N HA -0.039 4.700 4.740 -0.003 0.000 0.181 278 N C 1.444 176.996 175.510 0.070 0.000 1.016 278 N CA 0.765 53.833 53.050 0.030 0.000 0.870 278 N CB 0.011 38.475 38.487 -0.038 0.000 0.979 278 N HN 0.226 nan 8.380 nan 0.000 0.431 279 L N -0.701 120.625 121.223 0.171 0.000 2.607 279 L HA 0.284 4.622 4.340 -0.003 0.000 0.228 279 L C 0.511 177.545 176.870 0.273 0.000 1.123 279 L CA -0.189 54.807 54.840 0.259 0.000 0.890 279 L CB -0.186 42.122 42.059 0.414 0.000 1.103 279 L HN 0.128 nan 8.230 nan 0.000 0.468 280 G N 0.336 109.254 108.800 0.196 0.000 2.351 280 G HA2 -0.286 3.672 3.960 -0.003 0.000 0.297 280 G HA3 -0.286 3.672 3.960 -0.003 0.000 0.297 280 G C -0.383 174.615 174.900 0.163 0.000 1.054 280 G CA -0.087 45.092 45.100 0.131 0.000 1.123 280 G HN 0.474 nan 8.290 nan 0.000 0.512 281 W N 2.592 123.828 121.300 -0.107 0.000 2.443 281 W HA 0.467 5.126 4.660 -0.003 0.000 0.303 281 W C -1.800 174.525 176.519 -0.322 0.000 0.991 281 W CA -2.110 55.070 57.345 -0.274 0.000 1.522 281 W CB 1.681 30.651 29.460 -0.817 0.000 1.315 281 W HN 0.226 nan 8.180 nan 0.000 0.419 282 P HA -0.106 nan 4.420 nan 0.000 0.229 282 P C 0.049 176.969 177.300 -0.632 0.000 1.160 282 P CA 0.753 63.517 63.100 -0.560 0.000 0.777 282 P CB 0.245 31.586 31.700 -0.599 0.000 0.814 283 Y N 1.632 121.460 120.300 -0.786 0.000 2.712 283 Y HA 0.115 4.664 4.550 -0.002 0.000 0.333 283 Y C -1.566 174.252 175.900 -0.136 0.000 1.225 283 Y CA -2.147 55.623 58.100 -0.551 0.000 1.499 283 Y CB -1.319 36.603 38.460 -0.897 0.000 1.288 283 Y HN 0.040 nan 8.280 nan 0.000 0.575 284 P HA 0.085 nan 4.420 nan 0.000 0.272 284 P C -2.541 174.909 177.300 0.250 0.000 1.240 284 P CA -1.290 61.903 63.100 0.155 0.000 0.791 284 P CB 0.129 31.902 31.700 0.121 0.000 0.978 285 P HA -0.044 nan 4.420 nan 0.000 0.260 285 P C -0.338 177.174 177.300 0.354 0.000 1.172 285 P CA 0.853 64.088 63.100 0.226 0.000 0.760 285 P CB -0.423 31.423 31.700 0.244 0.000 0.773 286 F N -0.099 119.974 119.950 0.206 0.000 2.794 286 F HA -0.203 4.322 4.527 -0.003 0.000 0.335 286 F C 0.273 176.203 175.800 0.216 0.000 0.653 286 F CA 0.429 58.542 58.000 0.188 0.000 1.266 286 F CB -1.888 37.196 39.000 0.139 0.000 1.666 286 F HN 0.066 nan 8.300 nan 0.000 0.314 287 V N 1.874 122.004 119.914 0.359 0.000 2.333 287 V HA 0.537 4.655 4.120 -0.003 0.000 0.274 287 V C 0.152 176.388 176.094 0.238 0.000 1.028 287 V CA -0.691 61.785 62.300 0.293 0.000 0.851 287 V CB 1.560 33.531 31.823 0.245 0.000 1.000 287 V HN -0.062 nan 8.190 nan 0.000 0.456 288 V N 8.088 128.126 119.914 0.206 0.000 2.443 288 V HA 0.405 4.523 4.120 -0.003 0.000 0.293 288 V C -2.113 173.981 176.094 0.000 0.000 1.021 288 V CA -1.944 60.369 62.300 0.020 0.000 0.848 288 V CB 2.104 33.890 31.823 -0.062 0.000 0.998 288 V HN 0.704 nan 8.190 nan 0.000 0.424 289 P HA -0.023 nan 4.420 nan 0.000 0.263 289 P C 0.707 178.064 177.300 0.095 0.000 1.168 289 P CA 0.314 63.343 63.100 -0.118 0.000 0.759 289 P CB 1.191 32.722 31.700 -0.282 0.000 0.782 290 E N 2.854 123.159 120.200 0.175 0.000 2.049 290 E HA -0.224 4.124 4.350 -0.003 0.000 0.198 290 E C 1.836 178.551 176.600 0.192 0.000 1.007 290 E CA 1.581 58.133 56.400 0.253 0.000 0.809 290 E CB -0.312 29.456 29.700 0.113 0.000 0.749 290 E HN 0.612 nan 8.360 nan 0.000 0.450 291 E N 0.808 121.060 120.200 0.087 0.000 2.233 291 E HA -0.178 4.171 4.350 -0.003 0.000 0.199 291 E C 2.228 178.870 176.600 0.070 0.000 1.004 291 E CA 1.197 57.632 56.400 0.058 0.000 0.819 291 E CB -0.830 28.875 29.700 0.010 0.000 0.738 291 E HN 0.150 nan 8.360 nan 0.000 0.478 292 V N 0.620 120.544 119.914 0.017 0.000 2.270 292 V HA -0.260 3.858 4.120 -0.003 0.000 0.245 292 V C 2.224 178.303 176.094 -0.025 0.000 1.043 292 V CA 1.996 64.270 62.300 -0.043 0.000 1.014 292 V CB -0.860 30.833 31.823 -0.216 0.000 0.645 292 V HN 0.128 nan 8.190 nan 0.000 0.447 293 Y N 1.007 121.313 120.300 0.011 0.000 2.128 293 Y HA -0.223 4.325 4.550 -0.003 0.000 0.284 293 Y C 2.722 178.633 175.900 0.019 0.000 1.154 293 Y CA 1.839 59.931 58.100 -0.013 0.000 1.149 293 Y CB -0.578 37.862 38.460 -0.033 0.000 0.976 293 Y HN 0.157 nan 8.280 nan 0.000 0.505 294 R N -0.782 119.843 120.500 0.208 0.000 2.091 294 R HA -0.161 4.177 4.340 -0.003 0.000 0.238 294 R C 1.290 177.686 176.300 0.159 0.000 1.136 294 R CA 1.289 57.473 56.100 0.140 0.000 0.959 294 R CB -0.964 29.402 30.300 0.109 0.000 0.856 294 R HN 0.464 nan 8.270 nan 0.000 0.437 300 E N 1.173 121.294 120.200 -0.132 0.000 2.107 300 E HA -0.155 4.193 4.350 -0.003 0.000 0.191 300 E C 1.333 177.777 176.600 -0.259 0.000 0.982 300 E CA 0.955 57.258 56.400 -0.162 0.000 0.809 300 E CB 0.128 29.748 29.700 -0.133 0.000 0.756 300 E HN -0.069 nan 8.360 nan 0.000 0.459 301 K N 0.795 120.995 120.400 -0.334 0.000 2.209 301 K HA -0.087 4.232 4.320 -0.003 0.000 0.204 301 K C 1.731 177.959 176.600 -0.620 0.000 1.048 301 K CA 1.112 57.008 56.287 -0.652 0.000 0.940 301 K CB -0.581 31.484 32.500 -0.724 0.000 0.729 301 K HN 0.179 nan 8.250 nan 0.000 0.451 302 G N 0.272 108.914 108.800 -0.264 0.000 2.575 302 G HA2 -0.285 3.673 3.960 -0.003 0.000 0.215 302 G HA3 -0.285 3.673 3.960 -0.003 0.000 0.215 302 G C 1.495 176.278 174.900 -0.194 0.000 1.262 302 G CA 0.756 45.793 45.100 -0.105 0.000 0.807 302 G HN 0.341 nan 8.290 nan 0.000 0.567 303 R N 0.776 121.162 120.500 -0.191 0.000 2.170 303 R HA -0.053 4.285 4.340 -0.003 0.000 0.242 303 R C 2.722 178.905 176.300 -0.195 0.000 1.145 303 R CA 1.398 57.387 56.100 -0.185 0.000 0.984 303 R CB -0.359 29.862 30.300 -0.131 0.000 0.869 303 R HN 0.322 nan 8.270 nan 0.000 0.455 304 A N 0.350 123.028 122.820 -0.237 0.000 1.902 304 A HA -0.160 4.158 4.320 -0.003 0.000 0.217 304 A C 1.737 179.205 177.584 -0.193 0.000 1.181 304 A CA 1.022 52.908 52.037 -0.252 0.000 0.623 304 A CB -0.739 18.028 19.000 -0.388 0.000 0.818 304 A HN 0.495 nan 8.150 nan 0.000 0.443 305 W N -0.247 120.911 121.300 -0.237 0.000 2.409 305 W HA -0.046 4.611 4.660 -0.004 0.000 0.299 305 W C 2.492 178.717 176.519 -0.489 0.000 1.203 305 W CA 1.136 58.317 57.345 -0.274 0.000 1.298 305 W CB -0.901 28.385 29.460 -0.290 0.000 1.127 305 W HN 0.575 nan 8.180 nan 0.000 0.528 306 Q N 0.804 120.252 119.800 -0.588 0.000 2.079 306 Q HA -0.216 4.123 4.340 -0.003 0.000 0.200 306 Q C 2.176 178.111 176.000 -0.109 0.000 0.974 306 Q CA 2.327 57.715 55.803 -0.691 0.000 0.840 306 Q CB -0.125 28.171 28.738 -0.736 0.000 0.898 306 Q HN 0.427 nan 8.270 nan 0.000 0.430 307 E N -0.066 120.081 120.200 -0.088 0.000 2.058 307 E HA -0.229 4.119 4.350 -0.003 0.000 0.194 307 E C 1.853 178.486 176.600 0.055 0.000 0.997 307 E CA 1.343 57.736 56.400 -0.012 0.000 0.801 307 E CB -0.470 29.208 29.700 -0.038 0.000 0.746 307 E HN 0.349 nan 8.360 nan 0.000 0.450 308 A N 0.786 123.658 122.820 0.087 0.000 1.908 308 A HA -0.190 4.129 4.320 -0.003 0.000 0.218 308 A C 1.971 179.691 177.584 0.226 0.000 1.181 308 A CA 1.524 53.649 52.037 0.146 0.000 0.627 308 A CB -1.246 17.867 19.000 0.188 0.000 0.818 308 A HN 0.673 nan 8.150 nan 0.000 0.445 309 W N 1.115 122.483 121.300 0.114 0.000 2.379 309 W HA -0.108 4.552 4.660 -0.000 0.000 0.307 309 W C 2.058 178.657 176.519 0.134 0.000 1.200 309 W CA 1.668 59.125 57.345 0.186 0.000 1.297 309 W CB -0.071 29.613 29.460 0.374 0.000 1.140 309 W HN 0.379 nan 8.180 nan 0.000 0.507 310 E N 0.462 120.722 120.200 0.100 0.000 2.033 310 E HA -0.308 4.041 4.350 -0.003 0.000 0.199 310 E C 1.963 178.508 176.600 -0.092 0.000 1.011 310 E CA 1.904 58.262 56.400 -0.070 0.000 0.815 310 E CB -0.978 28.734 29.700 0.020 0.000 0.755 310 E HN 0.371 nan 8.360 nan 0.000 0.451 311 K N 0.687 121.077 120.400 -0.017 0.000 2.103 311 K HA -0.135 4.183 4.320 -0.003 0.000 0.207 311 K C 2.129 178.726 176.600 -0.006 0.000 1.048 311 K CA 1.284 57.568 56.287 -0.005 0.000 0.930 311 K CB -0.110 32.403 32.500 0.022 0.000 0.716 311 K HN 0.089 nan 8.250 nan 0.000 0.444 312 A N 1.247 124.063 122.820 -0.006 0.000 1.933 312 A HA -0.121 4.198 4.320 -0.003 0.000 0.218 312 A C 2.049 179.624 177.584 -0.015 0.000 1.175 312 A CA 1.281 53.329 52.037 0.018 0.000 0.628 312 A CB -0.533 18.491 19.000 0.040 0.000 0.814 312 A HN 0.328 nan 8.150 nan 0.000 0.444 313 L N -0.492 120.629 121.223 -0.170 0.000 2.201 313 L HA -0.144 4.194 4.340 -0.003 0.000 0.212 313 L C 2.483 179.364 176.870 0.018 0.000 1.105 313 L CA 0.914 55.695 54.840 -0.099 0.000 0.775 313 L CB -0.700 41.162 42.059 -0.330 0.000 0.913 313 L HN 0.346 nan 8.230 nan 0.000 0.440 314 E N 1.033 121.211 120.200 -0.037 0.000 2.017 314 E HA -0.194 4.155 4.350 -0.003 0.000 0.193 314 E C 2.391 178.950 176.600 -0.067 0.000 0.997 314 E CA 1.516 57.878 56.400 -0.062 0.000 0.804 314 E CB -0.528 29.147 29.700 -0.042 0.000 0.757 314 E HN 0.413 nan 8.360 nan 0.000 0.448 315 A N 1.109 123.932 122.820 0.005 0.000 1.908 315 A HA -0.243 4.076 4.320 -0.003 0.000 0.218 315 A C 2.231 179.806 177.584 -0.014 0.000 1.181 315 A CA 1.807 53.864 52.037 0.033 0.000 0.627 315 A CB -1.020 18.058 19.000 0.131 0.000 0.818 315 A HN 0.339 nan 8.150 nan 0.000 0.445 316 Y N 0.775 121.011 120.300 -0.106 0.000 2.128 316 Y HA -0.153 4.395 4.550 -0.005 0.000 0.284 316 Y C 2.654 178.410 175.900 -0.240 0.000 1.154 316 Y CA 1.199 59.168 58.100 -0.219 0.000 1.149 316 Y CB -0.872 37.568 38.460 -0.033 0.000 0.976 316 Y HN 0.348 nan 8.280 nan 0.000 0.505 317 A N 1.070 123.657 122.820 -0.388 0.000 1.852 317 A HA -0.293 4.026 4.320 -0.003 0.000 0.217 317 A C 2.367 179.625 177.584 -0.542 0.000 1.215 317 A CA 2.579 54.083 52.037 -0.889 0.000 0.641 317 A CB -0.934 17.521 19.000 -0.909 0.000 0.838 317 A HN 0.565 nan 8.150 nan 0.000 0.450 318 R N -0.563 119.725 120.500 -0.353 0.000 2.103 318 R HA -0.160 4.179 4.340 -0.003 0.000 0.242 318 R C 2.482 178.609 176.300 -0.287 0.000 1.142 318 R CA 1.337 57.286 56.100 -0.252 0.000 0.960 318 R CB -0.761 29.440 30.300 -0.165 0.000 0.858 318 R HN 0.552 nan 8.270 nan 0.000 0.439 319 A N 0.948 123.549 122.820 -0.365 0.000 1.903 319 A HA -0.176 4.142 4.320 -0.003 0.000 0.219 319 A C 0.540 177.686 177.584 -0.731 0.000 1.191 319 A CA 1.358 53.071 52.037 -0.541 0.000 0.638 319 A CB -0.420 18.055 19.000 -0.877 0.000 0.823 319 A HN 0.257 nan 8.150 nan 0.000 0.451 320 Y N -1.977 118.087 120.300 -0.394 0.000 2.567 320 Y HA 0.437 4.989 4.550 0.003 0.000 0.333 320 Y C -1.409 174.362 175.900 -0.215 0.000 1.106 320 Y CA -1.737 56.195 58.100 -0.279 0.000 1.157 320 Y CB 1.359 39.617 38.460 -0.336 0.000 1.277 320 Y HN 0.033 nan 8.280 nan 0.000 0.490 321 P HA 0.096 nan 4.420 nan 0.000 0.205 321 P C -0.030 177.295 177.300 0.041 0.000 1.105 321 P CA 1.000 64.103 63.100 0.006 0.000 0.925 321 P CB 0.971 32.673 31.700 0.004 0.000 0.765 322 D N -0.511 119.921 120.400 0.053 0.000 2.367 322 D HA 0.093 4.732 4.640 -0.003 0.000 0.207 322 D C 1.241 177.587 176.300 0.077 0.000 1.034 322 D CA 0.368 54.402 54.000 0.057 0.000 0.861 322 D CB -0.396 40.427 40.800 0.039 0.000 0.943 322 D HN 0.036 nan 8.370 nan 0.000 0.515 323 L N 0.064 121.335 121.223 0.080 0.000 2.713 323 L HA 0.088 4.427 4.340 -0.003 0.000 0.245 323 L C 1.281 178.244 176.870 0.155 0.000 1.169 323 L CA 0.764 55.664 54.840 0.099 0.000 0.962 323 L CB -0.570 41.483 42.059 -0.010 0.000 1.161 323 L HN 0.048 nan 8.230 nan 0.000 0.427 324 H N -0.240 118.834 119.070 0.006 0.000 2.348 324 H HA 0.061 4.617 4.556 0.000 0.000 0.233 324 H C 1.637 176.967 175.328 0.004 0.000 0.889 324 H CA 0.332 56.360 56.048 -0.034 0.000 1.034 324 H CB 0.335 30.019 29.762 -0.130 0.000 1.393 324 H HN 0.393 nan 8.280 nan 0.000 0.422 325 Q N 0.693 120.503 119.800 0.017 0.000 2.408 325 Q HA 0.013 4.351 4.340 -0.003 0.000 0.214 325 Q C 0.148 176.130 176.000 -0.030 0.000 0.957 325 Q CA 0.618 56.403 55.803 -0.030 0.000 0.965 325 Q CB 0.280 29.038 28.738 0.034 0.000 0.991 325 Q HN 0.472 nan 8.270 nan 0.000 0.505 326 E N -0.097 120.087 120.200 -0.026 0.000 2.629 326 E HA 0.097 4.445 4.350 -0.003 0.000 0.197 326 E C 0.622 177.192 176.600 -0.050 0.000 0.955 326 E CA -0.246 56.180 56.400 0.043 0.000 1.191 326 E CB -0.083 29.732 29.700 0.192 0.000 1.175 326 E HN 0.285 nan 8.360 nan 0.000 0.501 330 R N 0.887 121.355 120.500 -0.053 0.000 2.200 330 R HA -0.078 4.261 4.340 -0.003 0.000 0.234 330 R C 1.643 177.893 176.300 -0.083 0.000 1.127 330 R CA 1.420 57.489 56.100 -0.053 0.000 0.989 330 R CB -0.116 30.155 30.300 -0.048 0.000 0.869 330 R HN 0.144 nan 8.270 nan 0.000 0.459 331 L N 0.178 121.338 121.223 -0.104 0.000 2.567 331 L HA 0.070 4.409 4.340 -0.003 0.000 0.225 331 L C 1.181 178.019 176.870 -0.053 0.000 1.119 331 L CA 1.178 55.962 54.840 -0.093 0.000 0.871 331 L CB 0.158 42.152 42.059 -0.108 0.000 1.036 331 L HN -0.101 nan 8.230 nan 0.000 0.459 332 R N -1.028 119.445 120.500 -0.044 0.000 2.334 332 R HA 0.312 4.651 4.340 -0.003 0.000 0.216 332 R C 1.358 177.649 176.300 -0.015 0.000 0.905 332 R CA 0.555 56.641 56.100 -0.024 0.000 1.064 332 R CB 0.116 30.403 30.300 -0.022 0.000 1.046 332 R HN 0.360 nan 8.270 nan 0.000 0.508 333 G N 1.650 110.440 108.800 -0.017 0.000 2.196 333 G HA2 -0.353 3.606 3.960 -0.003 0.000 0.268 333 G HA3 -0.353 3.606 3.960 -0.003 0.000 0.268 333 G C -0.132 174.767 174.900 -0.001 0.000 0.975 333 G CA 0.412 45.508 45.100 -0.006 0.000 0.648 333 G HN 0.433 nan 8.290 nan 0.000 0.538 334 E N 0.653 120.851 120.200 -0.003 0.000 2.376 334 E HA 0.438 4.787 4.350 -0.003 0.000 0.266 334 E C 1.206 177.811 176.600 0.008 0.000 1.009 334 E CA -0.007 56.394 56.400 0.002 0.000 0.902 334 E CB 0.638 30.337 29.700 -0.001 0.000 0.972 334 E HN 0.662 nan 8.360 nan 0.000 0.439 335 L N 1.519 122.750 121.223 0.013 0.000 2.416 335 L HA 0.716 5.055 4.340 -0.003 0.000 0.262 335 L C -2.109 174.773 176.870 0.021 0.000 1.093 335 L CA -1.878 52.974 54.840 0.020 0.000 0.801 335 L CB 0.251 42.324 42.059 0.024 0.000 1.191 335 L HN 0.367 nan 8.230 nan 0.000 0.459 336 P HA 0.473 nan 4.420 nan 0.000 0.288 336 P C -2.797 174.521 177.300 0.029 0.000 1.297 336 P CA -1.896 61.219 63.100 0.025 0.000 0.864 336 P CB 0.618 32.334 31.700 0.026 0.000 1.237 337 P HA 0.138 nan 4.420 nan 0.000 0.269 337 P C -0.143 177.182 177.300 0.042 0.000 1.263 337 P CA 0.196 63.317 63.100 0.035 0.000 0.813 337 P CB 0.106 31.825 31.700 0.030 0.000 0.868 338 L N 3.078 124.333 121.223 0.053 0.000 2.332 338 L HA 0.778 5.117 4.340 -0.003 0.000 0.269 338 L C -2.560 174.372 176.870 0.103 0.000 1.016 338 L CA -2.964 51.917 54.840 0.069 0.000 0.809 338 L CB 0.499 42.596 42.059 0.063 0.000 1.280 338 L HN 0.019 nan 8.230 nan 0.000 0.447 339 P HA 0.029 nan 4.420 nan 0.000 0.271 339 P C -0.374 177.106 177.300 0.300 0.000 1.228 339 P CA 0.129 63.345 63.100 0.193 0.000 0.797 339 P CB 0.392 32.216 31.700 0.207 0.000 0.914 340 E N -0.961 119.420 120.200 0.302 0.000 2.665 340 E HA 0.053 4.402 4.350 -0.003 0.000 0.225 340 E C -0.045 176.803 176.600 0.412 0.000 0.922 340 E CA 0.119 56.740 56.400 0.368 0.000 1.242 340 E CB 0.516 30.349 29.700 0.223 0.000 1.197 340 E HN 0.553 nan 8.360 nan 0.000 0.581 341 E N 3.050 123.337 120.200 0.145 0.000 2.171 341 E HA 0.281 4.630 4.350 -0.003 0.000 0.271 341 E C -2.476 173.710 176.600 -0.691 0.000 0.916 341 E CA -2.333 54.010 56.400 -0.095 0.000 0.774 341 E CB 2.058 31.716 29.700 -0.070 0.000 1.128 341 E HN -0.233 nan 8.360 nan 0.000 0.403 342 P HA 0.192 nan 4.420 nan 0.000 0.274 342 P C -2.495 174.478 177.300 -0.545 0.000 1.237 342 P CA -1.266 61.095 63.100 -1.231 0.000 0.793 342 P CB 0.392 31.883 31.700 -0.349 0.000 0.977 343 P HA 0.045 nan 4.420 nan 0.000 0.273 343 P C -0.026 176.902 177.300 -0.621 0.000 1.250 343 P CA -0.016 62.782 63.100 -0.502 0.000 0.793 343 P CB 0.330 31.719 31.700 -0.518 0.000 1.011 344 S N -0.040 115.344 115.700 -0.526 0.000 2.579 344 S HA 0.387 4.856 4.470 -0.003 0.000 0.275 344 S C -0.352 173.808 174.600 -0.733 0.000 1.345 344 S CA 0.384 58.354 58.200 -0.382 0.000 1.031 344 S CB -0.548 62.529 63.200 -0.204 0.000 0.892 344 S HN 0.299 nan 8.310 nan 0.000 0.529 345 F N 0.998 120.978 119.950 0.050 0.000 2.604 345 F HA 0.291 4.817 4.527 -0.003 0.000 0.316 345 F C 0.420 176.245 175.800 0.042 0.000 1.136 345 F CA -1.037 56.945 58.000 -0.031 0.000 0.989 345 F CB 1.731 40.580 39.000 -0.252 0.000 1.258 345 F HN 0.634 nan 8.300 nan 0.000 0.451 346 D N 0.481 121.001 120.400 0.199 0.000 2.502 346 D HA 0.105 4.743 4.640 -0.003 0.000 0.232 346 D C -0.170 176.190 176.300 0.100 0.000 1.137 346 D CA 0.065 54.144 54.000 0.133 0.000 0.827 346 D CB 0.995 41.844 40.800 0.081 0.000 1.141 346 D HN 0.609 nan 8.370 nan 0.000 0.517 347 K N 0.571 121.026 120.400 0.092 0.000 2.482 347 K HA 0.547 4.866 4.320 -0.003 0.000 0.257 347 K C -3.077 173.526 176.600 0.005 0.000 0.969 347 K CA -1.795 54.519 56.287 0.046 0.000 0.842 347 K CB 1.911 34.433 32.500 0.036 0.000 1.359 347 K HN -0.327 nan 8.250 nan 0.000 0.441 348 P HA 0.052 nan 4.420 nan 0.000 0.265 348 P C -0.991 176.253 177.300 -0.093 0.000 1.193 348 P CA 0.030 63.083 63.100 -0.078 0.000 0.765 348 P CB 0.511 32.168 31.700 -0.071 0.000 0.823 349 I N 2.039 122.515 120.570 -0.157 0.000 2.865 349 I HA 0.569 4.738 4.170 -0.003 0.000 0.302 349 I C -1.000 175.010 176.117 -0.180 0.000 1.140 349 I CA -1.289 59.922 61.300 -0.147 0.000 1.021 349 I CB 2.245 40.147 38.000 -0.162 0.000 1.233 349 I HN 0.420 nan 8.210 nan 0.000 0.427 350 A N 3.068 125.804 122.820 -0.140 0.000 2.401 350 A HA 0.414 4.732 4.320 -0.003 0.000 0.259 350 A C 1.196 178.709 177.584 -0.118 0.000 1.103 350 A CA 0.372 52.320 52.037 -0.148 0.000 0.789 350 A CB -0.058 18.860 19.000 -0.136 0.000 1.035 350 A HN 0.967 nan 8.150 nan 0.000 0.491 351 T N 0.473 114.961 114.554 -0.110 0.000 2.897 351 T HA -0.274 4.074 4.350 -0.003 0.000 0.271 351 T C 1.598 176.307 174.700 0.015 0.000 1.084 351 T CA 1.620 63.685 62.100 -0.058 0.000 1.123 351 T CB -0.457 68.396 68.868 -0.026 0.000 0.865 351 T HN 0.852 nan 8.240 nan 0.000 0.496 352 R N 1.684 122.195 120.500 0.018 0.000 2.090 352 R HA 0.283 4.621 4.340 -0.003 0.000 0.228 352 R C 2.637 178.994 176.300 0.095 0.000 1.110 352 R CA 1.105 57.258 56.100 0.089 0.000 0.973 352 R CB -0.828 29.533 30.300 0.101 0.000 0.869 352 R HN 0.399 nan 8.270 nan 0.000 0.440 353 A N 1.673 124.521 122.820 0.046 0.000 1.872 353 A HA 0.134 4.452 4.320 -0.003 0.000 0.214 353 A C 2.560 180.192 177.584 0.081 0.000 1.187 353 A CA 1.192 53.264 52.037 0.057 0.000 0.614 353 A CB -0.776 18.239 19.000 0.025 0.000 0.826 353 A HN 0.500 nan 8.150 nan 0.000 0.442 354 A N -0.581 122.253 122.820 0.024 0.000 1.948 354 A HA -0.160 4.159 4.320 -0.003 0.000 0.220 354 A C 2.456 180.138 177.584 0.164 0.000 1.177 354 A CA 2.296 54.342 52.037 0.015 0.000 0.636 354 A CB -0.921 17.931 19.000 -0.247 0.000 0.815 354 A HN 0.547 nan 8.150 nan 0.000 0.449 355 S N -0.705 115.099 115.700 0.174 0.000 2.348 355 S HA -0.028 4.441 4.470 -0.003 0.000 0.221 355 S C 2.123 176.819 174.600 0.160 0.000 1.033 355 S CA 1.713 60.089 58.200 0.293 0.000 1.010 355 S CB -0.818 62.604 63.200 0.370 0.000 0.891 355 S HN 0.734 nan 8.310 nan 0.000 0.442 356 G N 2.220 111.096 108.800 0.126 0.000 2.503 356 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.221 356 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.221 356 G C 1.668 176.582 174.900 0.024 0.000 1.131 356 G CA 0.645 45.783 45.100 0.063 0.000 0.756 356 G HN 0.419 nan 8.290 nan 0.000 0.572 357 R N 0.528 121.075 120.500 0.078 0.000 2.075 357 R HA 0.032 4.370 4.340 -0.003 0.000 0.232 357 R C 3.043 179.350 176.300 0.012 0.000 1.126 357 R CA 1.209 57.342 56.100 0.054 0.000 0.963 357 R CB -0.927 29.463 30.300 0.150 0.000 0.858 357 R HN 0.360 nan 8.270 nan 0.000 0.435 358 A N 1.319 124.180 122.820 0.067 0.000 1.940 358 A HA -0.130 4.189 4.320 -0.003 0.000 0.219 358 A C 2.284 179.766 177.584 -0.169 0.000 1.176 358 A CA 1.221 53.289 52.037 0.051 0.000 0.631 358 A CB -0.539 18.549 19.000 0.147 0.000 0.814 358 A HN 0.199 nan 8.150 nan 0.000 0.446 359 L N -0.521 120.521 121.223 -0.302 0.000 2.240 359 L HA -0.087 4.251 4.340 -0.003 0.000 0.211 359 L C 1.748 178.524 176.870 -0.157 0.000 1.106 359 L CA 0.537 55.167 54.840 -0.351 0.000 0.793 359 L CB -0.440 41.399 42.059 -0.367 0.000 0.927 359 L HN 0.342 nan 8.230 nan 0.000 0.446 360 N N -0.063 118.577 118.700 -0.099 0.000 2.459 360 N HA -0.107 4.632 4.740 -0.003 0.000 0.181 360 N C 1.520 176.991 175.510 -0.066 0.000 1.046 360 N CA 0.877 53.886 53.050 -0.067 0.000 0.904 360 N CB 0.239 38.692 38.487 -0.056 0.000 0.964 360 N HN 0.210 nan 8.380 nan 0.000 0.444 361 L N -0.403 120.778 121.223 -0.069 0.000 2.609 361 L HA 0.313 4.651 4.340 -0.003 0.000 0.230 361 L C 1.407 178.264 176.870 -0.023 0.000 1.087 361 L CA 0.594 55.403 54.840 -0.052 0.000 0.874 361 L CB 0.252 42.268 42.059 -0.071 0.000 1.114 361 L HN -0.028 nan 8.230 nan 0.000 0.488 362 L N -1.554 119.643 121.223 -0.043 0.000 2.425 362 L HA 0.257 4.596 4.340 -0.003 0.000 0.215 362 L C 2.487 179.331 176.870 -0.043 0.000 1.065 362 L CA 0.669 55.488 54.840 -0.036 0.000 0.842 362 L CB -0.692 41.316 42.059 -0.084 0.000 1.033 362 L HN 0.177 nan 8.230 nan 0.000 0.474 363 A N 1.550 124.334 122.820 -0.059 0.000 1.869 363 A HA -0.186 4.133 4.320 -0.003 0.000 0.218 363 A C -0.053 177.530 177.584 -0.003 0.000 1.203 363 A CA 2.139 54.162 52.037 -0.024 0.000 0.638 363 A CB -1.939 17.050 19.000 -0.018 0.000 0.831 363 A HN 0.223 nan 8.150 nan 0.000 0.450 364 P HA -0.203 nan 4.420 nan 0.000 0.214 364 P C 1.344 178.648 177.300 0.007 0.000 1.169 364 P CA 1.758 64.857 63.100 -0.001 0.000 0.908 364 P CB -0.210 31.485 31.700 -0.007 0.000 0.791 365 R N -1.024 119.481 120.500 0.008 0.000 2.293 365 R HA -0.016 4.323 4.340 -0.003 0.000 0.219 365 R C 0.472 176.786 176.300 0.023 0.000 1.091 365 R CA 0.593 56.703 56.100 0.016 0.000 1.004 365 R CB -0.633 29.680 30.300 0.020 0.000 0.865 365 R HN 0.285 nan 8.270 nan 0.000 0.469 366 L N 2.436 123.673 121.223 0.023 0.000 2.426 366 L HA 0.265 4.603 4.340 -0.003 0.000 0.255 366 L C -1.787 175.111 176.870 0.048 0.000 1.080 366 L CA -1.469 53.394 54.840 0.037 0.000 0.960 366 L CB 1.410 43.491 42.059 0.036 0.000 1.326 366 L HN -0.170 nan 8.230 nan 0.000 0.441 367 P HA -0.050 nan 4.420 nan 0.000 0.249 367 P C 0.467 177.824 177.300 0.096 0.000 1.241 367 P CA 0.554 63.685 63.100 0.052 0.000 0.781 367 P CB 0.365 32.083 31.700 0.030 0.000 1.088 368 E N -0.718 119.549 120.200 0.113 0.000 2.538 368 E HA 0.109 4.458 4.350 -0.003 0.000 0.207 368 E C 0.153 176.884 176.600 0.220 0.000 1.002 368 E CA -0.442 56.065 56.400 0.179 0.000 0.952 368 E CB -0.469 29.291 29.700 0.100 0.000 1.031 368 E HN 0.274 nan 8.360 nan 0.000 0.476 369 L N 1.926 123.237 121.223 0.146 0.000 2.281 369 L HA 0.356 4.694 4.340 -0.003 0.000 0.285 369 L C -0.421 176.473 176.870 0.039 0.000 1.074 369 L CA -0.435 54.483 54.840 0.131 0.000 0.817 369 L CB 0.720 42.869 42.059 0.149 0.000 1.168 369 L HN 0.057 nan 8.230 nan 0.000 0.434 370 L N 4.728 125.914 121.223 -0.061 0.000 2.316 370 L HA 0.460 4.799 4.340 -0.003 0.000 0.280 370 L C 0.694 177.261 176.870 -0.505 0.000 1.006 370 L CA -0.367 54.312 54.840 -0.268 0.000 0.836 370 L CB 1.473 43.310 42.059 -0.370 0.000 1.221 370 L HN 0.656 nan 8.230 nan 0.000 0.418 371 G N 1.655 110.035 108.800 -0.700 0.000 2.975 371 G HA2 0.802 4.761 3.960 -0.003 0.000 0.159 371 G HA3 0.802 4.761 3.960 -0.003 0.000 0.159 371 G C 0.016 174.394 174.900 -0.871 0.000 1.525 371 G CA -0.025 44.220 45.100 -1.425 0.000 1.075 371 G HN 0.885 nan 8.290 nan 0.000 0.574 372 G N -2.446 105.862 108.800 -0.820 0.000 2.355 372 G HA2 0.479 4.438 3.960 -0.003 0.000 0.619 372 G HA3 0.479 4.438 3.960 -0.003 0.000 0.619 372 G C -0.725 174.093 174.900 -0.136 0.000 1.337 372 G CA 0.589 45.167 45.100 -0.870 0.000 0.993 372 G HN 1.696 nan 8.290 nan 0.000 0.599 373 S N -1.596 114.120 115.700 0.026 0.000 2.565 373 S HA 0.786 5.254 4.470 -0.003 0.000 0.269 373 S C -0.064 174.663 174.600 0.212 0.000 1.153 373 S CA 0.741 59.041 58.200 0.167 0.000 0.835 373 S CB 1.420 64.747 63.200 0.212 0.000 1.122 373 S HN 2.345 nan 8.310 nan 0.000 0.462 374 A N 2.740 125.632 122.820 0.120 0.000 3.126 374 A HA 0.531 4.850 4.320 -0.003 0.000 0.268 374 A C 0.396 177.988 177.584 0.014 0.000 1.605 374 A CA 0.496 52.584 52.037 0.085 0.000 1.305 374 A CB -1.400 17.595 19.000 -0.009 0.000 1.160 374 A HN 1.226 nan 8.150 nan 0.000 0.609 375 D N -0.520 119.926 120.400 0.076 0.000 2.907 375 D HA -0.159 4.479 4.640 -0.003 0.000 0.226 375 D C -0.143 176.163 176.300 0.009 0.000 1.141 375 D CA 1.332 55.367 54.000 0.057 0.000 0.779 375 D CB -1.550 39.249 40.800 -0.001 0.000 1.095 375 D HN 0.484 nan 8.370 nan 0.000 0.430 376 L N -0.417 120.813 121.223 0.012 0.000 3.425 376 L HA 0.219 4.558 4.340 -0.003 0.000 0.330 376 L C 1.776 178.684 176.870 0.063 0.000 1.317 376 L CA -0.036 54.778 54.840 -0.044 0.000 0.940 376 L CB 0.425 42.308 42.059 -0.294 0.000 1.378 376 L HN -0.039 nan 8.230 nan 0.000 0.611 377 T N 1.246 115.877 114.554 0.128 0.000 2.665 377 T HA -0.097 4.252 4.350 -0.003 0.000 0.268 377 T C -0.499 174.261 174.700 0.100 0.000 1.035 377 T CA 1.800 63.989 62.100 0.147 0.000 1.151 377 T CB -0.702 68.246 68.868 0.135 0.000 0.862 377 T HN 0.315 nan 8.240 nan 0.000 0.438 378 P HA 0.135 nan 4.420 nan 0.000 0.229 378 P C 1.060 178.439 177.300 0.131 0.000 1.160 378 P CA 0.866 64.019 63.100 0.088 0.000 0.777 378 P CB 0.081 31.828 31.700 0.079 0.000 0.814 379 S N -0.310 115.487 115.700 0.162 0.000 2.483 379 S HA 0.095 4.564 4.470 -0.003 0.000 0.221 379 S C 1.551 176.342 174.600 0.318 0.000 1.030 379 S CA 0.315 58.676 58.200 0.267 0.000 0.925 379 S CB -0.439 62.928 63.200 0.279 0.000 0.795 379 S HN 0.336 nan 8.310 nan 0.000 0.511 380 N N 1.244 120.079 118.700 0.224 0.000 2.299 380 N HA 0.119 4.857 4.740 -0.003 0.000 0.187 380 N C -0.797 174.848 175.510 0.226 0.000 1.099 380 N CA -0.111 53.085 53.050 0.244 0.000 0.867 380 N CB 0.079 38.689 38.487 0.205 0.000 0.974 380 N HN 0.191 nan 8.380 nan 0.000 0.477 381 N N -0.034 118.775 118.700 0.181 0.000 2.725 381 N HA -0.160 4.578 4.740 -0.003 0.000 0.251 381 N C 0.335 175.955 175.510 0.183 0.000 1.031 381 N CA 1.254 54.391 53.050 0.144 0.000 0.720 381 N CB -1.711 36.857 38.487 0.136 0.000 0.930 381 N HN 0.393 nan 8.380 nan 0.000 0.543 382 T N -4.203 110.493 114.554 0.237 0.000 3.044 382 T HA 0.020 4.369 4.350 -0.003 0.000 0.250 382 T C 0.647 175.600 174.700 0.422 0.000 1.081 382 T CA 0.029 62.376 62.100 0.411 0.000 1.040 382 T CB 0.455 69.633 68.868 0.516 0.000 0.962 382 T HN 0.341 nan 8.240 nan 0.000 0.506 383 K N 2.397 122.804 120.400 0.013 0.000 2.231 383 K HA 0.607 4.925 4.320 -0.003 0.000 0.275 383 K C 0.071 176.615 176.600 -0.094 0.000 1.105 383 K CA -0.537 55.527 56.287 -0.372 0.000 0.931 383 K CB 0.133 32.116 32.500 -0.862 0.000 1.296 383 K HN 0.330 nan 8.250 nan 0.000 0.446 384 A N 3.747 126.595 122.820 0.046 0.000 2.520 384 A HA -0.015 4.304 4.320 -0.003 0.000 0.235 384 A C 0.093 177.665 177.584 -0.020 0.000 1.065 384 A CA -0.131 51.917 52.037 0.019 0.000 0.764 384 A CB 0.154 19.182 19.000 0.047 0.000 1.002 384 A HN 0.883 nan 8.150 nan 0.000 0.502 385 E N 0.904 121.087 120.200 -0.028 0.000 2.437 385 E HA 0.371 4.720 4.350 -0.003 0.000 0.263 385 E C 0.857 177.445 176.600 -0.021 0.000 1.030 385 E CA 0.939 57.321 56.400 -0.030 0.000 0.934 385 E CB 0.206 29.887 29.700 -0.031 0.000 0.943 385 E HN 1.715 nan 8.360 nan 0.000 0.444 389 D N 0.831 121.330 120.400 0.164 0.000 2.357 389 D HA 0.239 4.878 4.640 -0.003 0.000 0.242 389 D C -0.665 175.764 176.300 0.215 0.000 1.153 389 D CA 0.286 54.443 54.000 0.261 0.000 0.918 389 D CB 0.663 41.622 40.800 0.264 0.000 1.181 389 D HN 0.142 nan 8.370 nan 0.000 0.435 390 F N 0.299 120.294 119.950 0.074 0.000 2.523 390 F HA 0.483 5.008 4.527 -0.003 0.000 0.329 390 F C -0.465 175.359 175.800 0.040 0.000 1.061 390 F CA -0.380 57.604 58.000 -0.026 0.000 0.967 390 F CB 1.438 40.335 39.000 -0.171 0.000 1.218 390 F HN 0.385 nan 8.300 nan 0.000 0.480 391 S N 3.514 118.413 115.700 -1.336 0.000 2.622 391 S HA 0.240 4.708 4.470 -0.003 0.000 0.275 391 S C 0.191 174.227 174.600 -0.941 0.000 1.112 391 S CA -0.642 57.012 58.200 -0.909 0.000 0.837 391 S CB 1.209 64.213 63.200 -0.327 0.000 1.082 391 S HN 1.043 nan 8.310 nan 0.000 0.456 392 R N 0.916 121.084 120.500 -0.553 0.000 2.139 392 R HA -0.106 4.232 4.340 -0.003 0.000 0.243 392 R C 1.917 178.056 176.300 -0.269 0.000 1.145 392 R CA 1.777 57.673 56.100 -0.340 0.000 0.976 392 R CB -1.144 29.024 30.300 -0.218 0.000 0.866 392 R HN 0.754 nan 8.270 nan 0.000 0.449 393 A N 1.568 124.232 122.820 -0.260 0.000 1.858 393 A HA -0.174 4.145 4.320 -0.003 0.000 0.216 393 A C 1.206 178.691 177.584 -0.164 0.000 1.190 393 A CA 1.415 53.348 52.037 -0.173 0.000 0.617 393 A CB -0.414 18.500 19.000 -0.144 0.000 0.827 393 A HN 0.592 nan 8.150 nan 0.000 0.443 394 N N -0.003 118.564 118.700 -0.222 0.000 2.706 394 N HA 0.248 4.986 4.740 -0.003 0.000 0.240 394 N C -2.429 172.982 175.510 -0.166 0.000 1.039 394 N CA -1.715 51.246 53.050 -0.148 0.000 0.888 394 N CB 1.472 39.905 38.487 -0.091 0.000 1.128 394 N HN 0.066 nan 8.380 nan 0.000 0.512 395 P HA -0.027 nan 4.420 nan 0.000 0.242 395 P C 0.844 178.320 177.300 0.294 0.000 1.197 395 P CA 0.381 63.632 63.100 0.252 0.000 0.765 395 P CB 0.441 32.214 31.700 0.122 0.000 0.936 396 L N -0.936 120.385 121.223 0.163 0.000 2.298 396 L HA 0.191 4.530 4.340 -0.003 0.000 0.209 396 L C 1.584 178.513 176.870 0.099 0.000 1.084 396 L CA 0.233 55.123 54.840 0.084 0.000 0.816 396 L CB -1.161 40.913 42.059 0.025 0.000 0.967 396 L HN -0.010 nan 8.230 nan 0.000 0.460 397 G N 0.263 109.182 108.800 0.198 0.000 2.168 397 G HA2 -0.176 3.782 3.960 -0.003 0.000 0.240 397 G HA3 -0.176 3.782 3.960 -0.003 0.000 0.240 397 G C 0.702 175.631 174.900 0.048 0.000 1.080 397 G CA 0.089 45.297 45.100 0.180 0.000 0.877 397 G HN 0.299 nan 8.290 nan 0.000 0.446 398 R N 1.250 121.760 120.500 0.017 0.000 2.189 398 R HA 0.058 4.397 4.340 -0.003 0.000 0.203 398 R C 0.120 176.366 176.300 -0.091 0.000 1.012 398 R CA -0.049 56.005 56.100 -0.076 0.000 1.015 398 R CB 0.228 30.518 30.300 -0.017 0.000 0.938 398 R HN 0.627 nan 8.270 nan 0.000 0.472 399 Y N 1.329 121.578 120.300 -0.085 0.000 2.308 399 Y HA 0.325 4.873 4.550 -0.003 0.000 0.329 399 Y C -0.651 175.179 175.900 -0.116 0.000 1.111 399 Y CA -0.474 57.553 58.100 -0.122 0.000 1.179 399 Y CB 0.619 39.033 38.460 -0.077 0.000 1.201 399 Y HN -0.147 nan 8.280 nan 0.000 0.483 400 L N 6.363 127.054 121.223 -0.887 0.000 2.341 400 L HA 0.382 4.720 4.340 -0.003 0.000 0.278 400 L C -1.176 175.211 176.870 -0.805 0.000 1.005 400 L CA -0.923 53.522 54.840 -0.659 0.000 0.818 400 L CB 1.539 43.107 42.059 -0.818 0.000 1.259 400 L HN 0.645 nan 8.230 nan 0.000 0.418 401 H N 2.767 121.670 119.070 -0.278 0.000 2.581 401 H HA 0.271 4.825 4.556 -0.003 0.000 0.308 401 H C -0.116 175.073 175.328 -0.232 0.000 1.040 401 H CA -0.218 55.756 56.048 -0.125 0.000 1.231 401 H CB 0.838 30.623 29.762 0.039 0.000 1.396 401 H HN 0.428 nan 8.280 nan 0.000 0.467 402 F N 1.411 121.419 119.950 0.096 0.000 2.765 402 F HA 0.185 4.711 4.527 -0.003 0.000 0.302 402 F C 1.844 177.606 175.800 -0.063 0.000 1.111 402 F CA 0.628 58.642 58.000 0.024 0.000 1.359 402 F CB -0.007 39.006 39.000 0.022 0.000 1.097 402 F HN 0.856 nan 8.300 nan 0.000 0.577 403 G N 0.346 109.205 108.800 0.099 0.000 2.569 403 G HA2 -0.271 3.688 3.960 -0.003 0.000 0.259 403 G HA3 -0.271 3.688 3.960 -0.003 0.000 0.259 403 G C -0.252 174.646 174.900 -0.003 0.000 1.263 403 G CA -0.353 44.749 45.100 0.004 0.000 0.928 403 G HN 0.017 nan 8.290 nan 0.000 0.572 404 V N 1.824 121.696 119.914 -0.070 0.000 2.135 404 V HA 0.436 4.554 4.120 -0.003 0.000 0.287 404 V C 0.769 176.780 176.094 -0.138 0.000 1.607 404 V CA 0.587 62.808 62.300 -0.132 0.000 1.585 404 V CB -0.658 31.063 31.823 -0.170 0.000 1.470 404 V HN 0.505 nan 8.190 nan 0.000 0.513 405 R N 1.237 121.689 120.500 -0.080 0.000 2.629 405 R HA 0.332 4.670 4.340 -0.003 0.000 0.275 405 R C 0.144 176.422 176.300 -0.037 0.000 1.719 405 R CA -0.417 55.651 56.100 -0.054 0.000 1.472 405 R CB 1.349 31.634 30.300 -0.025 0.000 1.237 405 R HN 0.309 nan 8.270 nan 0.000 0.589 406 E N 0.525 120.683 120.200 -0.069 0.000 2.031 406 E HA -0.199 4.149 4.350 -0.003 0.000 0.193 406 E C 1.510 178.144 176.600 0.056 0.000 0.994 406 E CA 1.498 57.883 56.400 -0.026 0.000 0.800 406 E CB -0.094 29.597 29.700 -0.015 0.000 0.752 406 E HN 0.552 nan 8.360 nan 0.000 0.447 407 H N 0.115 119.186 119.070 0.003 0.000 2.265 407 H HA -0.089 4.466 4.556 -0.003 0.000 0.295 407 H C 0.941 176.256 175.328 -0.023 0.000 1.084 407 H CA 0.643 56.694 56.048 0.005 0.000 1.261 407 H CB -0.059 29.717 29.762 0.023 0.000 1.360 407 H HN 0.225 nan 8.280 nan 0.000 0.487 411 A N 0.699 123.595 122.820 0.126 0.000 1.978 411 A HA 0.193 4.512 4.320 -0.003 0.000 0.220 411 A C 2.279 179.905 177.584 0.070 0.000 1.170 411 A CA 1.694 53.786 52.037 0.092 0.000 0.636 411 A CB -0.444 18.578 19.000 0.035 0.000 0.810 411 A HN 0.467 nan 8.150 nan 0.000 0.448 412 I N -0.856 119.752 120.570 0.064 0.000 2.406 412 I HA -0.148 4.021 4.170 -0.003 0.000 0.249 412 I C 2.264 178.409 176.117 0.047 0.000 1.122 412 I CA 0.611 61.965 61.300 0.091 0.000 1.431 412 I CB -0.239 37.892 38.000 0.219 0.000 1.087 412 I HN 0.262 nan 8.210 nan 0.000 0.424 413 L N 0.814 122.036 121.223 -0.000 0.000 2.083 413 L HA -0.209 4.129 4.340 -0.003 0.000 0.209 413 L C 1.661 178.524 176.870 -0.011 0.000 1.083 413 L CA 1.167 55.986 54.840 -0.036 0.000 0.752 413 L CB -0.599 41.411 42.059 -0.082 0.000 0.899 413 L HN 0.338 nan 8.230 nan 0.000 0.433 414 N N 0.164 118.888 118.700 0.040 0.000 2.626 414 N HA -0.072 4.667 4.740 -0.003 0.000 0.193 414 N C 1.336 176.872 175.510 0.044 0.000 1.213 414 N CA 0.900 53.981 53.050 0.050 0.000 0.914 414 N CB 0.042 38.582 38.487 0.089 0.000 0.994 414 N HN 0.376 nan 8.380 nan 0.000 0.447 415 G N -0.001 108.820 108.800 0.034 0.000 2.729 415 G HA2 0.005 3.964 3.960 -0.003 0.000 0.211 415 G HA3 0.005 3.964 3.960 -0.003 0.000 0.211 415 G C 1.270 176.194 174.900 0.040 0.000 1.182 415 G CA -0.162 44.960 45.100 0.038 0.000 0.851 415 G HN 0.083 nan 8.290 nan 0.000 0.607 416 L N 1.969 123.185 121.223 -0.011 0.000 2.103 416 L HA -0.152 4.187 4.340 -0.003 0.000 0.215 416 L C 2.236 179.166 176.870 0.100 0.000 1.080 416 L CA 1.526 56.358 54.840 -0.013 0.000 0.764 416 L CB -1.254 40.733 42.059 -0.121 0.000 0.890 416 L HN 0.281 nan 8.230 nan 0.000 0.435 417 N N -0.587 118.150 118.700 0.061 0.000 2.368 417 N HA -0.018 4.721 4.740 -0.003 0.000 0.176 417 N C 1.868 177.422 175.510 0.074 0.000 1.021 417 N CA 0.416 53.506 53.050 0.066 0.000 0.888 417 N CB 0.197 38.694 38.487 0.016 0.000 0.995 417 N HN 0.327 nan 8.380 nan 0.000 0.437 418 L N 0.476 121.745 121.223 0.078 0.000 2.610 418 L HA -0.017 4.321 4.340 -0.003 0.000 0.232 418 L C 1.897 178.829 176.870 0.102 0.000 1.149 418 L CA 0.466 55.350 54.840 0.074 0.000 0.872 418 L CB -0.198 41.901 42.059 0.067 0.000 0.992 418 L HN 0.300 nan 8.230 nan 0.000 0.447 419 H N -0.558 118.531 119.070 0.032 0.000 2.545 419 H HA 0.203 4.757 4.556 -0.003 0.000 0.283 419 H C 0.585 175.917 175.328 0.007 0.000 0.997 419 H CA 1.034 57.099 56.048 0.029 0.000 1.269 419 H CB 1.300 31.101 29.762 0.066 0.000 1.451 419 H HN 0.228 nan 8.280 nan 0.000 0.508 420 G N -1.496 107.359 108.800 0.092 0.000 2.592 420 G HA2 0.188 4.146 3.960 -0.003 0.000 0.685 420 G HA3 0.188 4.146 3.960 -0.003 0.000 0.685 420 G C 0.649 175.529 174.900 -0.034 0.000 1.278 420 G CA 0.069 45.164 45.100 -0.008 0.000 0.822 420 G HN 0.789 nan 8.290 nan 0.000 0.652 421 G N -0.809 107.925 108.800 -0.110 0.000 2.284 421 G HA2 -0.146 3.812 3.960 -0.003 0.000 0.261 421 G HA3 -0.146 3.812 3.960 -0.003 0.000 0.261 421 G C 0.367 175.068 174.900 -0.331 0.000 0.997 421 G CA 1.640 46.584 45.100 -0.259 0.000 0.621 421 G HN 1.803 nan 8.290 nan 0.000 0.534 422 Y N -0.907 119.424 120.300 0.051 0.000 2.499 422 Y HA 0.831 5.380 4.550 -0.002 0.000 0.347 422 Y C 0.308 176.217 175.900 0.015 0.000 0.987 422 Y CA -1.713 56.401 58.100 0.023 0.000 1.044 422 Y CB 1.987 40.440 38.460 -0.012 0.000 1.245 422 Y HN 0.124 nan 8.280 nan 0.000 0.461 423 R N 1.912 122.538 120.500 0.210 0.000 2.472 423 R HA 0.800 5.138 4.340 -0.003 0.000 0.294 423 R C -1.675 174.693 176.300 0.114 0.000 1.243 423 R CA -0.526 55.651 56.100 0.129 0.000 1.023 423 R CB 0.450 30.821 30.300 0.119 0.000 1.157 423 R HN 0.734 nan 8.270 nan 0.000 0.530 424 A N 3.888 126.735 122.820 0.045 0.000 2.324 424 A HA 0.662 4.980 4.320 -0.003 0.000 0.330 424 A C -1.314 176.269 177.584 -0.001 0.000 1.165 424 A CA -0.593 51.423 52.037 -0.036 0.000 0.813 424 A CB 0.443 19.368 19.000 -0.125 0.000 1.197 424 A HN 0.707 nan 8.150 nan 0.000 0.484 425 Y N -0.300 119.985 120.300 -0.025 0.000 2.570 425 Y HA 0.852 5.401 4.550 -0.003 0.000 0.345 425 Y C 0.035 175.925 175.900 -0.017 0.000 1.014 425 Y CA -1.011 57.066 58.100 -0.039 0.000 1.063 425 Y CB 1.344 39.880 38.460 0.128 0.000 1.272 425 Y HN 0.905 nan 8.280 nan 0.000 0.477 426 G N -0.260 108.596 108.800 0.095 0.000 2.659 426 G HA2 0.592 4.551 3.960 -0.003 0.000 0.296 426 G HA3 0.592 4.551 3.960 -0.003 0.000 0.296 426 G C -1.382 173.582 174.900 0.107 0.000 1.369 426 G CA -0.642 44.479 45.100 0.034 0.000 0.937 426 G HN 1.111 nan 8.290 nan 0.000 0.485 427 G N -1.394 107.481 108.800 0.124 0.000 2.537 427 G HA2 0.845 4.804 3.960 -0.003 0.000 0.308 427 G HA3 0.845 4.804 3.960 -0.003 0.000 0.308 427 G C -0.755 174.197 174.900 0.086 0.000 1.237 427 G CA 0.034 45.195 45.100 0.101 0.000 0.968 427 G HN 1.169 nan 8.290 nan 0.000 0.481 428 T N -1.382 113.246 114.554 0.124 0.000 2.661 428 T HA 0.510 4.858 4.350 -0.003 0.000 0.303 428 T C -1.564 173.284 174.700 0.246 0.000 1.658 428 T CA -0.606 61.550 62.100 0.094 0.000 0.974 428 T CB 0.346 69.328 68.868 0.190 0.000 1.857 428 T HN 0.278 nan 8.240 nan 0.000 0.475 429 F N 2.241 122.304 119.950 0.188 0.000 2.389 429 F HA 0.437 4.963 4.527 -0.002 0.000 0.337 429 F C 1.440 177.206 175.800 -0.057 0.000 1.112 429 F CA -1.358 56.612 58.000 -0.050 0.000 1.192 429 F CB 0.543 39.261 39.000 -0.469 0.000 1.185 429 F HN 0.484 nan 8.300 nan 0.000 0.552 430 L N 3.225 124.510 121.223 0.104 0.000 2.043 430 L HA -0.157 4.181 4.340 -0.003 0.000 0.212 430 L C 2.104 178.674 176.870 -0.499 0.000 1.075 430 L CA 1.522 56.201 54.840 -0.268 0.000 0.752 430 L CB -0.838 41.101 42.059 -0.200 0.000 0.891 430 L HN 0.539 nan 8.230 nan 0.000 0.432 431 V N -0.665 118.893 119.914 -0.594 0.000 2.469 431 V HA -0.283 3.836 4.120 -0.003 0.000 0.251 431 V C 2.062 178.031 176.094 -0.208 0.000 1.064 431 V CA 1.825 63.671 62.300 -0.756 0.000 1.066 431 V CB -0.603 30.809 31.823 -0.684 0.000 0.667 431 V HN 0.465 nan 8.190 nan 0.000 0.461 432 F N 1.156 121.100 119.950 -0.011 0.000 2.811 432 F HA 0.125 4.650 4.527 -0.003 0.000 0.301 432 F C 2.496 178.349 175.800 0.088 0.000 1.151 432 F CA 0.563 58.622 58.000 0.099 0.000 1.412 432 F CB -1.364 37.629 39.000 -0.012 0.000 1.113 432 F HN 0.375 nan 8.300 nan 0.000 0.579 433 S N -1.047 114.676 115.700 0.038 0.000 2.469 433 S HA -0.174 4.295 4.470 -0.003 0.000 0.238 433 S C 1.529 176.125 174.600 -0.008 0.000 0.998 433 S CA 1.148 59.267 58.200 -0.135 0.000 0.957 433 S CB -0.346 62.458 63.200 -0.659 0.000 0.764 433 S HN 0.260 nan 8.310 nan 0.000 0.514 434 D N 0.643 121.114 120.400 0.118 0.000 2.178 434 D HA 0.043 4.681 4.640 -0.003 0.000 0.201 434 D C 0.430 176.705 176.300 -0.041 0.000 0.980 434 D CA 0.819 54.837 54.000 0.030 0.000 0.842 434 D CB -0.270 40.571 40.800 0.069 0.000 0.948 434 D HN 0.460 nan 8.370 nan 0.000 0.472 438 P HA 0.119 nan 4.420 nan 0.000 0.221 438 P C 0.710 178.007 177.300 -0.004 0.000 1.150 438 P CA 1.848 64.897 63.100 -0.086 0.000 0.800 438 P CB 0.102 31.791 31.700 -0.018 0.000 0.787 439 A N -0.972 121.852 122.820 0.006 0.000 2.021 439 A HA -0.036 4.282 4.320 -0.003 0.000 0.216 439 A C 2.107 179.731 177.584 0.066 0.000 1.163 439 A CA 0.760 52.852 52.037 0.091 0.000 0.676 439 A CB -1.264 17.841 19.000 0.175 0.000 0.818 439 A HN 0.085 nan 8.150 nan 0.000 0.453 440 I N -0.854 119.667 120.570 -0.083 0.000 2.202 440 I HA -0.224 3.944 4.170 -0.003 0.000 0.242 440 I C 2.678 178.814 176.117 0.031 0.000 1.091 440 I CA 1.591 62.813 61.300 -0.131 0.000 1.368 440 I CB -0.279 37.514 38.000 -0.345 0.000 1.058 440 I HN 0.351 nan 8.210 nan 0.000 0.410 441 R N 0.902 121.397 120.500 -0.008 0.000 2.096 441 R HA -0.201 4.137 4.340 -0.003 0.000 0.235 441 R C 2.341 178.667 176.300 0.043 0.000 1.127 441 R CA 1.394 57.503 56.100 0.015 0.000 0.968 441 R CB -0.213 30.078 30.300 -0.014 0.000 0.861 441 R HN 0.194 nan 8.270 nan 0.000 0.440 442 L N 0.609 121.861 121.223 0.050 0.000 2.046 442 L HA -0.055 4.283 4.340 -0.003 0.000 0.208 442 L C 2.247 179.167 176.870 0.084 0.000 1.077 442 L CA 2.079 56.953 54.840 0.058 0.000 0.747 442 L CB -0.593 41.503 42.059 0.061 0.000 0.896 442 L HN 0.270 nan 8.230 nan 0.000 0.432 443 A N -1.060 121.839 122.820 0.131 0.000 2.015 443 A HA -0.028 4.290 4.320 -0.003 0.000 0.219 443 A C 2.365 180.020 177.584 0.119 0.000 1.163 443 A CA 1.462 53.588 52.037 0.149 0.000 0.646 443 A CB -0.830 18.331 19.000 0.268 0.000 0.806 443 A HN 0.504 nan 8.150 nan 0.000 0.448 444 A N -0.710 122.179 122.820 0.115 0.000 1.970 444 A HA 0.357 4.675 4.320 -0.003 0.000 0.216 444 A C 1.246 178.871 177.584 0.068 0.000 1.170 444 A CA 0.251 52.344 52.037 0.094 0.000 0.645 444 A CB -0.295 18.760 19.000 0.091 0.000 0.816 444 A HN 0.437 nan 8.150 nan 0.000 0.447 448 V N 2.899 122.829 119.914 0.027 0.000 2.470 448 V HA 0.252 4.370 4.120 -0.003 0.000 0.276 448 V C -1.271 174.815 176.094 -0.013 0.000 1.040 448 V CA -1.086 61.222 62.300 0.013 0.000 1.008 448 V CB 1.283 33.123 31.823 0.028 0.000 0.990 448 V HN 0.198 nan 8.190 nan 0.000 0.477 449 P HA 0.064 nan 4.420 nan 0.000 0.238 449 P C 0.240 177.468 177.300 -0.120 0.000 1.714 449 P CA -0.143 62.914 63.100 -0.071 0.000 0.908 449 P CB -0.447 31.218 31.700 -0.058 0.000 1.893 450 T N 0.293 114.733 114.554 -0.189 0.000 2.919 450 T HA 0.164 4.513 4.350 -0.003 0.000 0.302 450 T C 0.548 174.893 174.700 -0.592 0.000 1.031 450 T CA 0.082 61.940 62.100 -0.404 0.000 1.127 450 T CB 0.929 69.447 68.868 -0.585 0.000 0.952 450 T HN -0.075 nan 8.240 nan 0.000 0.540 451 V N 4.625 124.242 119.914 -0.496 0.000 2.328 451 V HA 0.369 4.487 4.120 -0.003 0.000 0.278 451 V C -0.693 175.126 176.094 -0.459 0.000 1.021 451 V CA -0.739 61.330 62.300 -0.385 0.000 0.838 451 V CB 0.119 31.874 31.823 -0.114 0.000 0.999 451 V HN 0.708 nan 8.190 nan 0.000 0.447 452 F N 4.170 124.014 119.950 -0.176 0.000 2.391 452 F HA 0.511 5.037 4.527 -0.002 0.000 0.359 452 F C 0.246 175.631 175.800 -0.691 0.000 1.122 452 F CA -0.793 56.952 58.000 -0.426 0.000 1.120 452 F CB 1.379 40.120 39.000 -0.432 0.000 1.142 452 F HN 0.161 nan 8.300 nan 0.000 0.483 453 V N 4.923 124.587 119.914 -0.416 0.000 2.394 453 V HA 0.380 4.499 4.120 -0.003 0.000 0.282 453 V C -0.583 175.267 176.094 -0.407 0.000 1.031 453 V CA -0.692 61.417 62.300 -0.319 0.000 0.881 453 V CB 0.804 32.633 31.823 0.010 0.000 0.982 453 V HN 0.408 nan 8.190 nan 0.000 0.451 454 F N 2.755 122.786 119.950 0.134 0.000 2.493 454 F HA 0.655 5.181 4.527 -0.002 0.000 0.329 454 F C 0.652 176.547 175.800 0.158 0.000 1.126 454 F CA -0.655 57.430 58.000 0.141 0.000 0.937 454 F CB 2.074 41.131 39.000 0.096 0.000 1.146 454 F HN 0.583 nan 8.300 nan 0.000 0.442 455 T N -2.093 112.719 114.554 0.431 0.000 2.870 455 T HA 0.429 4.777 4.350 -0.003 0.000 0.277 455 T C -0.582 174.371 174.700 0.421 0.000 1.000 455 T CA -0.724 61.624 62.100 0.413 0.000 0.982 455 T CB 0.621 69.811 68.868 0.537 0.000 1.249 455 T HN 0.627 nan 8.240 nan 0.000 0.589 456 H N 0.645 119.720 119.070 0.008 0.000 2.604 456 H HA -0.092 4.462 4.556 -0.003 0.000 0.321 456 H C 0.605 175.833 175.328 -0.166 0.000 1.132 456 H CA 0.857 56.794 56.048 -0.185 0.000 1.129 456 H CB -1.814 27.638 29.762 -0.517 0.000 1.526 456 H HN 0.816 nan 8.280 nan 0.000 0.415 457 D N -1.036 119.351 120.400 -0.023 0.000 2.392 457 D HA -0.014 4.624 4.640 -0.003 0.000 0.228 457 D C 0.845 177.100 176.300 -0.076 0.000 1.003 457 D CA 0.905 54.882 54.000 -0.039 0.000 0.917 457 D CB 0.244 41.043 40.800 -0.001 0.000 0.890 457 D HN 0.541 nan 8.370 nan 0.000 0.532 458 S N -1.048 114.590 115.700 -0.103 0.000 2.703 458 S HA 0.290 4.758 4.470 -0.003 0.000 0.273 458 S C 1.085 175.642 174.600 -0.071 0.000 1.178 458 S CA -0.473 57.677 58.200 -0.083 0.000 0.838 458 S CB -0.059 63.090 63.200 -0.085 0.000 1.178 458 S HN 0.045 nan 8.310 nan 0.000 0.494 459 I N -0.671 119.889 120.570 -0.016 0.000 2.657 459 I HA 0.073 4.241 4.170 -0.003 0.000 0.261 459 I C 2.247 178.392 176.117 0.046 0.000 1.212 459 I CA 1.474 62.796 61.300 0.037 0.000 1.453 459 I CB -1.000 37.056 38.000 0.094 0.000 1.092 459 I HN 0.666 nan 8.210 nan 0.000 0.452 460 A N 2.746 125.563 122.820 -0.005 0.000 2.070 460 A HA -0.119 4.200 4.320 -0.003 0.000 0.220 460 A C 2.257 179.689 177.584 -0.253 0.000 1.159 460 A CA 1.823 53.777 52.037 -0.140 0.000 0.656 460 A CB -0.821 17.897 19.000 -0.470 0.000 0.800 460 A HN 0.665 nan 8.150 nan 0.000 0.453 461 L N -2.760 118.334 121.223 -0.215 0.000 2.189 461 L HA 0.218 4.557 4.340 -0.003 0.000 0.214 461 L C 1.420 178.212 176.870 -0.130 0.000 1.097 461 L CA 1.306 56.005 54.840 -0.236 0.000 0.764 461 L CB -1.713 40.237 42.059 -0.182 0.000 0.900 461 L HN 0.936 nan 8.230 nan 0.000 0.436 462 G N -0.588 108.186 108.800 -0.043 0.000 2.513 462 G HA2 -0.304 3.654 3.960 -0.003 0.000 0.227 462 G HA3 -0.304 3.654 3.960 -0.003 0.000 0.227 462 G C 0.419 175.322 174.900 0.005 0.000 1.176 462 G CA 0.153 45.263 45.100 0.016 0.000 0.967 462 G HN 0.334 nan 8.290 nan 0.000 0.587 463 E N 0.752 120.953 120.200 0.002 0.000 2.233 463 E HA -0.069 4.279 4.350 -0.003 0.000 0.199 463 E C 1.820 178.395 176.600 -0.042 0.000 1.004 463 E CA 1.489 57.884 56.400 -0.008 0.000 0.819 463 E CB -0.137 29.560 29.700 -0.004 0.000 0.738 463 E HN 0.451 nan 8.360 nan 0.000 0.478 464 D N -0.234 120.113 120.400 -0.088 0.000 2.221 464 D HA -0.032 4.606 4.640 -0.003 0.000 0.204 464 D C 1.075 177.300 176.300 -0.124 0.000 0.982 464 D CA 1.443 55.328 54.000 -0.191 0.000 0.857 464 D CB -0.243 40.340 40.800 -0.362 0.000 0.934 464 D HN 0.273 nan 8.370 nan 0.000 0.475 465 G N -0.240 108.538 108.800 -0.037 0.000 2.631 465 G HA2 -0.178 3.780 3.960 -0.003 0.000 0.504 465 G HA3 -0.178 3.780 3.960 -0.003 0.000 0.504 465 G C -1.925 173.013 174.900 0.064 0.000 1.306 465 G CA -0.205 44.907 45.100 0.020 0.000 0.897 465 G HN -0.053 nan 8.290 nan 0.000 0.520 466 P HA -0.179 nan 4.420 nan 0.000 0.217 466 P C 1.864 179.199 177.300 0.058 0.000 1.148 466 P CA 3.032 66.184 63.100 0.088 0.000 0.828 466 P CB -0.381 31.366 31.700 0.078 0.000 0.783 467 T N -4.792 109.818 114.554 0.094 0.000 2.995 467 T HA -0.096 4.253 4.350 -0.003 0.000 0.269 467 T C 1.424 176.185 174.700 0.102 0.000 1.091 467 T CA 1.120 63.287 62.100 0.111 0.000 1.128 467 T CB -0.973 68.016 68.868 0.202 0.000 0.891 467 T HN 0.184 nan 8.240 nan 0.000 0.492 468 H N 0.593 119.633 119.070 -0.050 0.000 2.740 468 H HA 0.401 4.956 4.556 -0.003 0.000 0.265 468 H C 0.430 175.613 175.328 -0.242 0.000 0.978 468 H CA -0.221 55.714 56.048 -0.188 0.000 1.198 468 H CB 0.245 29.894 29.762 -0.189 0.000 1.467 468 H HN 0.476 nan 8.280 nan 0.000 0.511 469 Q N 1.918 121.710 119.800 -0.013 0.000 2.314 469 Q HA 0.240 4.578 4.340 -0.003 0.000 0.257 469 Q C -2.475 173.500 176.000 -0.041 0.000 0.975 469 Q CA -2.128 53.653 55.803 -0.036 0.000 0.933 469 Q CB 1.280 30.039 28.738 0.035 0.000 1.195 469 Q HN 0.129 nan 8.270 nan 0.000 0.426 470 P HA -0.018 nan 4.420 nan 0.000 0.271 470 P C -0.349 177.012 177.300 0.102 0.000 1.218 470 P CA 0.017 63.015 63.100 -0.170 0.000 0.780 470 P CB 1.099 32.622 31.700 -0.294 0.000 0.901 471 V N 1.402 121.499 119.914 0.305 0.000 3.837 471 V HA 0.005 4.124 4.120 -0.003 0.000 0.182 471 V C 1.834 178.016 176.094 0.147 0.000 1.356 471 V CA 0.432 62.844 62.300 0.186 0.000 1.260 471 V CB -0.436 31.471 31.823 0.140 0.000 1.287 471 V HN 0.539 nan 8.190 nan 0.000 0.572 472 E N 0.389 120.657 120.200 0.115 0.000 2.385 472 E HA -0.143 4.206 4.350 -0.003 0.000 0.194 472 E C 1.666 178.209 176.600 -0.094 0.000 1.013 472 E CA 1.012 57.390 56.400 -0.037 0.000 0.866 472 E CB -0.350 29.278 29.700 -0.119 0.000 0.832 472 E HN 0.743 nan 8.360 nan 0.000 0.500 473 H N 1.816 120.852 119.070 -0.056 0.000 2.321 473 H HA -0.033 4.522 4.556 -0.003 0.000 0.295 473 H C 1.308 176.562 175.328 -0.123 0.000 1.102 473 H CA 1.272 57.255 56.048 -0.108 0.000 1.266 473 H CB -0.493 29.183 29.762 -0.144 0.000 1.363 473 H HN 0.054 nan 8.280 nan 0.000 0.492 477 L N 1.201 122.360 121.223 -0.106 0.000 2.202 477 L HA 0.332 4.670 4.340 -0.003 0.000 0.205 477 L C 2.782 179.614 176.870 -0.063 0.000 1.083 477 L CA 0.738 55.535 54.840 -0.072 0.000 0.790 477 L CB -0.329 41.699 42.059 -0.052 0.000 0.942 477 L HN 0.226 nan 8.230 nan 0.000 0.452 478 R N 0.458 120.885 120.500 -0.122 0.000 2.148 478 R HA 0.023 4.361 4.340 -0.003 0.000 0.227 478 R C 1.162 177.413 176.300 -0.083 0.000 1.103 478 R CA 0.597 56.611 56.100 -0.143 0.000 0.983 478 R CB -0.231 29.872 30.300 -0.328 0.000 0.874 478 R HN 0.282 nan 8.270 nan 0.000 0.451 482 N N 1.029 119.803 118.700 0.122 0.000 2.688 482 N HA -0.154 4.584 4.740 -0.003 0.000 0.258 482 N C -1.071 174.540 175.510 0.167 0.000 1.016 482 N CA 0.243 53.378 53.050 0.143 0.000 0.747 482 N CB -0.332 38.211 38.487 0.093 0.000 0.895 482 N HN 0.403 nan 8.380 nan 0.000 0.543 483 L N 2.237 123.605 121.223 0.242 0.000 2.562 483 L HA 0.451 4.789 4.340 -0.003 0.000 0.266 483 L C -1.192 175.918 176.870 0.400 0.000 0.949 483 L CA -0.386 54.612 54.840 0.264 0.000 0.879 483 L CB 1.230 43.398 42.059 0.181 0.000 1.278 483 L HN 0.048 nan 8.230 nan 0.000 0.404 484 F N 4.025 124.022 119.950 0.078 0.000 2.396 484 F HA 0.496 5.022 4.527 -0.002 0.000 0.343 484 F C 0.427 176.270 175.800 0.071 0.000 1.104 484 F CA -0.857 57.186 58.000 0.072 0.000 1.161 484 F CB 1.989 41.024 39.000 0.057 0.000 1.146 484 F HN 0.179 nan 8.300 nan 0.000 0.522 485 V N 5.864 125.870 119.914 0.154 0.000 2.376 485 V HA 0.359 4.477 4.120 -0.003 0.000 0.287 485 V C -0.172 175.970 176.094 0.080 0.000 1.015 485 V CA -0.578 61.783 62.300 0.100 0.000 0.834 485 V CB 1.349 33.176 31.823 0.006 0.000 1.001 485 V HN 0.498 nan 8.190 nan 0.000 0.428 486 I N 4.804 125.430 120.570 0.093 0.000 2.362 486 I HA 0.576 4.745 4.170 -0.003 0.000 0.289 486 I C 0.172 176.329 176.117 0.067 0.000 0.994 486 I CA -0.574 60.774 61.300 0.080 0.000 1.158 486 I CB 1.723 39.763 38.000 0.066 0.000 1.315 486 I HN 0.490 nan 8.210 nan 0.000 0.451 487 R N 8.196 128.747 120.500 0.085 0.000 2.477 487 R HA 0.359 4.698 4.340 -0.003 0.000 0.285 487 R C -2.526 173.831 176.300 0.096 0.000 1.415 487 R CA -1.691 54.459 56.100 0.084 0.000 1.446 487 R CB 0.884 31.240 30.300 0.093 0.000 1.110 487 R HN 0.304 nan 8.270 nan 0.000 0.590 488 P HA -0.066 nan 4.420 nan 0.000 0.262 488 P C 0.138 177.506 177.300 0.114 0.000 1.182 488 P CA 0.400 63.569 63.100 0.115 0.000 0.761 488 P CB 1.463 33.224 31.700 0.101 0.000 0.795 489 A N 3.443 126.349 122.820 0.143 0.000 2.066 489 A HA -0.037 4.282 4.320 -0.003 0.000 0.218 489 A C 0.897 178.615 177.584 0.224 0.000 1.157 489 A CA 1.369 53.498 52.037 0.153 0.000 0.670 489 A CB -0.410 18.645 19.000 0.093 0.000 0.804 489 A HN 0.741 nan 8.150 nan 0.000 0.453 490 D N -4.598 115.899 120.400 0.161 0.000 2.851 490 D HA 0.379 5.017 4.640 -0.003 0.000 0.339 490 D C 0.795 177.054 176.300 -0.068 0.000 1.347 490 D CA 0.099 54.145 54.000 0.075 0.000 0.888 490 D CB 0.635 41.538 40.800 0.172 0.000 1.431 490 D HN 0.086 nan 8.370 nan 0.000 0.509 491 A N -0.495 122.116 122.820 -0.349 0.000 1.917 491 A HA -0.174 4.145 4.320 -0.003 0.000 0.219 491 A C 1.883 179.227 177.584 -0.401 0.000 1.182 491 A CA 1.718 53.331 52.037 -0.707 0.000 0.633 491 A CB -1.201 16.737 19.000 -1.771 0.000 0.819 491 A HN 0.532 nan 8.150 nan 0.000 0.448 492 Y N -0.577 119.713 120.300 -0.016 0.000 2.220 492 Y HA -0.057 4.491 4.550 -0.003 0.000 0.291 492 Y C 2.417 178.496 175.900 0.298 0.000 1.129 492 Y CA 1.136 59.357 58.100 0.202 0.000 1.161 492 Y CB -0.598 38.008 38.460 0.243 0.000 0.997 492 Y HN 0.387 nan 8.280 nan 0.000 0.522 493 E N -0.471 119.976 120.200 0.412 0.000 2.153 493 E HA -0.164 4.184 4.350 -0.003 0.000 0.194 493 E C 1.876 178.658 176.600 0.303 0.000 0.988 493 E CA 1.577 58.211 56.400 0.389 0.000 0.811 493 E CB -0.037 29.842 29.700 0.298 0.000 0.746 493 E HN 0.446 nan 8.360 nan 0.000 0.466 494 T N 0.814 115.503 114.554 0.226 0.000 2.746 494 T HA -0.181 4.168 4.350 -0.003 0.000 0.267 494 T C 1.404 176.288 174.700 0.307 0.000 1.039 494 T CA 1.122 63.346 62.100 0.207 0.000 1.142 494 T CB -0.388 68.580 68.868 0.166 0.000 0.866 494 T HN 0.209 nan 8.240 nan 0.000 0.444 495 F N 1.564 121.607 119.950 0.155 0.000 2.046 495 F HA -0.184 4.341 4.527 -0.003 0.000 0.297 495 F C 1.988 177.822 175.800 0.057 0.000 1.123 495 F CA 1.106 59.151 58.000 0.075 0.000 1.199 495 F CB -0.891 38.037 39.000 -0.120 0.000 0.972 495 F HN 0.148 nan 8.300 nan 0.000 0.474 496 Y N 0.561 120.861 120.300 -0.000 0.000 2.256 496 Y HA -0.112 4.436 4.550 -0.003 0.000 0.288 496 Y C 2.661 178.520 175.900 -0.069 0.000 1.155 496 Y CA 1.113 59.125 58.100 -0.146 0.000 1.203 496 Y CB -1.547 36.929 38.460 0.027 0.000 0.980 496 Y HN 0.209 nan 8.280 nan 0.000 0.530 497 A N -0.787 122.120 122.820 0.144 0.000 1.908 497 A HA -0.234 4.084 4.320 -0.003 0.000 0.218 497 A C 2.011 179.563 177.584 -0.053 0.000 1.181 497 A CA 1.649 53.714 52.037 0.047 0.000 0.627 497 A CB -1.322 17.684 19.000 0.009 0.000 0.818 497 A HN 0.666 nan 8.150 nan 0.000 0.445 498 W N -0.037 121.219 121.300 -0.073 0.000 2.388 498 W HA -0.057 4.601 4.660 -0.003 0.000 0.294 498 W C 2.118 178.547 176.519 -0.151 0.000 1.212 498 W CA 1.086 58.361 57.345 -0.118 0.000 1.271 498 W CB -0.178 29.204 29.460 -0.130 0.000 1.126 498 W HN 0.236 nan 8.180 nan 0.000 0.535 499 L N -0.855 120.365 121.223 -0.006 0.000 1.994 499 L HA -0.236 4.102 4.340 -0.003 0.000 0.208 499 L C 2.415 179.293 176.870 0.012 0.000 1.071 499 L CA 1.328 56.131 54.840 -0.062 0.000 0.745 499 L CB -1.500 40.447 42.059 -0.187 0.000 0.892 499 L HN -0.098 nan 8.230 nan 0.000 0.431 500 V N -0.004 119.930 119.914 0.033 0.000 2.332 500 V HA -0.295 3.823 4.120 -0.003 0.000 0.248 500 V C 2.550 178.654 176.094 0.017 0.000 1.055 500 V CA 2.038 64.370 62.300 0.052 0.000 1.038 500 V CB -0.232 31.658 31.823 0.112 0.000 0.651 500 V HN 0.426 nan 8.190 nan 0.000 0.450 501 A N -0.288 122.527 122.820 -0.008 0.000 1.898 501 A HA -0.077 4.241 4.320 -0.003 0.000 0.216 501 A C 2.007 179.580 177.584 -0.018 0.000 1.181 501 A CA 1.825 53.825 52.037 -0.061 0.000 0.620 501 A CB -0.694 18.197 19.000 -0.182 0.000 0.819 501 A HN 0.575 nan 8.150 nan 0.000 0.442 502 L N -1.187 120.073 121.223 0.062 0.000 2.675 502 L HA 0.166 4.504 4.340 -0.003 0.000 0.238 502 L C 1.838 178.733 176.870 0.042 0.000 1.155 502 L CA 1.233 56.133 54.840 0.100 0.000 0.881 502 L CB -0.508 41.653 42.059 0.169 0.000 1.008 502 L HN 0.402 nan 8.230 nan 0.000 0.443 503 R N -1.254 119.251 120.500 0.009 0.000 2.412 503 R HA 0.210 4.548 4.340 -0.003 0.000 0.212 503 R C 0.884 177.162 176.300 -0.037 0.000 0.878 503 R CA -0.228 55.870 56.100 -0.004 0.000 1.022 503 R CB 0.206 30.509 30.300 0.005 0.000 1.265 503 R HN 0.174 nan 8.270 nan 0.000 0.620 504 R N 1.145 121.597 120.500 -0.079 0.000 2.442 504 R HA 0.052 4.390 4.340 -0.003 0.000 0.291 504 R C -0.279 175.943 176.300 -0.129 0.000 1.069 504 R CA 0.346 56.349 56.100 -0.162 0.000 1.022 504 R CB 0.554 30.662 30.300 -0.320 0.000 0.976 504 R HN -0.054 nan 8.270 nan 0.000 0.443 505 K N 3.227 123.558 120.400 -0.115 0.000 2.477 505 K HA 0.047 4.365 4.320 -0.003 0.000 0.208 505 K C 0.685 177.239 176.600 -0.077 0.000 1.117 505 K CA 0.108 56.350 56.287 -0.076 0.000 1.039 505 K CB 1.006 33.481 32.500 -0.043 0.000 0.937 505 K HN 0.555 nan 8.250 nan 0.000 0.570 506 E N 1.017 121.151 120.200 -0.111 0.000 2.107 506 E HA -0.004 4.345 4.350 -0.003 0.000 0.191 506 E C 1.059 177.620 176.600 -0.065 0.000 0.982 506 E CA 0.909 57.261 56.400 -0.081 0.000 0.809 506 E CB 0.166 29.812 29.700 -0.091 0.000 0.756 506 E HN 0.327 nan 8.360 nan 0.000 0.459 507 G N -0.621 108.116 108.800 -0.104 0.000 2.606 507 G HA2 0.383 4.341 3.960 -0.003 0.000 0.300 507 G HA3 0.383 4.341 3.960 -0.003 0.000 0.300 507 G C -2.931 171.933 174.900 -0.060 0.000 1.360 507 G CA -1.158 43.914 45.100 -0.046 0.000 0.783 507 G HN -0.205 nan 8.290 nan 0.000 0.484 508 P HA 0.330 nan 4.420 nan 0.000 0.271 508 P C -0.555 176.776 177.300 0.053 0.000 1.233 508 P CA 0.336 63.455 63.100 0.031 0.000 0.789 508 P CB 1.076 32.914 31.700 0.230 0.000 0.951 509 T N 0.192 114.761 114.554 0.025 0.000 2.916 509 T HA 0.581 4.929 4.350 -0.003 0.000 0.298 509 T C -0.805 173.958 174.700 0.105 0.000 1.031 509 T CA -0.342 61.800 62.100 0.069 0.000 0.993 509 T CB 1.526 70.370 68.868 -0.041 0.000 1.045 509 T HN 0.449 nan 8.240 nan 0.000 0.454 510 A N 3.642 126.573 122.820 0.184 0.000 2.285 510 A HA 0.735 5.054 4.320 -0.003 0.000 0.310 510 A C -0.468 177.174 177.584 0.097 0.000 1.266 510 A CA -0.634 51.535 52.037 0.219 0.000 0.832 510 A CB 0.179 19.443 19.000 0.439 0.000 1.163 510 A HN 0.826 nan 8.150 nan 0.000 0.499 511 L N 3.153 124.335 121.223 -0.068 0.000 2.265 511 L HA 0.384 4.723 4.340 -0.003 0.000 0.288 511 L C -0.555 176.334 176.870 0.032 0.000 1.058 511 L CA -0.674 54.090 54.840 -0.126 0.000 0.809 511 L CB 1.404 43.209 42.059 -0.423 0.000 1.179 511 L HN 0.395 nan 8.230 nan 0.000 0.429 512 V N 5.831 125.794 119.914 0.081 0.000 2.318 512 V HA 0.366 4.485 4.120 -0.003 0.000 0.271 512 V C 0.282 176.425 176.094 0.083 0.000 1.030 512 V CA -0.286 62.094 62.300 0.135 0.000 0.844 512 V CB 1.071 32.966 31.823 0.120 0.000 1.015 512 V HN 0.537 nan 8.190 nan 0.000 0.460 513 L N 4.021 125.304 121.223 0.099 0.000 2.334 513 L HA 0.715 5.053 4.340 -0.003 0.000 0.270 513 L C 0.749 177.636 176.870 0.028 0.000 1.018 513 L CA -0.526 54.352 54.840 0.065 0.000 0.811 513 L CB 2.113 44.229 42.059 0.094 0.000 1.271 513 L HN 0.671 nan 8.230 nan 0.000 0.443 514 T N -2.599 111.929 114.554 -0.043 0.000 2.934 514 T HA 0.326 4.675 4.350 -0.003 0.000 0.283 514 T C 0.636 175.203 174.700 -0.221 0.000 1.005 514 T CA -0.636 61.376 62.100 -0.146 0.000 1.041 514 T CB 2.019 70.767 68.868 -0.200 0.000 1.042 514 T HN 0.731 nan 8.240 nan 0.000 0.505 515 R N 0.607 120.865 120.500 -0.402 0.000 2.105 515 R HA 0.056 4.394 4.340 -0.003 0.000 0.214 515 R C 0.886 176.940 176.300 -0.410 0.000 1.091 515 R CA 0.114 55.861 56.100 -0.588 0.000 1.007 515 R CB 0.007 29.695 30.300 -1.021 0.000 0.912 515 R HN 0.821 nan 8.270 nan 0.000 0.450 516 Q N 1.225 120.745 119.800 -0.467 0.000 2.299 516 Q HA 0.318 4.657 4.340 -0.003 0.000 0.246 516 Q C -1.057 174.729 176.000 -0.356 0.000 0.935 516 Q CA -0.063 55.454 55.803 -0.477 0.000 0.887 516 Q CB 1.297 29.474 28.738 -0.935 0.000 1.223 516 Q HN 0.223 nan 8.270 nan 0.000 0.439 517 A N 2.261 124.933 122.820 -0.248 0.000 2.462 517 A HA 0.468 4.787 4.320 -0.003 0.000 0.243 517 A C 0.166 177.614 177.584 -0.228 0.000 1.076 517 A CA -0.022 51.899 52.037 -0.193 0.000 0.773 517 A CB 0.165 19.092 19.000 -0.121 0.000 1.010 517 A HN 0.940 nan 8.150 nan 0.000 0.493 518 V N -0.104 119.653 119.914 -0.262 0.000 2.823 518 V HA 0.724 4.843 4.120 -0.003 0.000 0.312 518 V C -2.965 172.892 176.094 -0.396 0.000 1.072 518 V CA -2.694 59.372 62.300 -0.390 0.000 0.937 518 V CB 1.512 33.057 31.823 -0.464 0.000 1.013 518 V HN 0.690 nan 8.190 nan 0.000 0.430 519 P HA 0.189 nan 4.420 nan 0.000 0.270 519 P C -0.426 176.852 177.300 -0.036 0.000 1.221 519 P CA 0.116 63.101 63.100 -0.191 0.000 0.788 519 P CB 0.326 31.999 31.700 -0.044 0.000 0.904 520 L N 1.031 122.290 121.223 0.061 0.000 2.416 520 L HA 0.382 4.721 4.340 -0.003 0.000 0.262 520 L C 0.848 177.879 176.870 0.268 0.000 1.093 520 L CA -0.468 54.435 54.840 0.106 0.000 0.801 520 L CB 0.221 42.345 42.059 0.109 0.000 1.191 520 L HN 0.294 nan 8.230 nan 0.000 0.459 521 L N -0.734 120.710 121.223 0.369 0.000 2.777 521 L HA 0.513 4.852 4.340 -0.003 0.000 0.241 521 L C -0.274 176.797 176.870 0.336 0.000 1.854 521 L CA -0.602 54.430 54.840 0.320 0.000 2.070 521 L CB 1.577 43.804 42.059 0.280 0.000 2.441 521 L HN 0.483 nan 8.230 nan 0.000 0.587 522 S N -0.273 115.532 115.700 0.175 0.000 2.482 522 S HA 0.328 4.797 4.470 -0.003 0.000 0.303 522 S C -2.112 172.374 174.600 -0.190 0.000 1.091 522 S CA -1.053 57.121 58.200 -0.044 0.000 1.057 522 S CB 2.079 65.281 63.200 0.004 0.000 1.031 522 S HN 0.237 nan 8.310 nan 0.000 0.485 523 P HA -0.188 nan 4.420 nan 0.000 0.213 523 P C 1.529 178.835 177.300 0.010 0.000 1.170 523 P CA 1.037 63.929 63.100 -0.346 0.000 0.902 523 P CB 0.211 31.674 31.700 -0.396 0.000 0.789 524 E N 0.087 120.264 120.200 -0.039 0.000 2.097 524 E HA -0.231 4.117 4.350 -0.003 0.000 0.196 524 E C 1.845 178.422 176.600 -0.039 0.000 1.000 524 E CA 1.700 58.086 56.400 -0.023 0.000 0.804 524 E CB -0.615 29.071 29.700 -0.023 0.000 0.740 524 E HN -0.019 nan 8.360 nan 0.000 0.454 525 K N 0.001 120.404 120.400 0.005 0.000 2.026 525 K HA -0.039 4.279 4.320 -0.003 0.000 0.208 525 K C 2.147 178.767 176.600 0.034 0.000 1.048 525 K CA 1.235 57.560 56.287 0.065 0.000 0.929 525 K CB -0.686 31.892 32.500 0.130 0.000 0.713 525 K HN 0.251 nan 8.250 nan 0.000 0.439 526 A N 1.569 124.455 122.820 0.110 0.000 2.019 526 A HA -0.158 4.160 4.320 -0.003 0.000 0.219 526 A C 2.091 179.589 177.584 -0.143 0.000 1.164 526 A CA 1.104 53.243 52.037 0.171 0.000 0.644 526 A CB -0.474 18.783 19.000 0.429 0.000 0.805 526 A HN 0.232 nan 8.150 nan 0.000 0.449 527 R N -0.110 120.169 120.500 -0.368 0.000 2.355 527 R HA -0.119 4.219 4.340 -0.003 0.000 0.219 527 R C 1.884 177.760 176.300 -0.706 0.000 1.107 527 R CA 0.875 56.435 56.100 -0.899 0.000 1.021 527 R CB -0.562 29.305 30.300 -0.721 0.000 0.852 527 R HN 0.506 nan 8.270 nan 0.000 0.475 528 G N 1.045 109.288 108.800 -0.927 0.000 2.509 528 G HA2 -0.193 3.766 3.960 -0.003 0.000 0.218 528 G HA3 -0.193 3.766 3.960 -0.003 0.000 0.218 528 G C 1.329 175.754 174.900 -0.792 0.000 1.124 528 G CA -0.080 44.244 45.100 -1.295 0.000 0.776 528 G HN 0.287 nan 8.290 nan 0.000 0.547 529 L N 0.484 121.425 121.223 -0.470 0.000 2.127 529 L HA 0.005 4.344 4.340 -0.003 0.000 0.211 529 L C 2.429 179.300 176.870 0.002 0.000 1.089 529 L CA 1.450 56.290 54.840 0.000 0.000 0.757 529 L CB -0.619 41.514 42.059 0.123 0.000 0.899 529 L HN 0.256 nan 8.230 nan 0.000 0.434 530 L N -0.089 121.062 121.223 -0.120 0.000 2.349 530 L HA -0.164 4.174 4.340 -0.003 0.000 0.220 530 L C 2.220 179.075 176.870 -0.024 0.000 1.130 530 L CA 0.672 55.474 54.840 -0.065 0.000 0.791 530 L CB -0.523 41.451 42.059 -0.143 0.000 0.918 530 L HN 0.279 nan 8.230 nan 0.000 0.444 531 R N -0.185 120.306 120.500 -0.015 0.000 2.334 531 R HA 0.190 4.529 4.340 -0.003 0.000 0.216 531 R C 1.521 177.976 176.300 0.258 0.000 0.905 531 R CA 0.716 56.837 56.100 0.035 0.000 1.064 531 R CB 0.334 30.612 30.300 -0.038 0.000 1.046 531 R HN 0.402 nan 8.270 nan 0.000 0.508 532 G N 0.356 109.294 108.800 0.230 0.000 2.609 532 G HA2 -0.289 3.669 3.960 -0.003 0.000 0.235 532 G HA3 -0.289 3.669 3.960 -0.003 0.000 0.235 532 G C 0.416 175.468 174.900 0.252 0.000 1.177 532 G CA 0.283 45.538 45.100 0.258 0.000 0.707 532 G HN 0.687 nan 8.290 nan 0.000 0.513 533 G N -0.873 108.157 108.800 0.383 0.000 2.746 533 G HA2 0.863 4.821 3.960 -0.003 0.000 0.297 533 G HA3 0.863 4.821 3.960 -0.003 0.000 0.297 533 G C -0.989 174.108 174.900 0.327 0.000 1.426 533 G CA 0.235 45.316 45.100 -0.033 0.000 0.989 533 G HN 1.695 nan 8.290 nan 0.000 0.520 534 Y N -1.010 119.268 120.300 -0.036 0.000 2.689 534 Y HA 0.691 5.239 4.550 -0.003 0.000 0.333 534 Y C -0.990 174.884 175.900 -0.044 0.000 1.208 534 Y CA -1.773 56.359 58.100 0.053 0.000 1.055 534 Y CB 0.885 39.428 38.460 0.139 0.000 1.304 534 Y HN 0.463 nan 8.280 nan 0.000 0.455 535 V N 3.831 123.751 119.914 0.010 0.000 2.405 535 V HA 0.094 4.212 4.120 -0.003 0.000 0.264 535 V C 1.005 177.065 176.094 -0.057 0.000 1.048 535 V CA -0.013 62.231 62.300 -0.093 0.000 0.966 535 V CB 0.554 32.367 31.823 -0.017 0.000 1.015 535 V HN 0.987 nan 8.190 nan 0.000 0.477 536 L N 3.211 124.289 121.223 -0.242 0.000 2.127 536 L HA 0.268 4.607 4.340 -0.003 0.000 0.203 536 L C 0.924 177.776 176.870 -0.030 0.000 1.080 536 L CA 1.113 55.878 54.840 -0.125 0.000 0.768 536 L CB 0.553 42.460 42.059 -0.253 0.000 0.924 536 L HN 0.722 nan 8.230 nan 0.000 0.444 537 E N 0.367 120.524 120.200 -0.072 0.000 2.265 537 E HA 0.218 4.566 4.350 -0.003 0.000 0.262 537 E C -1.335 175.231 176.600 -0.057 0.000 0.889 537 E CA -0.571 55.801 56.400 -0.047 0.000 0.789 537 E CB 1.044 30.709 29.700 -0.057 0.000 1.221 537 E HN 0.082 nan 8.360 nan 0.000 0.414 538 D N 1.940 122.320 120.400 -0.034 0.000 2.432 538 D HA 0.570 5.209 4.640 -0.003 0.000 0.258 538 D C -0.794 175.483 176.300 -0.038 0.000 1.146 538 D CA -0.381 53.596 54.000 -0.037 0.000 1.015 538 D CB 1.565 42.355 40.800 -0.017 0.000 1.107 538 D HN 0.270 nan 8.370 nan 0.000 0.529 539 V N -1.515 118.375 119.914 -0.039 0.000 2.851 539 V HA 0.407 4.525 4.120 -0.003 0.000 0.307 539 V C -0.288 175.791 176.094 -0.024 0.000 1.129 539 V CA -1.070 61.209 62.300 -0.035 0.000 0.932 539 V CB 1.538 33.330 31.823 -0.053 0.000 1.024 539 V HN 0.577 nan 8.190 nan 0.000 0.426 540 E N 2.538 122.730 120.200 -0.015 0.000 2.452 540 E HA 0.081 4.429 4.350 -0.003 0.000 0.261 540 E C 0.061 176.657 176.600 -0.007 0.000 0.987 540 E CA 0.645 57.040 56.400 -0.008 0.000 0.926 540 E CB 0.306 30.003 29.700 -0.004 0.000 0.934 540 E HN 0.904 nan 8.360 nan 0.000 0.452 541 E N 1.998 122.196 120.200 -0.003 0.000 2.197 541 E HA -0.181 4.167 4.350 -0.003 0.000 0.184 541 E C -2.175 174.426 176.600 0.001 0.000 1.439 541 E CA 0.101 56.501 56.400 0.001 0.000 0.688 541 E CB -1.098 28.604 29.700 0.004 0.000 1.090 541 E HN 0.463 nan 8.360 nan 0.000 0.341 542 P HA -0.138 nan 4.420 nan 0.000 0.265 542 P C -0.020 177.291 177.300 0.018 0.000 1.193 542 P CA 0.605 63.697 63.100 -0.013 0.000 0.765 542 P CB 0.802 32.484 31.700 -0.030 0.000 0.823 543 Q N 1.205 121.032 119.800 0.044 0.000 2.402 543 Q HA 0.244 4.582 4.340 -0.003 0.000 0.206 543 Q C 1.078 177.222 176.000 0.240 0.000 0.919 543 Q CA 0.501 56.383 55.803 0.132 0.000 0.923 543 Q CB 0.419 29.274 28.738 0.196 0.000 1.048 543 Q HN 0.736 nan 8.270 nan 0.000 0.515 544 G N -0.717 108.158 108.800 0.125 0.000 2.490 544 G HA2 0.462 4.421 3.960 -0.003 0.000 0.308 544 G HA3 0.462 4.421 3.960 -0.003 0.000 0.308 544 G C -1.823 173.011 174.900 -0.109 0.000 1.286 544 G CA -0.581 44.607 45.100 0.148 0.000 0.825 544 G HN -0.078 nan 8.290 nan 0.000 0.479 545 V N 0.071 119.931 119.914 -0.089 0.000 2.971 545 V HA 0.604 4.722 4.120 -0.003 0.000 0.309 545 V C -0.666 175.335 176.094 -0.154 0.000 1.130 545 V CA -0.625 61.591 62.300 -0.140 0.000 0.964 545 V CB 1.981 33.769 31.823 -0.057 0.000 1.029 545 V HN 0.666 nan 8.190 nan 0.000 0.427 546 L N 3.841 124.947 121.223 -0.194 0.000 2.318 546 L HA 0.599 4.937 4.340 -0.003 0.000 0.277 546 L C -0.589 176.182 176.870 -0.165 0.000 1.008 546 L CA -0.616 54.121 54.840 -0.171 0.000 0.846 546 L CB 1.731 43.673 42.059 -0.195 0.000 1.220 546 L HN 0.476 nan 8.230 nan 0.000 0.423 547 V N 3.677 123.496 119.914 -0.158 0.000 2.427 547 V HA 0.902 5.020 4.120 -0.003 0.000 0.286 547 V C -0.022 175.954 176.094 -0.197 0.000 1.034 547 V CA 0.003 62.195 62.300 -0.179 0.000 0.893 547 V CB 1.510 33.243 31.823 -0.150 0.000 0.982 547 V HN 0.869 nan 8.190 nan 0.000 0.452 548 A N 4.523 127.261 122.820 -0.136 0.000 2.564 548 A HA 0.995 5.314 4.320 -0.003 0.000 0.288 548 A C -0.307 177.305 177.584 0.047 0.000 1.164 548 A CA -0.089 51.907 52.037 -0.068 0.000 0.712 548 A CB 2.205 21.168 19.000 -0.061 0.000 1.303 548 A HN 1.277 nan 8.150 nan 0.000 0.418 549 T N -2.624 112.006 114.554 0.127 0.000 2.896 549 T HA 0.695 5.043 4.350 -0.003 0.000 0.297 549 T C 0.873 175.646 174.700 0.122 0.000 1.108 549 T CA 0.572 62.769 62.100 0.162 0.000 1.004 549 T CB 0.979 70.022 68.868 0.292 0.000 1.159 549 T HN 2.651 nan 8.240 nan 0.000 0.499 550 G N 2.349 111.215 108.800 0.111 0.000 2.661 550 G HA2 -0.389 3.570 3.960 -0.003 0.000 0.327 550 G HA3 -0.389 3.570 3.960 -0.003 0.000 0.327 550 G C 1.425 176.396 174.900 0.118 0.000 1.320 550 G CA 2.344 47.503 45.100 0.099 0.000 0.997 550 G HN 2.152 nan 8.290 nan 0.000 0.543 551 S N -0.294 115.457 115.700 0.085 0.000 2.387 551 S HA -0.164 4.305 4.470 -0.003 0.000 0.230 551 S C 1.879 176.585 174.600 0.176 0.000 1.035 551 S CA 2.405 60.659 58.200 0.090 0.000 1.014 551 S CB -0.350 62.817 63.200 -0.055 0.000 0.836 551 S HN 0.678 nan 8.310 nan 0.000 0.466 552 E N 1.045 121.336 120.200 0.152 0.000 2.338 552 E HA 0.057 4.406 4.350 -0.003 0.000 0.197 552 E C 1.918 178.589 176.600 0.117 0.000 1.007 552 E CA 0.532 57.039 56.400 0.178 0.000 0.849 552 E CB -0.629 29.156 29.700 0.143 0.000 0.774 552 E HN 0.465 nan 8.360 nan 0.000 0.506 553 V N 1.018 120.971 119.914 0.066 0.000 2.392 553 V HA -0.293 3.826 4.120 -0.003 0.000 0.249 553 V C 1.938 177.957 176.094 -0.125 0.000 1.059 553 V CA 1.847 64.106 62.300 -0.068 0.000 1.051 553 V CB -0.538 31.200 31.823 -0.143 0.000 0.658 553 V HN 0.468 nan 8.190 nan 0.000 0.455 554 H N -0.986 118.103 119.070 0.032 0.000 2.395 554 H HA -0.025 4.530 4.556 -0.003 0.000 0.299 554 H C 2.333 177.695 175.328 0.056 0.000 1.070 554 H CA 1.584 57.654 56.048 0.037 0.000 1.356 554 H CB 0.059 29.841 29.762 0.034 0.000 1.401 554 H HN 0.340 nan 8.280 nan 0.000 0.524 555 L N 0.619 121.966 121.223 0.207 0.000 2.093 555 L HA -0.122 4.216 4.340 -0.003 0.000 0.208 555 L C 2.638 179.560 176.870 0.088 0.000 1.085 555 L CA 1.043 55.995 54.840 0.187 0.000 0.755 555 L CB -0.372 41.852 42.059 0.273 0.000 0.904 555 L HN 0.176 nan 8.230 nan 0.000 0.435 556 A N 0.137 122.980 122.820 0.038 0.000 1.902 556 A HA -0.203 4.115 4.320 -0.003 0.000 0.217 556 A C 2.140 179.697 177.584 -0.045 0.000 1.181 556 A CA 1.568 53.588 52.037 -0.029 0.000 0.623 556 A CB -0.713 18.243 19.000 -0.073 0.000 0.818 556 A HN 0.476 nan 8.150 nan 0.000 0.443 557 L N -0.876 120.322 121.223 -0.042 0.000 1.989 557 L HA -0.212 4.126 4.340 -0.003 0.000 0.211 557 L C 2.766 179.627 176.870 -0.014 0.000 1.071 557 L CA 1.642 56.457 54.840 -0.042 0.000 0.749 557 L CB -0.607 41.428 42.059 -0.041 0.000 0.890 557 L HN 0.367 nan 8.230 nan 0.000 0.431 558 R N 0.060 120.573 120.500 0.021 0.000 2.241 558 R HA -0.095 4.244 4.340 -0.003 0.000 0.224 558 R C 2.200 178.506 176.300 0.010 0.000 1.101 558 R CA 1.076 57.193 56.100 0.028 0.000 0.995 558 R CB -0.387 29.947 30.300 0.056 0.000 0.870 558 R HN 0.383 nan 8.270 nan 0.000 0.463 559 A N 1.798 124.616 122.820 -0.003 0.000 1.935 559 A HA -0.172 4.147 4.320 -0.003 0.000 0.214 559 A C 2.224 179.781 177.584 -0.045 0.000 1.178 559 A CA 0.806 52.832 52.037 -0.019 0.000 0.640 559 A CB -0.192 18.792 19.000 -0.027 0.000 0.825 559 A HN 0.442 nan 8.150 nan 0.000 0.447 560 Q N -0.493 119.266 119.800 -0.068 0.000 2.083 560 Q HA 0.072 4.410 4.340 -0.003 0.000 0.198 560 Q C 2.005 177.970 176.000 -0.058 0.000 0.969 560 Q CA 1.489 57.235 55.803 -0.095 0.000 0.838 560 Q CB -0.533 28.136 28.738 -0.115 0.000 0.900 560 Q HN 0.399 nan 8.270 nan 0.000 0.436 561 A N 1.587 124.386 122.820 -0.035 0.000 1.933 561 A HA -0.112 4.206 4.320 -0.003 0.000 0.218 561 A C 2.129 179.706 177.584 -0.012 0.000 1.175 561 A CA 1.197 53.223 52.037 -0.019 0.000 0.628 561 A CB -0.735 18.261 19.000 -0.007 0.000 0.814 561 A HN 0.494 nan 8.150 nan 0.000 0.444 562 L N -0.808 120.409 121.223 -0.009 0.000 2.141 562 L HA -0.038 4.300 4.340 -0.003 0.000 0.209 562 L C 2.118 178.988 176.870 0.000 0.000 1.094 562 L CA 0.914 55.753 54.840 -0.002 0.000 0.763 562 L CB -0.122 41.938 42.059 0.002 0.000 0.908 562 L HN 0.399 nan 8.230 nan 0.000 0.437 563 L N -0.760 120.459 121.223 -0.007 0.000 2.492 563 L HA -0.100 4.239 4.340 -0.003 0.000 0.223 563 L C 2.447 179.316 176.870 -0.000 0.000 1.132 563 L CA 0.137 54.980 54.840 0.005 0.000 0.850 563 L CB -0.262 41.791 42.059 -0.010 0.000 0.966 563 L HN 0.205 nan 8.230 nan 0.000 0.454 564 R N 1.380 121.873 120.500 -0.012 0.000 2.153 564 R HA -0.152 4.186 4.340 -0.003 0.000 0.218 564 R C 1.942 178.241 176.300 -0.001 0.000 1.072 564 R CA 1.292 57.386 56.100 -0.010 0.000 0.990 564 R CB -0.108 30.183 30.300 -0.016 0.000 0.889 564 R HN 0.554 nan 8.270 nan 0.000 0.452 565 E N -0.740 119.460 120.200 0.001 0.000 2.502 565 E HA -0.031 4.317 4.350 -0.003 0.000 0.194 565 E C 0.766 177.370 176.600 0.006 0.000 1.062 565 E CA 0.438 56.840 56.400 0.003 0.000 0.867 565 E CB 0.245 29.947 29.700 0.003 0.000 0.888 565 E HN -0.006 nan 8.360 nan 0.000 0.510 566 K N -0.102 120.304 120.400 0.010 0.000 2.374 566 K HA 0.163 4.481 4.320 -0.003 0.000 0.202 566 K C 0.888 177.498 176.600 0.017 0.000 1.040 566 K CA 0.517 56.813 56.287 0.014 0.000 1.085 566 K CB 1.345 33.858 32.500 0.021 0.000 0.873 566 K HN 0.321 nan 8.250 nan 0.000 0.539 567 G N 1.114 109.923 108.800 0.015 0.000 2.175 567 G HA2 -0.225 3.734 3.960 -0.003 0.000 0.244 567 G HA3 -0.225 3.734 3.960 -0.003 0.000 0.244 567 G C 0.044 174.960 174.900 0.026 0.000 0.982 567 G CA 0.176 45.286 45.100 0.016 0.000 0.641 567 G HN 0.082 nan 8.290 nan 0.000 0.527 568 V N 1.095 121.031 119.914 0.038 0.000 2.432 568 V HA 0.576 4.694 4.120 -0.003 0.000 0.275 568 V C 0.626 176.732 176.094 0.019 0.000 1.043 568 V CA -0.557 61.783 62.300 0.066 0.000 0.925 568 V CB 1.277 33.184 31.823 0.140 0.000 0.985 568 V HN 0.347 nan 8.190 nan 0.000 0.466 569 R N 3.746 124.255 120.500 0.014 0.000 2.198 569 R HA 0.621 4.959 4.340 -0.003 0.000 0.339 569 R C -0.740 175.504 176.300 -0.094 0.000 1.020 569 R CA -0.125 55.955 56.100 -0.034 0.000 0.864 569 R CB 1.445 31.736 30.300 -0.015 0.000 1.105 569 R HN 0.498 nan 8.270 nan 0.000 0.463 570 V N 3.188 122.990 119.914 -0.187 0.000 2.735 570 V HA 0.509 4.627 4.120 -0.003 0.000 0.310 570 V C -0.491 175.464 176.094 -0.233 0.000 1.061 570 V CA -1.077 61.026 62.300 -0.329 0.000 0.913 570 V CB 1.897 33.310 31.823 -0.683 0.000 1.005 570 V HN 0.767 nan 8.190 nan 0.000 0.428 571 R N 3.968 124.345 120.500 -0.206 0.000 2.500 571 R HA 0.704 5.042 4.340 -0.003 0.000 0.275 571 R C -1.635 174.558 176.300 -0.178 0.000 1.051 571 R CA -0.374 55.633 56.100 -0.154 0.000 1.088 571 R CB 1.699 31.929 30.300 -0.116 0.000 1.063 571 R HN 0.539 nan 8.270 nan 0.000 0.511 572 V N 4.469 124.287 119.914 -0.159 0.000 2.376 572 V HA 0.279 4.397 4.120 -0.003 0.000 0.287 572 V C -0.511 175.457 176.094 -0.210 0.000 1.015 572 V CA -0.711 61.483 62.300 -0.177 0.000 0.834 572 V CB 1.648 33.377 31.823 -0.157 0.000 1.001 572 V HN 0.523 nan 8.190 nan 0.000 0.428 573 V N 3.818 123.590 119.914 -0.238 0.000 2.472 573 V HA 0.466 4.584 4.120 -0.003 0.000 0.290 573 V C 0.401 176.276 176.094 -0.366 0.000 1.037 573 V CA -0.236 61.871 62.300 -0.321 0.000 0.908 573 V CB 2.065 33.705 31.823 -0.305 0.000 0.985 573 V HN 0.823 nan 8.190 nan 0.000 0.454 574 S N 4.575 119.948 115.700 -0.544 0.000 2.422 574 S HA 0.517 4.985 4.470 -0.003 0.000 0.308 574 S C -0.645 173.731 174.600 -0.373 0.000 1.097 574 S CA -0.478 57.450 58.200 -0.455 0.000 1.099 574 S CB 0.588 63.430 63.200 -0.598 0.000 0.976 574 S HN 0.564 nan 8.310 nan 0.000 0.471 575 L N 9.394 130.494 121.223 -0.204 0.000 2.603 575 L HA 0.523 4.861 4.340 -0.003 0.000 0.242 575 L C -1.693 175.198 176.870 0.035 0.000 1.169 575 L CA -2.059 52.667 54.840 -0.190 0.000 1.029 575 L CB 1.050 42.925 42.059 -0.306 0.000 1.361 575 L HN 0.447 nan 8.230 nan 0.000 0.439 576 P HA -0.078 nan 4.420 nan 0.000 0.221 576 P C 0.120 177.509 177.300 0.149 0.000 1.145 576 P CA 0.694 63.877 63.100 0.139 0.000 0.795 576 P CB 0.445 32.249 31.700 0.173 0.000 0.775 577 S N -2.027 113.765 115.700 0.152 0.000 2.649 577 S HA 0.374 4.842 4.470 -0.003 0.000 0.274 577 S C 0.218 174.950 174.600 0.219 0.000 1.176 577 S CA -0.607 57.684 58.200 0.151 0.000 0.988 577 S CB 0.109 63.334 63.200 0.041 0.000 1.071 577 S HN -0.288 nan 8.310 nan 0.000 0.478 578 F N 3.294 123.206 119.950 -0.063 0.000 2.113 578 F HA -0.013 4.512 4.527 -0.003 0.000 0.297 578 F C 2.634 178.440 175.800 0.010 0.000 1.103 578 F CA 1.620 59.633 58.000 0.022 0.000 1.248 578 F CB -0.367 38.641 39.000 0.014 0.000 0.999 578 F HN 0.734 nan 8.300 nan 0.000 0.475 579 E N 0.582 120.786 120.200 0.007 0.000 2.028 579 E HA -0.218 4.130 4.350 -0.003 0.000 0.191 579 E C 2.439 178.828 176.600 -0.352 0.000 0.988 579 E CA 1.139 57.385 56.400 -0.258 0.000 0.799 579 E CB -1.329 28.009 29.700 -0.603 0.000 0.755 579 E HN 0.399 nan 8.360 nan 0.000 0.447 580 L N -0.053 120.862 121.223 -0.514 0.000 2.042 580 L HA -0.170 4.168 4.340 -0.003 0.000 0.210 580 L C 2.652 179.552 176.870 0.050 0.000 1.076 580 L CA 1.531 56.255 54.840 -0.194 0.000 0.749 580 L CB -0.277 41.759 42.059 -0.038 0.000 0.893 580 L HN 0.022 nan 8.230 nan 0.000 0.432 581 F N 0.660 120.584 119.950 -0.042 0.000 2.102 581 F HA -0.197 4.329 4.527 -0.003 0.000 0.298 581 F C 2.376 178.209 175.800 0.055 0.000 1.105 581 F CA 1.415 59.430 58.000 0.026 0.000 1.239 581 F CB -0.539 38.424 39.000 -0.061 0.000 0.991 581 F HN 0.070 nan 8.300 nan 0.000 0.474 582 A N -0.025 122.793 122.820 -0.004 0.000 2.125 582 A HA 0.080 4.399 4.320 -0.003 0.000 0.219 582 A C 2.183 179.721 177.584 -0.078 0.000 1.156 582 A CA 1.286 53.280 52.037 -0.072 0.000 0.671 582 A CB -1.375 17.664 19.000 0.066 0.000 0.794 582 A HN 0.463 nan 8.150 nan 0.000 0.459 583 A N -1.225 121.571 122.820 -0.041 0.000 2.208 583 A HA 0.167 4.485 4.320 -0.003 0.000 0.209 583 A C 0.911 178.481 177.584 -0.024 0.000 1.161 583 A CA 0.065 52.102 52.037 -0.001 0.000 0.782 583 A CB -0.047 18.992 19.000 0.064 0.000 0.816 583 A HN 0.458 nan 8.150 nan 0.000 0.477 584 Q N 1.022 120.777 119.800 -0.074 0.000 2.299 584 Q HA 0.290 4.628 4.340 -0.003 0.000 0.246 584 Q C -2.471 173.503 176.000 -0.043 0.000 0.935 584 Q CA -2.433 53.335 55.803 -0.058 0.000 0.887 584 Q CB 0.337 29.076 28.738 0.001 0.000 1.223 584 Q HN 0.262 nan 8.270 nan 0.000 0.439 585 P HA -0.110 nan 4.420 nan 0.000 0.266 585 P C 0.438 177.747 177.300 0.014 0.000 1.193 585 P CA 0.278 63.383 63.100 0.009 0.000 0.770 585 P CB 0.798 32.512 31.700 0.022 0.000 0.836 586 E N 2.875 123.071 120.200 -0.006 0.000 2.114 586 E HA -0.279 4.069 4.350 -0.003 0.000 0.199 586 E C 1.905 178.508 176.600 0.005 0.000 1.008 586 E CA 1.992 58.383 56.400 -0.015 0.000 0.810 586 E CB -0.535 29.161 29.700 -0.008 0.000 0.739 586 E HN 0.516 nan 8.360 nan 0.000 0.456 587 A N 0.316 123.156 122.820 0.033 0.000 1.859 587 A HA -0.253 4.066 4.320 -0.003 0.000 0.217 587 A C 2.146 179.770 177.584 0.065 0.000 1.198 587 A CA 1.790 53.855 52.037 0.047 0.000 0.629 587 A CB -1.297 17.738 19.000 0.059 0.000 0.830 587 A HN 0.623 nan 8.150 nan 0.000 0.446 588 Y N 0.678 120.968 120.300 -0.016 0.000 2.081 588 Y HA -0.286 4.262 4.550 -0.002 0.000 0.280 588 Y C 2.530 178.441 175.900 0.019 0.000 1.163 588 Y CA 2.366 60.468 58.100 0.003 0.000 1.135 588 Y CB -0.470 37.982 38.460 -0.013 0.000 0.970 588 Y HN 0.300 nan 8.280 nan 0.000 0.498 589 R N 0.108 120.516 120.500 -0.154 0.000 2.091 589 R HA -0.156 4.182 4.340 -0.003 0.000 0.238 589 R C 2.215 178.479 176.300 -0.060 0.000 1.136 589 R CA 1.728 57.695 56.100 -0.221 0.000 0.959 589 R CB -0.193 29.916 30.300 -0.318 0.000 0.856 589 R HN 0.160 nan 8.270 nan 0.000 0.437 590 K N 0.796 121.169 120.400 -0.044 0.000 2.211 590 K HA -0.138 4.180 4.320 -0.003 0.000 0.203 590 K C 1.813 178.397 176.600 -0.028 0.000 1.050 590 K CA 1.306 57.589 56.287 -0.007 0.000 0.945 590 K CB 0.005 32.507 32.500 0.003 0.000 0.732 590 K HN 0.413 nan 8.250 nan 0.000 0.451 591 E N 0.346 120.498 120.200 -0.079 0.000 2.072 591 E HA -0.097 4.251 4.350 -0.003 0.000 0.190 591 E C 2.090 178.619 176.600 -0.118 0.000 0.982 591 E CA 0.843 57.191 56.400 -0.087 0.000 0.803 591 E CB -0.006 29.641 29.700 -0.089 0.000 0.755 591 E HN -0.058 nan 8.360 nan 0.000 0.453 592 V N 1.167 120.958 119.914 -0.206 0.000 2.270 592 V HA -0.152 3.966 4.120 -0.003 0.000 0.245 592 V C 1.312 177.367 176.094 -0.066 0.000 1.043 592 V CA 1.233 63.439 62.300 -0.156 0.000 1.014 592 V CB -0.175 31.561 31.823 -0.145 0.000 0.645 592 V HN 0.207 nan 8.190 nan 0.000 0.447 593 L N 2.813 124.039 121.223 0.006 0.000 2.502 593 L HA 0.343 4.681 4.340 -0.003 0.000 0.247 593 L C -2.430 174.472 176.870 0.053 0.000 1.180 593 L CA -1.533 53.329 54.840 0.038 0.000 0.956 593 L CB 1.162 43.277 42.059 0.094 0.000 1.282 593 L HN 0.188 nan 8.230 nan 0.000 0.470 594 P HA 0.068 nan 4.420 nan 0.000 0.262 594 P C -2.352 174.981 177.300 0.056 0.000 1.199 594 P CA -0.763 62.356 63.100 0.032 0.000 0.763 594 P CB -0.068 31.642 31.700 0.017 0.000 0.790 595 P HA -0.051 nan 4.420 nan 0.000 0.267 595 P C 1.047 178.386 177.300 0.064 0.000 1.201 595 P CA 1.017 64.161 63.100 0.074 0.000 0.775 595 P CB 0.196 31.929 31.700 0.056 0.000 0.854 596 G N 0.497 109.343 108.800 0.077 0.000 2.490 596 G HA2 -0.232 3.726 3.960 -0.003 0.000 0.214 596 G HA3 -0.232 3.726 3.960 -0.003 0.000 0.214 596 G C -0.292 174.620 174.900 0.019 0.000 1.151 596 G CA -0.101 45.025 45.100 0.044 0.000 0.684 596 G HN 0.514 nan 8.290 nan 0.000 0.518 597 L N 4.478 125.724 121.223 0.038 0.000 2.416 597 L HA 0.427 4.766 4.340 -0.003 0.000 0.272 597 L C -1.160 175.708 176.870 -0.004 0.000 1.161 597 L CA -1.323 53.534 54.840 0.029 0.000 0.845 597 L CB 0.062 42.156 42.059 0.058 0.000 1.119 597 L HN 0.211 nan 8.230 nan 0.000 0.464 598 P HA 0.151 nan 4.420 nan 0.000 0.271 598 P C -1.041 176.333 177.300 0.123 0.000 1.218 598 P CA -0.186 62.738 63.100 -0.294 0.000 0.780 598 P CB 1.259 32.801 31.700 -0.262 0.000 0.901 599 V N 2.842 122.962 119.914 0.345 0.000 2.638 599 V HA 0.264 4.383 4.120 -0.003 0.000 0.306 599 V C 0.101 176.350 176.094 0.257 0.000 1.052 599 V CA -0.744 61.743 62.300 0.311 0.000 0.885 599 V CB 2.312 34.307 31.823 0.286 0.000 0.999 599 V HN 0.275 nan 8.190 nan 0.000 0.424 600 V N 3.727 123.733 119.914 0.153 0.000 2.417 600 V HA 0.834 4.952 4.120 -0.003 0.000 0.291 600 V C 0.422 176.468 176.094 -0.080 0.000 1.024 600 V CA -0.371 61.968 62.300 0.065 0.000 0.861 600 V CB 1.733 33.618 31.823 0.104 0.000 0.985 600 V HN 1.030 nan 8.190 nan 0.000 0.436 601 A N 4.623 127.321 122.820 -0.204 0.000 2.306 601 A HA 0.920 5.238 4.320 -0.003 0.000 0.330 601 A C -0.830 176.463 177.584 -0.485 0.000 1.146 601 A CA -0.565 51.170 52.037 -0.503 0.000 0.827 601 A CB 1.589 19.970 19.000 -1.032 0.000 1.178 601 A HN 0.741 nan 8.150 nan 0.000 0.490 602 V N 1.376 121.010 119.914 -0.467 0.000 2.567 602 V HA 0.617 4.736 4.120 -0.003 0.000 0.298 602 V C -0.560 175.466 176.094 -0.113 0.000 1.047 602 V CA -0.345 61.831 62.300 -0.207 0.000 0.880 602 V CB 1.291 33.081 31.823 -0.055 0.000 1.009 602 V HN 1.012 nan 8.190 nan 0.000 0.429 603 E N 3.098 123.321 120.200 0.040 0.000 2.397 603 E HA 0.596 4.945 4.350 -0.003 0.000 0.293 603 E C -0.529 176.196 176.600 0.209 0.000 0.930 603 E CA -0.647 55.843 56.400 0.150 0.000 0.793 603 E CB 1.974 31.854 29.700 0.300 0.000 1.259 603 E HN 0.851 nan 8.360 nan 0.000 0.406 604 A N 3.312 126.067 122.820 -0.108 0.000 3.052 604 A HA 0.554 4.873 4.320 -0.003 0.000 0.266 604 A C 0.295 177.875 177.584 -0.008 0.000 1.855 604 A CA 0.887 52.689 52.037 -0.392 0.000 1.473 604 A CB -0.608 17.965 19.000 -0.711 0.000 1.038 604 A HN 0.558 nan 8.150 nan 0.000 0.619 605 G N -0.971 107.929 108.800 0.166 0.000 2.548 605 G HA2 0.640 4.598 3.960 -0.003 0.000 0.301 605 G HA3 0.640 4.598 3.960 -0.003 0.000 0.301 605 G C -0.277 174.737 174.900 0.190 0.000 1.349 605 G CA -0.111 45.084 45.100 0.158 0.000 0.792 605 G HN 1.150 nan 8.290 nan 0.000 0.481 606 A N -0.313 122.589 122.820 0.137 0.000 2.561 606 A HA 0.454 4.772 4.320 -0.003 0.000 0.234 606 A C 1.724 179.442 177.584 0.223 0.000 1.055 606 A CA 1.081 53.188 52.037 0.116 0.000 0.756 606 A CB 0.165 19.193 19.000 0.046 0.000 0.986 606 A HN 1.921 nan 8.150 nan 0.000 0.505 607 S N 1.965 117.784 115.700 0.198 0.000 2.458 607 S HA 0.028 4.497 4.470 -0.003 0.000 0.223 607 S C 0.721 175.487 174.600 0.276 0.000 1.019 607 S CA 0.267 58.647 58.200 0.300 0.000 0.937 607 S CB -0.547 62.752 63.200 0.164 0.000 0.788 607 S HN 0.861 nan 8.310 nan 0.000 0.511 608 L N 3.108 124.412 121.223 0.134 0.000 2.628 608 L HA 0.406 4.744 4.340 -0.003 0.000 0.274 608 L C 1.211 178.105 176.870 0.041 0.000 1.209 608 L CA 1.600 56.483 54.840 0.071 0.000 0.930 608 L CB -0.372 41.698 42.059 0.019 0.000 1.183 608 L HN 0.569 nan 8.230 nan 0.000 0.492 609 G N 3.206 112.030 108.800 0.040 0.000 2.238 609 G HA2 -0.322 3.637 3.960 -0.003 0.000 0.217 609 G HA3 -0.322 3.637 3.960 -0.003 0.000 0.217 609 G C 0.640 175.547 174.900 0.012 0.000 0.996 609 G CA 0.377 45.462 45.100 -0.024 0.000 0.632 609 G HN 0.711 nan 8.290 nan 0.000 0.503 610 W N 1.295 122.675 121.300 0.134 0.000 2.678 610 W HA 0.355 5.013 4.660 -0.003 0.000 0.256 610 W C 2.069 178.636 176.519 0.081 0.000 1.280 610 W CA 1.035 58.485 57.345 0.175 0.000 1.345 610 W CB 0.259 29.814 29.460 0.158 0.000 1.118 610 W HN 0.330 nan 8.180 nan 0.000 0.629 611 E N -0.058 120.278 120.200 0.227 0.000 2.463 611 E HA -0.165 4.183 4.350 -0.003 0.000 0.201 611 E C 1.756 178.353 176.600 -0.005 0.000 1.045 611 E CA 0.702 57.156 56.400 0.090 0.000 0.872 611 E CB -0.248 29.477 29.700 0.041 0.000 0.797 611 E HN 0.233 nan 8.360 nan 0.000 0.538 612 R N -0.876 119.600 120.500 -0.040 0.000 2.153 612 R HA -0.051 4.287 4.340 -0.003 0.000 0.218 612 R C 0.702 176.764 176.300 -0.398 0.000 1.072 612 R CA 1.061 56.993 56.100 -0.280 0.000 0.990 612 R CB 0.201 30.241 30.300 -0.433 0.000 0.889 612 R HN 0.262 nan 8.270 nan 0.000 0.452 613 Y N -2.465 117.879 120.300 0.074 0.000 2.425 613 Y HA 0.452 5.000 4.550 -0.003 0.000 0.261 613 Y C 0.142 176.089 175.900 0.078 0.000 1.084 613 Y CA -0.176 57.966 58.100 0.071 0.000 1.248 613 Y CB 0.975 39.482 38.460 0.079 0.000 1.270 613 Y HN -0.042 nan 8.280 nan 0.000 0.524 614 A N -1.106 121.859 122.820 0.241 0.000 2.423 614 A HA 0.606 4.924 4.320 -0.003 0.000 0.304 614 A C -0.573 177.005 177.584 -0.010 0.000 1.104 614 A CA -0.450 51.672 52.037 0.142 0.000 0.757 614 A CB 0.655 19.755 19.000 0.166 0.000 1.313 614 A HN 0.319 nan 8.150 nan 0.000 0.423 615 H N -0.269 118.854 119.070 0.088 0.000 2.520 615 H HA 0.283 4.837 4.556 -0.003 0.000 0.279 615 H C 0.165 175.516 175.328 0.038 0.000 0.990 615 H CA 1.320 57.402 56.048 0.056 0.000 1.288 615 H CB 0.351 30.134 29.762 0.036 0.000 1.446 615 H HN 0.456 nan 8.280 nan 0.000 0.538 616 K N 0.198 120.687 120.400 0.149 0.000 2.502 616 K HA 0.538 4.856 4.320 -0.003 0.000 0.257 616 K C -1.895 174.712 176.600 0.011 0.000 0.938 616 K CA -0.918 55.408 56.287 0.065 0.000 0.819 616 K CB 2.790 35.318 32.500 0.046 0.000 1.333 616 K HN -0.077 nan 8.250 nan 0.000 0.434 617 V N 3.616 123.510 119.914 -0.034 0.000 2.841 617 V HA 0.597 4.716 4.120 -0.003 0.000 0.310 617 V C -1.609 174.400 176.094 -0.140 0.000 1.090 617 V CA -0.685 61.537 62.300 -0.130 0.000 0.930 617 V CB 2.208 33.947 31.823 -0.140 0.000 1.014 617 V HN 0.492 nan 8.190 nan 0.000 0.425 618 V N 7.071 126.868 119.914 -0.195 0.000 2.288 618 V HA 0.850 4.969 4.120 -0.003 0.000 0.266 618 V C 0.526 176.511 176.094 -0.181 0.000 1.048 618 V CA 0.634 62.795 62.300 -0.231 0.000 0.842 618 V CB 0.401 32.070 31.823 -0.257 0.000 1.064 618 V HN 1.172 nan 8.190 nan 0.000 0.472 619 A N 4.830 127.576 122.820 -0.122 0.000 2.486 619 A HA 0.982 5.301 4.320 -0.003 0.000 0.277 619 A C -1.480 176.191 177.584 0.146 0.000 1.282 619 A CA -0.708 51.399 52.037 0.117 0.000 0.784 619 A CB 1.589 20.662 19.000 0.122 0.000 1.350 619 A HN 0.620 nan 8.150 nan 0.000 0.454 620 L N 0.421 121.798 121.223 0.256 0.000 2.342 620 L HA 0.621 4.959 4.340 -0.003 0.000 0.276 620 L C -1.439 175.477 176.870 0.076 0.000 0.997 620 L CA -0.097 54.856 54.840 0.189 0.000 0.838 620 L CB 1.414 43.636 42.059 0.272 0.000 1.224 620 L HN 0.540 nan 8.230 nan 0.000 0.416 621 D N 5.086 125.493 120.400 0.011 0.000 2.772 621 D HA 0.267 4.905 4.640 -0.003 0.000 0.272 621 D C -0.365 175.862 176.300 -0.122 0.000 1.314 621 D CA 0.049 54.020 54.000 -0.048 0.000 0.835 621 D CB 0.400 41.180 40.800 -0.033 0.000 1.080 621 D HN 0.635 nan 8.370 nan 0.000 0.482 622 R N -1.818 118.598 120.500 -0.140 0.000 2.716 622 R HA 0.476 4.815 4.340 -0.003 0.000 0.271 622 R C -0.876 175.311 176.300 -0.189 0.000 1.028 622 R CA -0.800 55.174 56.100 -0.210 0.000 0.883 622 R CB 0.484 30.744 30.300 -0.067 0.000 1.250 622 R HN -0.336 nan 8.270 nan 0.000 0.465 623 F N 0.682 120.664 119.950 0.052 0.000 2.444 623 F HA 0.397 4.922 4.527 -0.003 0.000 0.331 623 F C 1.750 177.585 175.800 0.059 0.000 1.167 623 F CA 1.119 59.153 58.000 0.057 0.000 1.262 623 F CB 0.535 39.566 39.000 0.052 0.000 1.196 623 F HN 0.815 nan 8.300 nan 0.000 0.583 624 G N 0.092 109.059 108.800 0.277 0.000 2.529 624 G HA2 0.522 4.481 3.960 -0.003 0.000 0.234 624 G HA3 0.522 4.481 3.960 -0.003 0.000 0.234 624 G C -1.162 173.823 174.900 0.141 0.000 1.527 624 G CA 0.190 45.394 45.100 0.172 0.000 1.062 624 G HN 0.968 nan 8.290 nan 0.000 0.558 625 A N -2.107 120.777 122.820 0.107 0.000 2.605 625 A HA 0.582 4.900 4.320 -0.003 0.000 0.294 625 A C -0.385 177.237 177.584 0.064 0.000 1.062 625 A CA 0.039 52.125 52.037 0.083 0.000 0.682 625 A CB 1.084 20.130 19.000 0.078 0.000 1.278 625 A HN 1.226 nan 8.150 nan 0.000 0.410 626 S N 0.495 116.223 115.700 0.047 0.000 2.485 626 S HA 0.620 5.088 4.470 -0.003 0.000 0.312 626 S C -0.019 174.601 174.600 0.033 0.000 1.102 626 S CA 0.502 58.720 58.200 0.030 0.000 1.066 626 S CB -0.734 62.477 63.200 0.019 0.000 1.102 626 S HN 2.184 nan 8.310 nan 0.000 0.519 627 A N 6.012 128.856 122.820 0.040 0.000 2.612 627 A HA 0.802 5.120 4.320 -0.003 0.000 0.293 627 A C -3.235 174.381 177.584 0.053 0.000 1.075 627 A CA -1.492 50.571 52.037 0.043 0.000 0.680 627 A CB 0.981 20.011 19.000 0.050 0.000 1.279 627 A HN 0.555 nan 8.150 nan 0.000 0.411 628 P HA 0.355 nan 4.420 nan 0.000 0.274 628 P C -1.130 176.228 177.300 0.097 0.000 1.237 628 P CA 0.021 63.158 63.100 0.061 0.000 0.793 628 P CB 0.258 31.979 31.700 0.035 0.000 0.977 629 Y N 3.551 123.840 120.300 -0.018 0.000 2.320 629 Y HA 0.369 4.917 4.550 -0.003 0.000 0.324 629 Y C -1.279 174.606 175.900 -0.025 0.000 1.190 629 Y CA -1.917 56.166 58.100 -0.027 0.000 1.215 629 Y CB 0.756 39.164 38.460 -0.086 0.000 1.221 629 Y HN 0.347 nan 8.280 nan 0.000 0.486 630 P HA 0.009 nan 4.420 nan 0.000 0.255 630 P C 0.689 177.855 177.300 -0.224 0.000 1.248 630 P CA 0.513 63.005 63.100 -1.012 0.000 0.807 630 P CB 0.256 31.276 31.700 -1.133 0.000 1.150 631 E N 0.907 121.040 120.200 -0.111 0.000 2.048 631 E HA -0.189 4.159 4.350 -0.003 0.000 0.202 631 E C 1.846 178.484 176.600 0.062 0.000 1.021 631 E CA 1.554 57.947 56.400 -0.012 0.000 0.825 631 E CB -0.536 29.161 29.700 -0.005 0.000 0.756 631 E HN -0.019 nan 8.360 nan 0.000 0.454 632 V N 0.134 120.108 119.914 0.099 0.000 2.332 632 V HA -0.274 3.844 4.120 -0.003 0.000 0.248 632 V C 2.048 178.271 176.094 0.213 0.000 1.055 632 V CA 2.425 64.809 62.300 0.139 0.000 1.038 632 V CB -0.604 31.305 31.823 0.143 0.000 0.651 632 V HN 0.551 nan 8.190 nan 0.000 0.450 633 Y N 1.070 121.441 120.300 0.117 0.000 2.145 633 Y HA -0.239 4.309 4.550 -0.003 0.000 0.286 633 Y C 2.497 178.519 175.900 0.204 0.000 1.145 633 Y CA 2.469 60.673 58.100 0.173 0.000 1.148 633 Y CB -0.070 38.516 38.460 0.211 0.000 0.981 633 Y HN 0.435 nan 8.280 nan 0.000 0.507 634 E N -0.019 120.310 120.200 0.214 0.000 2.028 634 E HA -0.201 4.148 4.350 -0.003 0.000 0.191 634 E C 2.133 178.750 176.600 0.028 0.000 0.988 634 E CA 1.306 57.757 56.400 0.086 0.000 0.799 634 E CB -0.266 29.477 29.700 0.071 0.000 0.755 634 E HN 0.488 nan 8.360 nan 0.000 0.447 635 R N 0.344 120.870 120.500 0.044 0.000 2.241 635 R HA -0.075 4.263 4.340 -0.003 0.000 0.224 635 R C 1.532 177.844 176.300 0.019 0.000 1.101 635 R CA 0.445 56.559 56.100 0.022 0.000 0.995 635 R CB -0.109 30.209 30.300 0.031 0.000 0.870 635 R HN 0.067 nan 8.270 nan 0.000 0.463 636 L N -0.346 120.909 121.223 0.053 0.000 2.629 636 L HA 0.223 4.562 4.340 -0.003 0.000 0.230 636 L C 1.067 177.915 176.870 -0.038 0.000 1.151 636 L CA 0.973 55.852 54.840 0.065 0.000 0.924 636 L CB 0.399 42.557 42.059 0.165 0.000 1.137 636 L HN 0.408 nan 8.230 nan 0.000 0.457 637 G N -1.524 107.192 108.800 -0.141 0.000 2.218 637 G HA2 -0.269 3.689 3.960 -0.003 0.000 0.216 637 G HA3 -0.269 3.689 3.960 -0.003 0.000 0.216 637 G C 0.290 174.829 174.900 -0.602 0.000 0.994 637 G CA -0.208 44.674 45.100 -0.364 0.000 0.637 637 G HN 0.164 nan 8.290 nan 0.000 0.505 638 F N 3.276 123.032 119.950 -0.323 0.000 2.499 638 F HA 0.535 5.061 4.527 -0.003 0.000 0.353 638 F C 0.996 176.631 175.800 -0.276 0.000 1.196 638 F CA 0.506 58.227 58.000 -0.465 0.000 1.244 638 F CB 0.766 39.067 39.000 -1.164 0.000 1.577 638 F HN 0.205 nan 8.300 nan 0.000 0.614 639 T N -1.112 113.389 114.554 -0.088 0.000 2.893 639 T HA 0.338 4.687 4.350 -0.003 0.000 0.293 639 T C -1.892 172.804 174.700 -0.006 0.000 1.027 639 T CA -2.319 59.777 62.100 -0.006 0.000 0.988 639 T CB 2.510 71.361 68.868 -0.028 0.000 1.043 639 T HN 0.024 nan 8.240 nan 0.000 0.461 640 P HA -0.165 nan 4.420 nan 0.000 0.217 640 P C 0.925 178.222 177.300 -0.005 0.000 1.148 640 P CA 1.329 64.441 63.100 0.020 0.000 0.828 640 P CB 0.315 32.033 31.700 0.031 0.000 0.783 641 E N -0.190 120.004 120.200 -0.011 0.000 2.051 641 E HA -0.154 4.195 4.350 -0.003 0.000 0.192 641 E C 2.316 178.895 176.600 -0.035 0.000 0.991 641 E CA 1.072 57.461 56.400 -0.019 0.000 0.799 641 E CB -0.662 29.026 29.700 -0.021 0.000 0.748 641 E HN 0.085 nan 8.360 nan 0.000 0.449 642 R N 0.240 120.702 120.500 -0.063 0.000 2.105 642 R HA -0.079 4.259 4.340 -0.003 0.000 0.239 642 R C 2.306 178.556 176.300 -0.084 0.000 1.135 642 R CA 0.867 56.910 56.100 -0.096 0.000 0.967 642 R CB -0.995 29.206 30.300 -0.166 0.000 0.861 642 R HN 0.177 nan 8.270 nan 0.000 0.442 643 V N 0.976 120.849 119.914 -0.069 0.000 2.270 643 V HA -0.191 3.927 4.120 -0.003 0.000 0.245 643 V C 2.571 178.669 176.094 0.007 0.000 1.043 643 V CA 1.791 64.065 62.300 -0.045 0.000 1.014 643 V CB -1.007 30.794 31.823 -0.036 0.000 0.645 643 V HN 0.302 nan 8.190 nan 0.000 0.447 644 A N -0.031 122.797 122.820 0.013 0.000 1.873 644 A HA -0.301 4.018 4.320 -0.003 0.000 0.218 644 A C 2.156 179.783 177.584 0.072 0.000 1.193 644 A CA 2.222 54.292 52.037 0.055 0.000 0.629 644 A CB -0.657 18.362 19.000 0.031 0.000 0.826 644 A HN 0.637 nan 8.150 nan 0.000 0.447 645 E N -0.352 119.860 120.200 0.019 0.000 2.130 645 E HA -0.164 4.184 4.350 -0.003 0.000 0.196 645 E C 2.298 178.894 176.600 -0.007 0.000 0.998 645 E CA 1.015 57.413 56.400 -0.002 0.000 0.806 645 E CB -0.330 29.354 29.700 -0.026 0.000 0.738 645 E HN 0.649 nan 8.360 nan 0.000 0.459 646 A N 1.096 123.915 122.820 -0.001 0.000 1.858 646 A HA -0.198 4.120 4.320 -0.003 0.000 0.216 646 A C 2.008 179.606 177.584 0.025 0.000 1.190 646 A CA 1.268 53.301 52.037 -0.006 0.000 0.617 646 A CB -0.780 18.209 19.000 -0.018 0.000 0.827 646 A HN 0.347 nan 8.150 nan 0.000 0.443 647 F N 0.732 120.649 119.950 -0.055 0.000 2.171 647 F HA -0.108 4.417 4.527 -0.003 0.000 0.300 647 F C 1.843 177.615 175.800 -0.046 0.000 1.090 647 F CA 1.460 59.431 58.000 -0.049 0.000 1.293 647 F CB -0.301 38.670 39.000 -0.049 0.000 1.013 647 F HN 0.129 nan 8.300 nan 0.000 0.486 648 L N 0.098 121.264 121.223 -0.096 0.000 2.187 648 L HA -0.223 4.115 4.340 -0.003 0.000 0.213 648 L C 2.450 179.193 176.870 -0.213 0.000 1.100 648 L CA 1.485 56.225 54.840 -0.166 0.000 0.765 648 L CB -1.000 41.038 42.059 -0.035 0.000 0.904 648 L HN 0.339 nan 8.230 nan 0.000 0.437 649 S N -0.975 114.621 115.700 -0.173 0.000 2.607 649 S HA 0.052 4.520 4.470 -0.003 0.000 0.224 649 S C 1.579 176.063 174.600 -0.192 0.000 0.969 649 S CA 0.202 58.315 58.200 -0.145 0.000 0.927 649 S CB -0.124 63.020 63.200 -0.093 0.000 0.772 649 S HN 0.422 nan 8.310 nan 0.000 0.533 650 L N 1.146 122.176 121.223 -0.322 0.000 2.556 650 L HA 0.332 4.671 4.340 -0.003 0.000 0.226 650 L C 0.692 177.319 176.870 -0.405 0.000 1.089 650 L CA -0.085 54.541 54.840 -0.356 0.000 0.864 650 L CB 0.212 42.017 42.059 -0.423 0.000 1.067 650 L HN 0.373 nan 8.230 nan 0.000 0.477 651 V N 0.000 119.638 119.914 -0.460 0.000 2.409 651 V HA 0.000 4.118 4.120 -0.003 0.000 0.244 651 V CA 0.000 62.098 62.300 -0.336 0.000 1.235 651 V CB 0.000 31.581 31.823 -0.403 0.000 1.184 651 V HN 0.000 nan 8.190 nan 0.000 0.556