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 2vqt_1_A DATA FIRST_RESID 28 DATA SEQUENCE NDTSEVMLLD TGWEFSQSGT EKWMPATVPG TVHQDLISHE LLPNPFYGMN DATA SEQUENCE EKKIQWVENE DWEYRTSFIV SEEQLNRDGI QLIFEGLDTY ADVYLNGSLL DATA SEQUENCE LKADNMFVGY TLPVKSVLRK GENHLYIYFH SPIRQTLPQY ASNGFNYPAD DATA SEQUENCE NDHHEKHLSV FSRKAPYSYG WDWGIRMVTS GVWRPVTLRF YDIATISDYY DATA SEQUENCE VRQLSLTDEN ARLSNELIVN QIVPQKIPAE VRVNVSLNGT TVTEVKQQVT DATA SEQUENCE LQPGINHITL PAEVTNPVRW MPNGWGTPTL YDFSAQIACG XRIVAEQSHR DATA SEQUENCE IGLRTIRVVN EKDKDGESFY FEVNGIPMFA KGANYIPQDA LLPNVTTERY DATA SEQUENCE QTLFRDMKEA NMNMVRIWGG GTYENNLFYD LADENGILVW QDFMFACTPY DATA SEQUENCE PSDPTFLKRV EAEAVYNIRR LRNHASLAMW CGNNEILEAL KYWGFEKKFT DATA SEQUENCE PEVYQGLMHG YDKLFRELLP STVKEFDSDR FYVHSSPYLA NWGRPESWGT DATA SEQUENCE GDSHNWGVWY GKKPFESLDT DLPRFMSEFG FQSFPEMKTI AAFAAPEDYQ DATA SEQUENCE IESEVMNAHQ KSSIGNSLIR TYMERDYIIP ESFEDFVYVG LVLQGQGMRH DATA SEQUENCE GLEAHRRNRP YCMGTLYWQL NDSWPVVSWS SIDYYGNWKA LHYQAKRAFA DATA SEQUENCE PVLINPIQQN DSLSVYLISD RLDTMEQMTL EMKVVDFDGK TLGKKIQVHS DATA SEQUENCE LEVPANTSKC VYRAKLDGWL TPEDCRRSFL KLILKDKSGH QVAESVHFFR DATA SEQUENCE KTKDLQLPPT SVSYQMKQTD GKCELTLFSS MLAKDIFIET PLQGARYSDN DATA SEQUENCE FFDLLPGERK KVIITSPRIK KGEELPVNIK HIRETYK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 28 N HA 0.000 nan 4.740 nan 0.000 0.220 28 N C 0.000 175.506 175.510 -0.006 0.000 1.280 28 N CA 0.000 53.047 53.050 -0.004 0.000 0.885 28 N CB 0.000 38.481 38.487 -0.010 0.000 1.341 29 D N -0.983 119.418 120.400 0.002 0.000 2.759 29 D HA 0.334 4.976 4.640 0.005 0.000 0.321 29 D C 0.435 176.750 176.300 0.025 0.000 1.267 29 D CA 0.344 54.348 54.000 0.007 0.000 0.933 29 D CB 0.647 41.446 40.800 -0.003 0.000 1.431 29 D HN 0.038 nan 8.370 nan 0.000 0.504 30 T N -2.481 112.095 114.554 0.036 0.000 3.163 30 T HA 0.129 4.482 4.350 0.005 0.000 0.260 30 T C 0.806 175.554 174.700 0.080 0.000 1.156 30 T CA 0.337 62.467 62.100 0.050 0.000 1.072 30 T CB -0.937 67.960 68.868 0.048 0.000 0.937 30 T HN 0.576 nan 8.240 nan 0.000 0.528 31 S N 0.524 116.279 115.700 0.093 0.000 2.603 31 S HA 0.278 4.751 4.470 0.005 0.000 0.268 31 S C -0.245 174.434 174.600 0.133 0.000 1.317 31 S CA -0.909 57.378 58.200 0.146 0.000 1.012 31 S CB 1.173 64.457 63.200 0.141 0.000 0.926 31 S HN 0.595 nan 8.310 nan 0.000 0.539 32 E N 1.226 121.544 120.200 0.196 0.000 2.158 32 E HA 0.504 4.857 4.350 0.005 0.000 0.271 32 E C -1.529 175.230 176.600 0.266 0.000 0.911 32 E CA -0.927 55.587 56.400 0.190 0.000 0.767 32 E CB 1.506 31.293 29.700 0.146 0.000 1.120 32 E HN 0.563 nan 8.360 nan 0.000 0.405 33 V N 5.900 125.913 119.914 0.166 0.000 2.398 33 V HA 0.329 4.452 4.120 0.005 0.000 0.286 33 V C 0.072 176.247 176.094 0.134 0.000 1.026 33 V CA -0.632 61.748 62.300 0.133 0.000 0.868 33 V CB 1.355 33.214 31.823 0.059 0.000 0.982 33 V HN 0.792 nan 8.190 nan 0.000 0.443 34 M N 5.854 125.545 119.600 0.152 0.000 2.114 34 M HA 0.549 5.032 4.480 0.005 0.000 0.332 34 M C -1.755 174.553 176.300 0.014 0.000 1.014 34 M CA -0.799 54.572 55.300 0.118 0.000 0.956 34 M CB 1.211 33.957 32.600 0.244 0.000 1.551 34 M HN 0.455 nan 8.290 nan 0.000 0.427 35 L N 6.416 127.649 121.223 0.018 0.000 2.278 35 L HA 0.308 4.651 4.340 0.005 0.000 0.287 35 L C -0.442 176.438 176.870 0.017 0.000 1.072 35 L CA 0.287 55.132 54.840 0.007 0.000 0.819 35 L CB 0.968 43.045 42.059 0.029 0.000 1.176 35 L HN 0.737 nan 8.230 nan 0.000 0.435 36 L N 4.904 126.131 121.223 0.006 0.000 2.399 36 L HA 0.201 4.544 4.340 0.005 0.000 0.257 36 L C 0.075 177.185 176.870 0.401 0.000 1.236 36 L CA -0.128 54.773 54.840 0.102 0.000 1.144 36 L CB -0.406 41.646 42.059 -0.013 0.000 1.379 36 L HN 0.649 nan 8.230 nan 0.000 0.414 37 D N -1.032 119.557 120.400 0.314 0.000 2.540 37 D HA 0.060 4.703 4.640 0.005 0.000 0.229 37 D C 0.392 176.905 176.300 0.355 0.000 1.250 37 D CA -0.083 54.105 54.000 0.313 0.000 0.817 37 D CB 0.490 41.375 40.800 0.140 0.000 1.060 37 D HN 0.318 nan 8.370 nan 0.000 0.508 38 T N -4.796 109.978 114.554 0.365 0.000 2.896 38 T HA 0.547 4.900 4.350 0.005 0.000 0.297 38 T C 0.885 175.707 174.700 0.203 0.000 1.108 38 T CA -0.256 62.017 62.100 0.288 0.000 1.004 38 T CB 1.802 70.769 68.868 0.165 0.000 1.159 38 T HN 0.423 nan 8.240 nan 0.000 0.499 39 G N 0.032 108.949 108.800 0.196 0.000 2.143 39 G HA2 -0.206 3.757 3.960 0.005 0.000 0.249 39 G HA3 -0.206 3.757 3.960 0.005 0.000 0.249 39 G C -0.175 174.774 174.900 0.082 0.000 0.981 39 G CA -0.201 44.956 45.100 0.095 0.000 0.665 39 G HN 0.816 nan 8.290 nan 0.000 0.528 40 W N 0.882 122.289 121.300 0.179 0.000 2.218 40 W HA 0.613 5.276 4.660 0.005 0.000 0.326 40 W C 0.821 177.510 176.519 0.283 0.000 1.276 40 W CA -0.123 57.370 57.345 0.246 0.000 1.210 40 W CB 0.586 30.235 29.460 0.314 0.000 1.143 40 W HN 0.212 nan 8.180 nan 0.000 0.563 41 E N 2.183 122.713 120.200 0.550 0.000 2.343 41 E HA 0.556 4.909 4.350 0.005 0.000 0.270 41 E C -1.157 175.859 176.600 0.694 0.000 0.895 41 E CA -1.111 55.617 56.400 0.547 0.000 0.767 41 E CB 2.258 32.171 29.700 0.355 0.000 1.248 41 E HN 0.347 nan 8.360 nan 0.000 0.440 42 F N -1.048 119.074 119.950 0.287 0.000 2.640 42 F HA 0.848 5.378 4.527 0.005 0.000 0.324 42 F C -0.710 174.950 175.800 -0.234 0.000 1.077 42 F CA -0.865 57.057 58.000 -0.131 0.000 0.965 42 F CB 2.128 40.642 39.000 -0.810 0.000 1.351 42 F HN 0.343 nan 8.300 nan 0.000 0.487 43 S N 1.000 116.244 115.700 -0.760 0.000 2.562 43 S HA 0.195 4.668 4.470 0.005 0.000 0.274 43 S C -1.527 172.785 174.600 -0.479 0.000 1.160 43 S CA -0.698 56.912 58.200 -0.983 0.000 0.933 43 S CB 1.537 63.638 63.200 -1.832 0.000 1.100 43 S HN 1.010 nan 8.310 nan 0.000 0.468 44 Q N 2.868 122.436 119.800 -0.386 0.000 2.263 44 Q HA 0.203 4.546 4.340 0.005 0.000 0.289 44 Q C -0.494 175.172 176.000 -0.557 0.000 1.061 44 Q CA 0.274 55.680 55.803 -0.662 0.000 0.927 44 Q CB 0.417 28.826 28.738 -0.549 0.000 1.154 44 Q HN 0.668 nan 8.270 nan 0.000 0.378 45 S N 2.678 118.031 115.700 -0.577 0.000 2.533 45 S HA 0.354 4.827 4.470 0.005 0.000 0.282 45 S C 0.894 175.349 174.600 -0.243 0.000 1.304 45 S CA 0.349 58.338 58.200 -0.352 0.000 1.063 45 S CB 0.896 63.915 63.200 -0.303 0.000 0.881 45 S HN 0.991 nan 8.310 nan 0.000 0.493 46 G N 2.263 110.970 108.800 -0.155 0.000 2.259 46 G HA2 -0.303 3.660 3.960 0.005 0.000 0.217 46 G HA3 -0.303 3.660 3.960 0.005 0.000 0.217 46 G C 0.917 175.743 174.900 -0.123 0.000 1.001 46 G CA 0.526 45.562 45.100 -0.107 0.000 0.627 46 G HN 0.902 nan 8.290 nan 0.000 0.501 47 T N -1.361 113.079 114.554 -0.189 0.000 3.057 47 T HA 0.350 4.703 4.350 0.005 0.000 0.254 47 T C 1.263 175.875 174.700 -0.146 0.000 1.094 47 T CA 1.290 63.287 62.100 -0.172 0.000 1.088 47 T CB 0.039 68.777 68.868 -0.216 0.000 0.934 47 T HN 0.634 nan 8.240 nan 0.000 0.497 48 E N 0.046 120.150 120.200 -0.159 0.000 3.426 48 E HA -0.216 4.137 4.350 0.005 0.000 0.291 48 E C 0.100 176.659 176.600 -0.068 0.000 0.898 48 E CA 1.299 57.664 56.400 -0.057 0.000 0.970 48 E CB -1.670 28.048 29.700 0.031 0.000 1.489 48 E HN 0.803 nan 8.360 nan 0.000 0.461 49 K N 0.457 120.719 120.400 -0.231 0.000 2.253 49 K HA 0.318 4.641 4.320 0.005 0.000 0.277 49 K C -0.868 175.504 176.600 -0.379 0.000 1.053 49 K CA -0.419 55.757 56.287 -0.185 0.000 0.892 49 K CB 0.560 32.965 32.500 -0.159 0.000 1.102 49 K HN -0.078 nan 8.250 nan 0.000 0.469 50 W N 5.027 126.250 121.300 -0.129 0.000 2.551 50 W HA 0.439 5.101 4.660 0.005 0.000 0.330 50 W C -0.296 176.109 176.519 -0.190 0.000 1.063 50 W CA -0.878 56.368 57.345 -0.165 0.000 1.222 50 W CB 1.428 30.847 29.460 -0.068 0.000 1.349 50 W HN 0.238 nan 8.180 nan 0.000 0.536 51 M N 2.985 122.562 119.600 -0.039 0.000 2.658 51 M HA 0.448 4.931 4.480 0.005 0.000 0.295 51 M C -2.480 173.973 176.300 0.255 0.000 1.248 51 M CA -2.881 52.381 55.300 -0.063 0.000 0.843 51 M CB 1.319 33.665 32.600 -0.422 0.000 1.749 51 M HN 0.030 nan 8.290 nan 0.000 0.464 52 P HA 0.439 nan 4.420 nan 0.000 0.272 52 P C -1.311 176.363 177.300 0.624 0.000 1.223 52 P CA -0.224 63.141 63.100 0.441 0.000 0.784 52 P CB 0.606 32.523 31.700 0.362 0.000 0.923 53 A N 1.448 124.577 122.820 0.516 0.000 2.532 53 A HA 0.770 5.093 4.320 0.005 0.000 0.290 53 A C -0.922 176.846 177.584 0.306 0.000 1.143 53 A CA -0.418 51.858 52.037 0.399 0.000 0.728 53 A CB 0.970 20.231 19.000 0.435 0.000 1.317 53 A HN 0.389 nan 8.150 nan 0.000 0.414 54 T N 0.903 115.546 114.554 0.148 0.000 2.770 54 T HA 0.575 4.928 4.350 0.005 0.000 0.283 54 T C -0.986 173.683 174.700 -0.051 0.000 0.988 54 T CA -0.243 61.902 62.100 0.076 0.000 0.957 54 T CB 0.997 69.882 68.868 0.029 0.000 0.930 54 T HN 0.555 nan 8.240 nan 0.000 0.443 55 V N 6.077 125.917 119.914 -0.122 0.000 2.588 55 V HA 0.414 4.537 4.120 0.005 0.000 0.304 55 V C -2.249 173.731 176.094 -0.190 0.000 1.042 55 V CA -2.174 59.907 62.300 -0.364 0.000 0.877 55 V CB 2.008 33.176 31.823 -1.093 0.000 0.996 55 V HN 0.666 nan 8.190 nan 0.000 0.425 56 P HA 0.450 nan 4.420 nan 0.000 0.267 56 P C 0.194 177.413 177.300 -0.135 0.000 1.200 56 P CA 0.522 63.523 63.100 -0.165 0.000 0.772 56 P CB 0.748 32.398 31.700 -0.084 0.000 0.855 57 G N 0.233 108.934 108.800 -0.165 0.000 2.428 57 G HA2 0.588 4.551 3.960 0.005 0.000 0.305 57 G HA3 0.588 4.551 3.960 0.005 0.000 0.305 57 G C -1.569 173.211 174.900 -0.200 0.000 1.260 57 G CA -0.372 44.642 45.100 -0.143 0.000 0.853 57 G HN 0.629 nan 8.290 nan 0.000 0.480 58 T N -2.404 112.021 114.554 -0.215 0.000 2.912 58 T HA 0.541 4.894 4.350 0.005 0.000 0.299 58 T C 1.176 175.687 174.700 -0.316 0.000 1.052 58 T CA 0.166 62.110 62.100 -0.260 0.000 0.996 58 T CB 1.599 70.362 68.868 -0.175 0.000 1.070 58 T HN 0.942 nan 8.240 nan 0.000 0.465 59 V N 1.648 121.320 119.914 -0.403 0.000 2.252 59 V HA -0.320 3.803 4.120 0.005 0.000 0.255 59 V C 2.449 178.161 176.094 -0.638 0.000 1.071 59 V CA 2.565 64.484 62.300 -0.635 0.000 1.050 59 V CB -1.261 29.920 31.823 -1.071 0.000 0.654 59 V HN 1.019 nan 8.190 nan 0.000 0.448 60 H N -0.843 117.912 119.070 -0.525 0.000 2.319 60 H HA -0.207 4.352 4.556 0.005 0.000 0.299 60 H C 2.317 177.463 175.328 -0.303 0.000 1.092 60 H CA 2.031 57.834 56.048 -0.407 0.000 1.302 60 H CB -0.248 29.302 29.762 -0.353 0.000 1.373 60 H HN 0.388 nan 8.280 nan 0.000 0.497 61 Q N 0.725 120.437 119.800 -0.145 0.000 2.124 61 Q HA -0.132 4.211 4.340 0.005 0.000 0.202 61 Q C 1.332 177.221 176.000 -0.185 0.000 0.977 61 Q CA 1.635 57.353 55.803 -0.142 0.000 0.850 61 Q CB -0.160 28.509 28.738 -0.114 0.000 0.901 61 Q HN 0.445 nan 8.270 nan 0.000 0.429 62 D N -0.426 119.786 120.400 -0.312 0.000 2.144 62 D HA -0.124 4.519 4.640 0.005 0.000 0.199 62 D C 1.878 178.090 176.300 -0.147 0.000 0.984 62 D CA 0.970 54.721 54.000 -0.415 0.000 0.834 62 D CB -0.064 40.078 40.800 -1.097 0.000 0.955 62 D HN 0.309 nan 8.370 nan 0.000 0.465 63 L N 0.419 121.575 121.223 -0.112 0.000 2.017 63 L HA -0.131 4.212 4.340 0.005 0.000 0.208 63 L C 2.577 179.509 176.870 0.103 0.000 1.073 63 L CA 0.726 55.651 54.840 0.141 0.000 0.745 63 L CB -0.349 41.727 42.059 0.027 0.000 0.894 63 L HN -0.016 nan 8.230 nan 0.000 0.432 64 I N -0.068 120.500 120.570 -0.003 0.000 2.151 64 I HA -0.347 3.826 4.170 0.005 0.000 0.243 64 I C 2.804 178.914 176.117 -0.011 0.000 1.080 64 I CA 1.744 63.045 61.300 0.000 0.000 1.339 64 I CB -0.424 37.550 38.000 -0.043 0.000 1.039 64 I HN 0.371 nan 8.210 nan 0.000 0.409 65 S N -0.196 115.453 115.700 -0.085 0.000 2.440 65 S HA -0.210 4.263 4.470 0.005 0.000 0.238 65 S C 1.582 176.032 174.600 -0.250 0.000 1.010 65 S CA 1.156 59.248 58.200 -0.181 0.000 0.972 65 S CB -0.489 62.543 63.200 -0.280 0.000 0.774 65 S HN 0.501 nan 8.310 nan 0.000 0.501 66 H N 1.393 120.534 119.070 0.119 0.000 2.505 66 H HA 0.313 4.872 4.556 0.005 0.000 0.286 66 H C 0.010 175.407 175.328 0.115 0.000 1.072 66 H CA 0.397 56.526 56.048 0.135 0.000 1.141 66 H CB -0.171 29.705 29.762 0.190 0.000 1.550 66 H HN 0.588 nan 8.280 nan 0.000 0.547 67 E N 0.568 120.864 120.200 0.160 0.000 2.440 67 E HA -0.219 4.134 4.350 0.005 0.000 0.246 67 E C 0.373 177.070 176.600 0.162 0.000 1.165 67 E CA 0.242 56.721 56.400 0.132 0.000 0.726 67 E CB -1.742 28.024 29.700 0.109 0.000 1.271 67 E HN 0.479 nan 8.360 nan 0.000 0.397 68 L N -0.264 121.084 121.223 0.209 0.000 2.628 68 L HA 0.295 4.638 4.340 0.005 0.000 0.229 68 L C 0.658 177.697 176.870 0.282 0.000 1.137 68 L CA 0.361 55.348 54.840 0.245 0.000 0.909 68 L CB 0.331 42.575 42.059 0.308 0.000 1.137 68 L HN 0.104 nan 8.230 nan 0.000 0.470 69 L N -0.389 120.959 121.223 0.209 0.000 2.506 69 L HA 0.468 4.811 4.340 0.005 0.000 0.257 69 L C -2.442 174.513 176.870 0.142 0.000 0.964 69 L CA -1.678 53.286 54.840 0.206 0.000 0.836 69 L CB 2.813 44.956 42.059 0.141 0.000 1.384 69 L HN -0.213 nan 8.230 nan 0.000 0.410 70 P HA 0.067 nan 4.420 nan 0.000 0.274 70 P C -0.900 176.463 177.300 0.106 0.000 1.246 70 P CA -0.463 62.713 63.100 0.126 0.000 0.795 70 P CB 0.468 32.263 31.700 0.158 0.000 1.006 71 N N 2.480 121.242 118.700 0.103 0.000 2.386 71 N HA -0.049 4.694 4.740 0.005 0.000 0.273 71 N C -1.296 174.305 175.510 0.152 0.000 1.331 71 N CA -1.105 52.006 53.050 0.102 0.000 0.891 71 N CB -0.119 38.457 38.487 0.148 0.000 1.139 71 N HN 0.210 nan 8.380 nan 0.000 0.487 72 P HA -0.095 nan 4.420 nan 0.000 0.223 72 P C 0.623 178.129 177.300 0.343 0.000 1.151 72 P CA 1.018 64.156 63.100 0.063 0.000 0.787 72 P CB 0.007 31.625 31.700 -0.137 0.000 0.788 73 F N -2.056 118.081 119.950 0.311 0.000 2.743 73 F HA 0.132 4.662 4.527 0.005 0.000 0.297 73 F C 1.249 177.396 175.800 0.578 0.000 1.131 73 F CA -1.015 57.278 58.000 0.488 0.000 1.426 73 F CB -1.430 37.800 39.000 0.384 0.000 1.116 73 F HN -0.121 nan 8.300 nan 0.000 0.583 74 Y N 0.831 121.456 120.300 0.543 0.000 2.336 74 Y HA 0.458 5.010 4.550 0.005 0.000 0.335 74 Y C 1.163 177.327 175.900 0.441 0.000 1.046 74 Y CA 0.286 58.656 58.100 0.451 0.000 1.198 74 Y CB 0.309 38.955 38.460 0.310 0.000 1.182 74 Y HN 0.303 nan 8.280 nan 0.000 0.502 75 G N 4.787 113.577 108.800 -0.017 0.000 2.602 75 G HA2 -0.329 3.634 3.960 0.005 0.000 0.310 75 G HA3 -0.329 3.634 3.960 0.005 0.000 0.310 75 G C 0.497 175.573 174.900 0.294 0.000 1.183 75 G CA 0.665 45.798 45.100 0.055 0.000 0.979 75 G HN 0.553 nan 8.290 nan 0.000 0.545 76 M N 1.962 121.701 119.600 0.232 0.000 2.475 76 M HA 0.244 4.727 4.480 0.005 0.000 0.283 76 M C 1.480 177.886 176.300 0.177 0.000 1.165 76 M CA -0.095 55.313 55.300 0.181 0.000 0.976 76 M CB -0.204 32.483 32.600 0.145 0.000 1.428 76 M HN 0.407 nan 8.290 nan 0.000 0.495 77 N N 1.032 119.870 118.700 0.230 0.000 2.609 77 N HA -0.125 4.618 4.740 0.005 0.000 0.190 77 N C 1.507 177.109 175.510 0.154 0.000 1.157 77 N CA 0.524 53.702 53.050 0.213 0.000 0.918 77 N CB -0.015 38.632 38.487 0.267 0.000 0.978 77 N HN 0.528 nan 8.380 nan 0.000 0.448 78 E N 1.213 121.481 120.200 0.112 0.000 2.028 78 E HA -0.145 4.208 4.350 0.005 0.000 0.191 78 E C 1.697 178.327 176.600 0.050 0.000 0.988 78 E CA 0.969 57.392 56.400 0.038 0.000 0.799 78 E CB 0.092 29.773 29.700 -0.031 0.000 0.755 78 E HN 0.126 nan 8.360 nan 0.000 0.447 79 K N 0.505 120.946 120.400 0.069 0.000 2.209 79 K HA -0.142 4.181 4.320 0.005 0.000 0.204 79 K C 1.777 178.459 176.600 0.136 0.000 1.048 79 K CA 1.043 57.381 56.287 0.086 0.000 0.940 79 K CB 0.077 32.621 32.500 0.074 0.000 0.729 79 K HN 0.036 nan 8.250 nan 0.000 0.451 80 K N 0.575 121.068 120.400 0.156 0.000 2.504 80 K HA -0.040 4.283 4.320 0.005 0.000 0.195 80 K C 1.724 178.510 176.600 0.309 0.000 1.036 80 K CA 0.789 57.208 56.287 0.220 0.000 0.984 80 K CB 0.122 32.740 32.500 0.197 0.000 0.788 80 K HN 0.394 nan 8.250 nan 0.000 0.488 81 I N -3.260 117.423 120.570 0.187 0.000 4.154 81 I HA 0.056 4.229 4.170 0.005 0.000 0.334 81 I C 1.227 177.268 176.117 -0.126 0.000 1.371 81 I CA -0.215 61.120 61.300 0.058 0.000 1.110 81 I CB 0.364 38.389 38.000 0.042 0.000 1.085 81 I HN -0.173 nan 8.210 nan 0.000 0.398 82 Q N 1.872 121.690 119.800 0.031 0.000 2.224 82 Q HA -0.108 4.235 4.340 0.005 0.000 0.203 82 Q C 1.902 177.920 176.000 0.030 0.000 0.970 82 Q CA 1.695 57.512 55.803 0.024 0.000 0.865 82 Q CB -0.482 28.310 28.738 0.090 0.000 0.922 82 Q HN 0.909 nan 8.270 nan 0.000 0.445 83 W N 0.338 121.696 121.300 0.097 0.000 2.387 83 W HA -0.106 4.557 4.660 0.005 0.000 0.272 83 W C 1.266 177.867 176.519 0.137 0.000 1.224 83 W CA 0.563 57.968 57.345 0.099 0.000 1.210 83 W CB -1.078 28.432 29.460 0.083 0.000 1.125 83 W HN -0.125 nan 8.180 nan 0.000 0.572 84 V N 2.617 122.146 119.914 -0.642 0.000 2.427 84 V HA -0.320 3.803 4.120 0.005 0.000 0.248 84 V C 2.681 178.770 176.094 -0.009 0.000 1.051 84 V CA 2.585 64.505 62.300 -0.633 0.000 1.048 84 V CB -1.034 30.120 31.823 -1.114 0.000 0.666 84 V HN 0.295 nan 8.190 nan 0.000 0.456 85 E N 0.358 120.555 120.200 -0.004 0.000 2.338 85 E HA -0.208 4.144 4.350 0.005 0.000 0.197 85 E C 1.483 178.166 176.600 0.139 0.000 1.007 85 E CA 1.242 57.689 56.400 0.079 0.000 0.849 85 E CB -0.349 29.360 29.700 0.015 0.000 0.774 85 E HN 0.588 nan 8.360 nan 0.000 0.506 86 N N 0.644 119.439 118.700 0.160 0.000 2.424 86 N HA 0.009 4.751 4.740 0.005 0.000 0.178 86 N C 0.074 175.652 175.510 0.113 0.000 1.060 86 N CA 0.531 53.672 53.050 0.152 0.000 0.901 86 N CB 0.263 38.853 38.487 0.172 0.000 0.979 86 N HN 0.229 nan 8.380 nan 0.000 0.451 87 E N 0.998 121.258 120.200 0.100 0.000 2.250 87 E HA 0.227 4.580 4.350 0.005 0.000 0.265 87 E C -0.494 175.934 176.600 -0.287 0.000 1.033 87 E CA -0.348 55.946 56.400 -0.178 0.000 0.888 87 E CB 0.988 30.395 29.700 -0.489 0.000 1.151 87 E HN 0.024 nan 8.360 nan 0.000 0.412 88 D N 0.144 120.291 120.400 -0.422 0.000 2.277 88 D HA 0.435 5.078 4.640 0.005 0.000 0.250 88 D C -0.583 175.292 176.300 -0.708 0.000 1.032 88 D CA -0.141 53.652 54.000 -0.344 0.000 0.947 88 D CB 0.682 41.370 40.800 -0.186 0.000 1.159 88 D HN 0.224 nan 8.370 nan 0.000 0.460 89 W N 0.175 121.383 121.300 -0.152 0.000 2.998 89 W HA 0.356 5.019 4.660 0.005 0.000 0.335 89 W C -0.139 176.399 176.519 0.032 0.000 1.110 89 W CA -0.733 56.593 57.345 -0.032 0.000 1.230 89 W CB 1.472 31.011 29.460 0.131 0.000 1.405 89 W HN 0.035 nan 8.180 nan 0.000 0.493 90 E N 1.727 122.040 120.200 0.189 0.000 2.238 90 E HA 0.508 4.861 4.350 0.005 0.000 0.267 90 E C -1.651 175.202 176.600 0.422 0.000 0.887 90 E CA -1.208 55.359 56.400 0.279 0.000 0.769 90 E CB 2.543 32.325 29.700 0.136 0.000 1.187 90 E HN 0.359 nan 8.360 nan 0.000 0.416 91 Y N 1.026 121.740 120.300 0.691 0.000 2.462 91 Y HA 0.435 4.988 4.550 0.005 0.000 0.346 91 Y C -0.021 176.247 175.900 0.614 0.000 0.976 91 Y CA -0.873 57.707 58.100 0.800 0.000 1.044 91 Y CB 2.008 40.959 38.460 0.819 0.000 1.230 91 Y HN 0.477 nan 8.280 nan 0.000 0.455 92 R N 0.551 121.340 120.500 0.482 0.000 2.739 92 R HA 0.913 5.256 4.340 0.005 0.000 0.271 92 R C -1.781 174.324 176.300 -0.326 0.000 1.010 92 R CA -0.839 55.118 56.100 -0.238 0.000 0.897 92 R CB 2.458 32.042 30.300 -1.194 0.000 1.236 92 R HN 0.613 nan 8.270 nan 0.000 0.466 93 T N -0.066 114.154 114.554 -0.557 0.000 2.830 93 T HA 0.494 4.847 4.350 0.005 0.000 0.322 93 T C -1.471 173.062 174.700 -0.279 0.000 1.501 93 T CA -0.457 61.291 62.100 -0.586 0.000 1.036 93 T CB 1.945 70.009 68.868 -1.340 0.000 1.379 93 T HN 0.643 nan 8.240 nan 0.000 0.493 94 S N 1.227 116.820 115.700 -0.179 0.000 2.599 94 S HA 0.990 5.463 4.470 0.005 0.000 0.294 94 S C -1.494 173.099 174.600 -0.013 0.000 1.094 94 S CA -0.716 57.366 58.200 -0.197 0.000 0.931 94 S CB 1.208 64.229 63.200 -0.299 0.000 1.093 94 S HN 0.728 nan 8.310 nan 0.000 0.488 95 F N -0.916 118.908 119.950 -0.210 0.000 2.713 95 F HA 0.698 5.228 4.527 0.005 0.000 0.311 95 F C -1.727 174.017 175.800 -0.093 0.000 1.141 95 F CA -1.314 56.616 58.000 -0.117 0.000 0.939 95 F CB 0.702 39.661 39.000 -0.067 0.000 1.325 95 F HN 0.274 nan 8.300 nan 0.000 0.453 96 I N 2.772 123.398 120.570 0.092 0.000 2.460 96 I HA 0.619 4.791 4.170 0.005 0.000 0.298 96 I C -0.628 175.551 176.117 0.104 0.000 0.989 96 I CA -0.990 60.311 61.300 0.001 0.000 1.173 96 I CB 1.743 39.744 38.000 0.001 0.000 1.338 96 I HN 0.530 nan 8.210 nan 0.000 0.456 97 V N 4.536 124.473 119.914 0.038 0.000 2.656 97 V HA 0.409 4.532 4.120 0.005 0.000 0.307 97 V C 0.169 176.260 176.094 -0.007 0.000 1.051 97 V CA -0.604 61.739 62.300 0.072 0.000 0.893 97 V CB 2.218 34.149 31.823 0.180 0.000 0.999 97 V HN 0.926 nan 8.190 nan 0.000 0.426 98 S N 2.037 117.704 115.700 -0.055 0.000 2.687 98 S HA 0.378 4.851 4.470 0.005 0.000 0.283 98 S C 0.894 175.469 174.600 -0.043 0.000 1.170 98 S CA -0.324 57.842 58.200 -0.058 0.000 1.008 98 S CB 1.617 64.765 63.200 -0.086 0.000 1.026 98 S HN 0.820 nan 8.310 nan 0.000 0.541 99 E N 0.704 120.884 120.200 -0.032 0.000 2.118 99 E HA -0.191 4.162 4.350 0.005 0.000 0.195 99 E C 2.272 178.856 176.600 -0.026 0.000 0.992 99 E CA 1.567 57.954 56.400 -0.021 0.000 0.804 99 E CB -0.447 29.242 29.700 -0.018 0.000 0.741 99 E HN 0.893 nan 8.360 nan 0.000 0.458 100 E N 0.807 120.979 120.200 -0.046 0.000 2.072 100 E HA -0.215 4.138 4.350 0.005 0.000 0.190 100 E C 1.762 178.323 176.600 -0.065 0.000 0.982 100 E CA 1.318 57.688 56.400 -0.051 0.000 0.803 100 E CB -0.673 28.991 29.700 -0.060 0.000 0.755 100 E HN 0.416 nan 8.360 nan 0.000 0.453 101 Q N -0.947 118.779 119.800 -0.123 0.000 2.124 101 Q HA -0.038 4.305 4.340 0.005 0.000 0.202 101 Q C 2.227 178.258 176.000 0.051 0.000 0.977 101 Q CA 1.202 56.899 55.803 -0.176 0.000 0.850 101 Q CB -0.086 28.336 28.738 -0.527 0.000 0.901 101 Q HN 0.408 nan 8.270 nan 0.000 0.429 102 L N 1.055 122.307 121.223 0.049 0.000 2.275 102 L HA -0.094 4.249 4.340 0.005 0.000 0.215 102 L C 1.271 178.168 176.870 0.044 0.000 1.119 102 L CA 1.420 56.308 54.840 0.079 0.000 0.790 102 L CB -0.282 41.808 42.059 0.052 0.000 0.919 102 L HN 0.220 nan 8.230 nan 0.000 0.443 103 N N -0.507 118.204 118.700 0.020 0.000 2.383 103 N HA 0.000 4.743 4.740 0.005 0.000 0.192 103 N C 0.013 175.523 175.510 0.000 0.000 1.141 103 N CA -0.095 52.958 53.050 0.006 0.000 0.851 103 N CB 0.346 38.832 38.487 -0.003 0.000 0.976 103 N HN 0.176 nan 8.380 nan 0.000 0.465 104 R N 1.352 121.861 120.500 0.016 0.000 2.594 104 R HA 0.026 4.369 4.340 0.005 0.000 0.272 104 R C 0.836 177.087 176.300 -0.081 0.000 1.074 104 R CA -0.129 55.964 56.100 -0.012 0.000 1.105 104 R CB 0.351 30.675 30.300 0.041 0.000 1.008 104 R HN 0.065 nan 8.270 nan 0.000 0.472 105 D N 0.435 120.761 120.400 -0.123 0.000 2.182 105 D HA -0.062 4.580 4.640 0.005 0.000 0.201 105 D C 0.857 176.994 176.300 -0.272 0.000 0.986 105 D CA 1.541 55.453 54.000 -0.147 0.000 0.847 105 D CB 0.169 40.907 40.800 -0.103 0.000 0.942 105 D HN 0.654 nan 8.370 nan 0.000 0.467 106 G N -0.828 107.621 108.800 -0.586 0.000 2.696 106 G HA2 0.636 4.599 3.960 0.005 0.000 0.295 106 G HA3 0.636 4.599 3.960 0.005 0.000 0.295 106 G C -1.328 173.131 174.900 -0.736 0.000 1.398 106 G CA -0.626 43.989 45.100 -0.809 0.000 0.920 106 G HN 0.029 nan 8.290 nan 0.000 0.492 107 I N 0.667 121.041 120.570 -0.327 0.000 2.571 107 I HA 0.275 4.448 4.170 0.005 0.000 0.286 107 I C -0.708 175.367 176.117 -0.070 0.000 1.134 107 I CA -0.566 60.604 61.300 -0.218 0.000 1.052 107 I CB 2.358 40.221 38.000 -0.229 0.000 1.237 107 I HN 0.333 nan 8.210 nan 0.000 0.435 108 Q N 4.754 124.552 119.800 -0.003 0.000 2.282 108 Q HA 0.601 4.944 4.340 0.005 0.000 0.260 108 Q C -1.158 174.774 176.000 -0.113 0.000 0.964 108 Q CA -0.993 54.813 55.803 0.005 0.000 0.880 108 Q CB 3.264 32.038 28.738 0.059 0.000 1.286 108 Q HN 0.422 nan 8.270 nan 0.000 0.445 109 L N 3.471 124.644 121.223 -0.084 0.000 2.282 109 L HA 0.494 4.837 4.340 0.005 0.000 0.288 109 L C -1.484 175.300 176.870 -0.144 0.000 1.033 109 L CA -0.172 54.571 54.840 -0.161 0.000 0.807 109 L CB 0.888 42.883 42.059 -0.105 0.000 1.209 109 L HN 0.513 nan 8.230 nan 0.000 0.423 110 I N 5.618 126.046 120.570 -0.238 0.000 2.406 110 I HA 0.359 4.532 4.170 0.005 0.000 0.290 110 I C -0.942 174.999 176.117 -0.294 0.000 0.999 110 I CA -0.021 61.194 61.300 -0.142 0.000 1.124 110 I CB 1.352 39.310 38.000 -0.071 0.000 1.289 110 I HN 0.353 nan 8.210 nan 0.000 0.441 111 F N 4.692 124.689 119.950 0.077 0.000 2.361 111 F HA 0.345 4.874 4.527 0.005 0.000 0.364 111 F C 1.441 177.249 175.800 0.013 0.000 1.120 111 F CA -0.356 57.691 58.000 0.077 0.000 1.102 111 F CB 1.000 40.100 39.000 0.167 0.000 1.183 111 F HN 0.551 nan 8.300 nan 0.000 0.476 112 E N 2.114 122.358 120.200 0.072 0.000 2.274 112 E HA 0.113 4.466 4.350 0.005 0.000 0.194 112 E C 0.811 177.325 176.600 -0.143 0.000 0.996 112 E CA 0.410 56.787 56.400 -0.038 0.000 0.840 112 E CB 0.280 29.927 29.700 -0.088 0.000 0.772 112 E HN 0.744 nan 8.360 nan 0.000 0.491 113 G N 0.395 109.132 108.800 -0.105 0.000 2.750 113 G HA2 0.466 4.429 3.960 0.005 0.000 0.298 113 G HA3 0.466 4.429 3.960 0.005 0.000 0.298 113 G C -1.580 173.461 174.900 0.234 0.000 1.412 113 G CA -0.790 44.250 45.100 -0.100 0.000 1.078 113 G HN -0.044 nan 8.290 nan 0.000 0.573 114 L N 2.095 123.583 121.223 0.442 0.000 2.343 114 L HA 0.437 4.780 4.340 0.005 0.000 0.278 114 L C -1.093 176.007 176.870 0.384 0.000 0.996 114 L CA -0.882 54.206 54.840 0.414 0.000 0.831 114 L CB 2.350 44.523 42.059 0.191 0.000 1.232 114 L HN 0.498 nan 8.230 nan 0.000 0.413 115 D N 1.769 122.356 120.400 0.311 0.000 2.467 115 D HA 0.349 4.992 4.640 0.005 0.000 0.220 115 D C 0.126 176.482 176.300 0.094 0.000 1.103 115 D CA 0.006 53.995 54.000 -0.018 0.000 0.886 115 D CB 1.279 41.887 40.800 -0.319 0.000 1.025 115 D HN 0.508 nan 8.370 nan 0.000 0.514 116 T N 2.102 116.756 114.554 0.166 0.000 3.545 116 T HA 0.064 4.417 4.350 0.005 0.000 0.274 116 T C -0.290 174.315 174.700 -0.157 0.000 0.989 116 T CA 0.034 62.069 62.100 -0.108 0.000 1.129 116 T CB -0.107 68.545 68.868 -0.360 0.000 1.165 116 T HN 0.202 nan 8.240 nan 0.000 0.436 117 Y N 2.612 123.053 120.300 0.235 0.000 2.600 117 Y HA 0.678 5.231 4.550 0.005 0.000 0.351 117 Y C 0.205 176.252 175.900 0.245 0.000 1.042 117 Y CA -1.049 57.183 58.100 0.220 0.000 1.333 117 Y CB 0.255 38.866 38.460 0.251 0.000 1.172 117 Y HN 0.222 nan 8.280 nan 0.000 0.517 118 A N 3.010 125.900 122.820 0.117 0.000 2.332 118 A HA 0.496 4.819 4.320 0.005 0.000 0.300 118 A C -1.119 176.353 177.584 -0.186 0.000 1.153 118 A CA -0.947 50.957 52.037 -0.221 0.000 0.764 118 A CB 0.537 19.195 19.000 -0.571 0.000 1.174 118 A HN 0.518 nan 8.150 nan 0.000 0.467 119 D N 2.054 122.407 120.400 -0.079 0.000 2.295 119 D HA 0.392 5.034 4.640 0.005 0.000 0.248 119 D C -0.322 175.784 176.300 -0.323 0.000 1.154 119 D CA 0.245 54.138 54.000 -0.179 0.000 0.857 119 D CB 1.759 42.547 40.800 -0.020 0.000 1.117 119 D HN 0.174 nan 8.370 nan 0.000 0.468 120 V N 3.816 123.460 119.914 -0.451 0.000 2.370 120 V HA 0.274 4.397 4.120 0.005 0.000 0.283 120 V C -0.682 175.198 176.094 -0.357 0.000 1.023 120 V CA -0.671 61.454 62.300 -0.292 0.000 0.857 120 V CB 0.426 32.078 31.823 -0.285 0.000 0.985 120 V HN 0.351 nan 8.190 nan 0.000 0.443 121 Y N 4.959 125.363 120.300 0.173 0.000 2.364 121 Y HA 0.730 5.283 4.550 0.005 0.000 0.340 121 Y C -0.319 175.719 175.900 0.230 0.000 0.975 121 Y CA -0.919 57.285 58.100 0.173 0.000 1.089 121 Y CB 1.962 40.518 38.460 0.160 0.000 1.192 121 Y HN 0.527 nan 8.280 nan 0.000 0.454 122 L N 4.493 125.911 121.223 0.325 0.000 2.376 122 L HA 0.540 4.883 4.340 0.005 0.000 0.275 122 L C -0.577 176.421 176.870 0.212 0.000 0.987 122 L CA -0.642 54.369 54.840 0.284 0.000 0.828 122 L CB 1.112 43.326 42.059 0.258 0.000 1.249 122 L HN 0.730 nan 8.230 nan 0.000 0.409 123 N N 4.261 123.075 118.700 0.190 0.000 2.725 123 N HA -0.204 4.538 4.740 0.005 0.000 0.251 123 N C 0.982 176.548 175.510 0.094 0.000 1.031 123 N CA 1.388 54.512 53.050 0.123 0.000 0.720 123 N CB -1.274 37.262 38.487 0.083 0.000 0.930 123 N HN 1.298 nan 8.380 nan 0.000 0.543 124 G N -1.788 107.065 108.800 0.089 0.000 2.184 124 G HA2 -0.317 3.646 3.960 0.005 0.000 0.264 124 G HA3 -0.317 3.646 3.960 0.005 0.000 0.264 124 G C 0.039 175.010 174.900 0.119 0.000 0.975 124 G CA 0.758 45.892 45.100 0.057 0.000 0.642 124 G HN 0.959 nan 8.290 nan 0.000 0.536 125 S N -0.326 115.476 115.700 0.170 0.000 2.437 125 S HA 0.630 5.103 4.470 0.005 0.000 0.305 125 S C 0.117 174.848 174.600 0.218 0.000 1.109 125 S CA -0.680 57.618 58.200 0.163 0.000 1.099 125 S CB 1.067 64.335 63.200 0.113 0.000 1.004 125 S HN 1.162 nan 8.310 nan 0.000 0.475 126 L N 7.132 128.462 121.223 0.177 0.000 2.485 126 L HA 0.298 4.641 4.340 0.005 0.000 0.279 126 L C 0.545 177.376 176.870 -0.065 0.000 1.124 126 L CA 0.544 55.353 54.840 -0.052 0.000 0.888 126 L CB -0.249 41.785 42.059 -0.040 0.000 1.217 126 L HN 0.853 nan 8.230 nan 0.000 0.464 127 L N 5.035 126.202 121.223 -0.093 0.000 2.307 127 L HA 0.192 4.535 4.340 0.005 0.000 0.211 127 L C -0.043 176.774 176.870 -0.088 0.000 1.099 127 L CA 0.201 55.021 54.840 -0.033 0.000 0.816 127 L CB -0.050 42.037 42.059 0.046 0.000 0.952 127 L HN 0.582 nan 8.230 nan 0.000 0.455 128 L N -0.449 120.662 121.223 -0.187 0.000 2.643 128 L HA 0.302 4.645 4.340 0.005 0.000 0.257 128 L C -1.621 175.075 176.870 -0.291 0.000 0.922 128 L CA -0.424 54.270 54.840 -0.243 0.000 0.909 128 L CB 1.632 43.500 42.059 -0.318 0.000 1.424 128 L HN -0.105 nan 8.230 nan 0.000 0.422 129 K N 4.449 124.707 120.400 -0.237 0.000 2.473 129 K HA 0.777 5.100 4.320 0.005 0.000 0.246 129 K C -0.489 175.992 176.600 -0.198 0.000 1.011 129 K CA -0.465 55.718 56.287 -0.173 0.000 0.984 129 K CB 1.586 34.037 32.500 -0.081 0.000 1.250 129 K HN 0.693 nan 8.250 nan 0.000 0.454 130 A N 2.366 125.012 122.820 -0.290 0.000 2.340 130 A HA 0.230 4.553 4.320 0.005 0.000 0.268 130 A C 0.162 177.701 177.584 -0.075 0.000 1.100 130 A CA -0.238 51.583 52.037 -0.361 0.000 0.803 130 A CB 0.224 18.952 19.000 -0.454 0.000 1.043 130 A HN 0.820 nan 8.150 nan 0.000 0.488 131 D N -0.105 120.304 120.400 0.014 0.000 2.672 131 D HA 0.099 4.742 4.640 0.005 0.000 0.287 131 D C -0.728 175.506 176.300 -0.111 0.000 1.559 131 D CA -0.273 53.691 54.000 -0.060 0.000 0.796 131 D CB -0.294 40.581 40.800 0.125 0.000 1.181 131 D HN 0.266 nan 8.370 nan 0.000 0.458 132 N N 1.058 119.739 118.700 -0.030 0.000 2.616 132 N HA 0.119 4.862 4.740 0.005 0.000 0.281 132 N C 0.225 175.673 175.510 -0.103 0.000 1.145 132 N CA -0.293 52.709 53.050 -0.080 0.000 0.919 132 N CB 1.674 40.161 38.487 -0.001 0.000 1.509 132 N HN 0.072 nan 8.380 nan 0.000 0.537 133 M N 2.743 122.129 119.600 -0.357 0.000 2.279 133 M HA 0.023 4.506 4.480 0.005 0.000 0.264 133 M C -0.185 176.137 176.300 0.038 0.000 1.062 133 M CA 1.716 56.822 55.300 -0.323 0.000 1.099 133 M CB 0.014 32.124 32.600 -0.816 0.000 1.394 133 M HN 0.364 nan 8.290 nan 0.000 0.426 134 F N -0.137 119.938 119.950 0.208 0.000 2.693 134 F HA 0.306 4.836 4.527 0.005 0.000 0.303 134 F C 0.008 175.818 175.800 0.016 0.000 1.097 134 F CA -0.391 57.775 58.000 0.277 0.000 1.330 134 F CB -0.455 38.743 39.000 0.331 0.000 1.067 134 F HN -0.202 nan 8.300 nan 0.000 0.565 135 V N -0.283 119.538 119.914 -0.155 0.000 2.604 135 V HA 0.738 4.861 4.120 0.005 0.000 0.305 135 V C 0.480 175.875 176.094 -1.165 0.000 1.043 135 V CA -1.097 60.690 62.300 -0.855 0.000 0.888 135 V CB 1.500 32.878 31.823 -0.741 0.000 0.995 135 V HN 0.182 nan 8.190 nan 0.000 0.429 136 G N 2.635 110.333 108.800 -1.835 0.000 2.400 136 G HA2 0.581 4.544 3.960 0.005 0.000 0.301 136 G HA3 0.581 4.544 3.960 0.005 0.000 0.301 136 G C -1.587 172.879 174.900 -0.724 0.000 1.154 136 G CA -0.195 44.362 45.100 -0.905 0.000 0.852 136 G HN 0.499 nan 8.290 nan 0.000 0.511 137 Y N -0.038 120.228 120.300 -0.058 0.000 2.350 137 Y HA 0.474 5.027 4.550 0.005 0.000 0.338 137 Y C 0.529 176.476 175.900 0.080 0.000 0.961 137 Y CA -0.640 57.471 58.100 0.019 0.000 1.100 137 Y CB 2.624 41.128 38.460 0.074 0.000 1.179 137 Y HN 0.390 nan 8.280 nan 0.000 0.454 138 T N 5.573 120.245 114.554 0.196 0.000 2.786 138 T HA 0.645 4.998 4.350 0.005 0.000 0.283 138 T C -0.684 174.094 174.700 0.131 0.000 0.992 138 T CA -0.608 61.569 62.100 0.128 0.000 0.954 138 T CB 0.255 69.166 68.868 0.072 0.000 0.934 138 T HN 0.367 nan 8.240 nan 0.000 0.440 139 L N 5.789 127.083 121.223 0.118 0.000 2.381 139 L HA 0.490 4.833 4.340 0.005 0.000 0.274 139 L C -2.277 174.641 176.870 0.081 0.000 0.988 139 L CA -2.475 52.432 54.840 0.111 0.000 0.824 139 L CB 2.291 44.439 42.059 0.148 0.000 1.263 139 L HN 0.346 nan 8.230 nan 0.000 0.410 140 P HA 0.069 nan 4.420 nan 0.000 0.282 140 P C 0.182 177.515 177.300 0.054 0.000 1.274 140 P CA -0.125 63.015 63.100 0.066 0.000 0.770 140 P CB 1.631 33.371 31.700 0.066 0.000 0.867 141 V N 0.857 120.792 119.914 0.036 0.000 3.398 141 V HA 0.179 4.302 4.120 0.005 0.000 0.298 141 V C 1.968 178.086 176.094 0.038 0.000 1.496 141 V CA 0.150 62.478 62.300 0.047 0.000 1.044 141 V CB -0.389 31.473 31.823 0.066 0.000 0.880 141 V HN 0.331 nan 8.190 nan 0.000 0.443 142 K N 2.581 122.989 120.400 0.013 0.000 2.063 142 K HA -0.208 4.115 4.320 0.005 0.000 0.208 142 K C 2.243 178.861 176.600 0.031 0.000 1.048 142 K CA 2.372 58.668 56.287 0.015 0.000 0.928 142 K CB -0.232 32.258 32.500 -0.018 0.000 0.713 142 K HN 0.737 nan 8.250 nan 0.000 0.442 143 S N -0.486 115.231 115.700 0.028 0.000 2.474 143 S HA -0.052 4.421 4.470 0.005 0.000 0.235 143 S C 1.709 176.332 174.600 0.038 0.000 0.997 143 S CA 0.952 59.170 58.200 0.030 0.000 0.949 143 S CB 0.272 63.488 63.200 0.027 0.000 0.766 143 S HN 0.150 nan 8.310 nan 0.000 0.517 144 V N 0.770 120.714 119.914 0.050 0.000 3.590 144 V HA 0.378 4.501 4.120 0.005 0.000 0.265 144 V C 0.783 176.914 176.094 0.062 0.000 1.239 144 V CA 0.179 62.515 62.300 0.060 0.000 1.117 144 V CB -0.257 31.611 31.823 0.076 0.000 0.818 144 V HN 0.431 nan 8.190 nan 0.000 0.451 145 L N 0.534 121.796 121.223 0.065 0.000 2.418 145 L HA 0.440 4.783 4.340 0.005 0.000 0.265 145 L C 0.280 177.171 176.870 0.035 0.000 1.143 145 L CA -0.051 54.828 54.840 0.064 0.000 0.809 145 L CB 0.780 42.908 42.059 0.116 0.000 1.124 145 L HN 0.128 nan 8.230 nan 0.000 0.456 146 R N 1.310 121.809 120.500 -0.001 0.000 2.599 146 R HA 0.288 4.631 4.340 0.005 0.000 0.295 146 R C -0.763 175.524 176.300 -0.021 0.000 0.963 146 R CA -1.023 55.070 56.100 -0.011 0.000 0.883 146 R CB 1.999 32.285 30.300 -0.023 0.000 1.171 146 R HN 0.400 nan 8.270 nan 0.000 0.450 147 K N 1.867 122.263 120.400 -0.007 0.000 2.504 147 K HA 0.059 4.382 4.320 0.005 0.000 0.278 147 K C 0.436 177.015 176.600 -0.035 0.000 1.025 147 K CA 1.504 57.783 56.287 -0.014 0.000 1.093 147 K CB 0.144 32.639 32.500 -0.009 0.000 0.873 147 K HN 0.800 nan 8.250 nan 0.000 0.483 148 G N 3.090 111.862 108.800 -0.046 0.000 2.466 148 G HA2 -0.206 3.757 3.960 0.005 0.000 0.218 148 G HA3 -0.206 3.757 3.960 0.005 0.000 0.218 148 G C -0.979 173.846 174.900 -0.125 0.000 1.237 148 G CA -0.534 44.528 45.100 -0.064 0.000 0.954 148 G HN 0.642 nan 8.290 nan 0.000 0.580 149 E N 1.589 121.698 120.200 -0.153 0.000 2.373 149 E HA 0.300 4.653 4.350 0.005 0.000 0.267 149 E C -0.070 176.276 176.600 -0.422 0.000 1.032 149 E CA 0.105 56.328 56.400 -0.295 0.000 0.889 149 E CB 0.500 30.072 29.700 -0.214 0.000 0.984 149 E HN 0.441 nan 8.360 nan 0.000 0.425 150 N N 1.725 119.970 118.700 -0.758 0.000 2.287 150 N HA 0.257 4.999 4.740 0.005 0.000 0.289 150 N C -1.124 173.844 175.510 -0.903 0.000 1.066 150 N CA -0.519 52.067 53.050 -0.773 0.000 0.841 150 N CB 1.696 39.541 38.487 -1.071 0.000 1.599 150 N HN 0.352 nan 8.380 nan 0.000 0.476 151 H N 1.528 120.490 119.070 -0.180 0.000 2.547 151 H HA 0.345 4.904 4.556 0.005 0.000 0.342 151 H C -0.829 174.610 175.328 0.184 0.000 1.048 151 H CA -0.552 55.506 56.048 0.017 0.000 1.204 151 H CB 2.560 32.396 29.762 0.122 0.000 1.493 151 H HN 0.315 nan 8.280 nan 0.000 0.511 152 L N 4.551 125.956 121.223 0.303 0.000 2.325 152 L HA 0.358 4.701 4.340 0.005 0.000 0.281 152 L C -1.712 175.377 176.870 0.364 0.000 1.004 152 L CA -0.591 54.474 54.840 0.374 0.000 0.823 152 L CB 0.626 42.890 42.059 0.343 0.000 1.236 152 L HN 0.400 nan 8.230 nan 0.000 0.415 153 Y N 5.232 125.741 120.300 0.347 0.000 2.409 153 Y HA 0.661 5.214 4.550 0.005 0.000 0.343 153 Y C -0.321 175.861 175.900 0.470 0.000 0.973 153 Y CA -0.643 57.701 58.100 0.407 0.000 1.064 153 Y CB 1.962 40.629 38.460 0.345 0.000 1.207 153 Y HN 0.422 nan 8.280 nan 0.000 0.452 154 I N 3.618 124.550 120.570 0.603 0.000 2.465 154 I HA 0.260 4.433 4.170 0.005 0.000 0.291 154 I C -1.407 174.903 176.117 0.320 0.000 1.014 154 I CA -1.034 60.471 61.300 0.341 0.000 1.093 154 I CB 1.954 40.057 38.000 0.171 0.000 1.267 154 I HN 0.539 nan 8.210 nan 0.000 0.431 155 Y N 6.308 126.634 120.300 0.043 0.000 2.356 155 Y HA 0.494 5.047 4.550 0.005 0.000 0.334 155 Y C -1.108 174.655 175.900 -0.229 0.000 0.958 155 Y CA -0.600 57.520 58.100 0.033 0.000 1.196 155 Y CB 0.827 39.337 38.460 0.082 0.000 1.137 155 Y HN 0.343 nan 8.280 nan 0.000 0.485 156 F N 5.384 125.336 119.950 0.002 0.000 2.350 156 F HA 0.261 4.791 4.527 0.005 0.000 0.365 156 F C 0.370 176.206 175.800 0.060 0.000 1.122 156 F CA -0.657 57.417 58.000 0.124 0.000 1.139 156 F CB 0.247 39.372 39.000 0.209 0.000 1.220 156 F HN 0.440 nan 8.300 nan 0.000 0.499 157 H N 1.267 120.641 119.070 0.506 0.000 2.886 157 H HA -0.020 4.539 4.556 0.005 0.000 0.329 157 H C 0.571 176.122 175.328 0.371 0.000 1.044 157 H CA -0.181 56.118 56.048 0.418 0.000 1.456 157 H CB 1.207 31.154 29.762 0.307 0.000 1.464 157 H HN 0.518 nan 8.280 nan 0.000 0.573 158 S N 4.605 120.524 115.700 0.365 0.000 2.626 158 S HA -0.036 4.437 4.470 0.005 0.000 0.303 158 S C -1.155 173.617 174.600 0.287 0.000 1.256 158 S CA -1.151 57.223 58.200 0.291 0.000 1.069 158 S CB 0.475 63.794 63.200 0.197 0.000 0.807 158 S HN 0.533 nan 8.310 nan 0.000 0.500 159 P HA -0.038 nan 4.420 nan 0.000 0.229 159 P C 1.335 178.778 177.300 0.238 0.000 1.160 159 P CA 0.461 63.791 63.100 0.382 0.000 0.777 159 P CB 0.032 31.951 31.700 0.364 0.000 0.814 160 I N 0.722 121.385 120.570 0.155 0.000 2.188 160 I HA -0.077 4.096 4.170 0.005 0.000 0.237 160 I C 2.614 178.762 176.117 0.052 0.000 1.073 160 I CA 1.234 62.586 61.300 0.086 0.000 1.359 160 I CB -1.455 36.571 38.000 0.044 0.000 1.083 160 I HN -0.028 nan 8.210 nan 0.000 0.412 161 R N 0.538 121.078 120.500 0.067 0.000 2.152 161 R HA -0.207 4.136 4.340 0.005 0.000 0.232 161 R C 2.105 178.406 176.300 0.001 0.000 1.117 161 R CA 0.960 57.088 56.100 0.047 0.000 0.981 161 R CB -0.405 29.939 30.300 0.074 0.000 0.870 161 R HN 0.383 nan 8.270 nan 0.000 0.451 162 Q N 0.868 120.653 119.800 -0.025 0.000 2.181 162 Q HA -0.129 4.214 4.340 0.005 0.000 0.205 162 Q C 1.557 177.428 176.000 -0.214 0.000 0.980 162 Q CA 2.176 57.859 55.803 -0.200 0.000 0.862 162 Q CB 0.079 28.525 28.738 -0.486 0.000 0.905 162 Q HN 0.428 nan 8.270 nan 0.000 0.429 163 T N -3.717 110.771 114.554 -0.110 0.000 3.010 163 T HA 0.225 4.578 4.350 0.005 0.000 0.257 163 T C 1.538 176.182 174.700 -0.093 0.000 1.020 163 T CA -0.096 61.942 62.100 -0.104 0.000 0.938 163 T CB -0.098 68.793 68.868 0.039 0.000 1.049 163 T HN 0.184 nan 8.240 nan 0.000 0.522 164 L N 1.139 122.339 121.223 -0.039 0.000 2.043 164 L HA 0.004 4.347 4.340 0.005 0.000 0.212 164 L C -0.490 176.382 176.870 0.005 0.000 1.075 164 L CA 1.584 56.429 54.840 0.010 0.000 0.752 164 L CB -1.527 40.548 42.059 0.027 0.000 0.891 164 L HN 0.239 nan 8.230 nan 0.000 0.432 165 P HA -0.192 nan 4.420 nan 0.000 0.218 165 P C 1.505 178.726 177.300 -0.132 0.000 1.149 165 P CA 1.116 64.174 63.100 -0.070 0.000 0.817 165 P CB 0.043 31.696 31.700 -0.079 0.000 0.785 166 Q N -1.372 118.298 119.800 -0.217 0.000 2.079 166 Q HA -0.222 4.121 4.340 0.005 0.000 0.200 166 Q C 2.093 177.759 176.000 -0.557 0.000 0.974 166 Q CA 1.306 56.873 55.803 -0.394 0.000 0.840 166 Q CB -0.608 27.821 28.738 -0.514 0.000 0.898 166 Q HN 0.210 nan 8.270 nan 0.000 0.430 167 Y N -0.083 119.846 120.300 -0.617 0.000 2.314 167 Y HA -0.038 4.514 4.550 0.005 0.000 0.293 167 Y C 1.895 177.687 175.900 -0.179 0.000 1.129 167 Y CA 1.249 59.108 58.100 -0.403 0.000 1.201 167 Y CB -0.341 38.035 38.460 -0.140 0.000 0.999 167 Y HN 0.199 nan 8.280 nan 0.000 0.541 168 A N -0.206 122.516 122.820 -0.164 0.000 1.930 168 A HA -0.157 4.166 4.320 0.005 0.000 0.217 168 A C 2.426 179.883 177.584 -0.212 0.000 1.175 168 A CA 1.788 53.713 52.037 -0.187 0.000 0.627 168 A CB -1.307 17.670 19.000 -0.039 0.000 0.815 168 A HN 0.572 nan 8.150 nan 0.000 0.443 169 S N -0.036 115.552 115.700 -0.187 0.000 2.474 169 S HA -0.154 4.319 4.470 0.005 0.000 0.235 169 S C 1.604 176.108 174.600 -0.160 0.000 0.997 169 S CA 1.451 59.563 58.200 -0.147 0.000 0.949 169 S CB -0.593 62.532 63.200 -0.126 0.000 0.766 169 S HN 0.577 nan 8.310 nan 0.000 0.517 170 N N 1.414 119.964 118.700 -0.251 0.000 2.354 170 N HA 0.117 4.860 4.740 0.005 0.000 0.179 170 N C 1.344 176.725 175.510 -0.215 0.000 1.021 170 N CA 1.119 54.017 53.050 -0.253 0.000 0.887 170 N CB -0.590 37.709 38.487 -0.313 0.000 0.974 170 N HN 0.604 nan 8.380 nan 0.000 0.437 171 G N -0.588 108.080 108.800 -0.220 0.000 2.203 171 G HA2 -0.262 3.701 3.960 0.005 0.000 0.263 171 G HA3 -0.262 3.701 3.960 0.005 0.000 0.263 171 G C -0.116 174.825 174.900 0.070 0.000 1.012 171 G CA 1.127 46.177 45.100 -0.082 0.000 0.749 171 G HN 0.617 nan 8.290 nan 0.000 0.512 172 F N -2.615 117.254 119.950 -0.136 0.000 2.725 172 F HA 0.668 5.198 4.527 0.005 0.000 0.309 172 F C -1.224 174.575 175.800 -0.002 0.000 1.132 172 F CA -1.928 56.047 58.000 -0.043 0.000 0.957 172 F CB 0.712 39.730 39.000 0.029 0.000 1.286 172 F HN 0.014 nan 8.300 nan 0.000 0.440 173 N N 1.936 120.843 118.700 0.345 0.000 2.437 173 N HA 0.317 5.060 4.740 0.005 0.000 0.259 173 N C -1.391 174.408 175.510 0.481 0.000 0.983 173 N CA -0.437 52.849 53.050 0.393 0.000 0.937 173 N CB 0.435 39.120 38.487 0.329 0.000 1.122 173 N HN 0.640 nan 8.380 nan 0.000 0.499 174 Y N 3.225 123.701 120.300 0.295 0.000 2.702 174 Y HA 0.076 4.628 4.550 0.005 0.000 0.336 174 Y C -1.149 174.932 175.900 0.301 0.000 1.235 174 Y CA -0.931 57.297 58.100 0.214 0.000 1.492 174 Y CB 0.550 38.942 38.460 -0.114 0.000 1.308 174 Y HN 0.511 nan 8.280 nan 0.000 0.589 175 P HA 0.104 nan 4.420 nan 0.000 0.220 175 P C -0.788 176.589 177.300 0.128 0.000 1.778 175 P CA 0.068 63.315 63.100 0.244 0.000 0.912 175 P CB -0.445 31.243 31.700 -0.019 0.000 1.861 176 A N 1.334 124.119 122.820 -0.059 0.000 2.922 176 A HA 0.148 4.471 4.320 0.005 0.000 0.298 176 A C 1.207 178.404 177.584 -0.645 0.000 1.588 176 A CA -0.325 51.516 52.037 -0.327 0.000 1.288 176 A CB -0.424 18.357 19.000 -0.365 0.000 1.130 176 A HN 0.083 nan 8.150 nan 0.000 0.557 177 D N 1.000 121.214 120.400 -0.310 0.000 2.221 177 D HA -0.144 4.499 4.640 0.005 0.000 0.204 177 D C 1.048 177.172 176.300 -0.295 0.000 0.982 177 D CA 1.149 55.007 54.000 -0.236 0.000 0.857 177 D CB 0.138 40.870 40.800 -0.113 0.000 0.934 177 D HN 0.564 nan 8.370 nan 0.000 0.475 178 N N 0.955 119.328 118.700 -0.544 0.000 2.467 178 N HA -0.085 4.658 4.740 0.005 0.000 0.184 178 N C 0.164 175.257 175.510 -0.695 0.000 1.106 178 N CA 0.257 52.832 53.050 -0.791 0.000 0.892 178 N CB 0.288 37.714 38.487 -1.767 0.000 0.969 178 N HN 0.140 nan 8.380 nan 0.000 0.454 179 D N 0.950 121.081 120.400 -0.448 0.000 2.374 179 D HA 0.009 4.651 4.640 0.005 0.000 0.240 179 D C -0.491 175.824 176.300 0.025 0.000 1.229 179 D CA -0.172 53.694 54.000 -0.224 0.000 0.895 179 D CB -0.160 40.486 40.800 -0.258 0.000 1.046 179 D HN 0.255 nan 8.370 nan 0.000 0.498 180 H N 4.271 123.386 119.070 0.076 0.000 2.923 180 H HA 0.185 4.744 4.556 0.005 0.000 0.251 180 H C -0.022 175.423 175.328 0.194 0.000 1.741 180 H CA -0.246 55.852 56.048 0.084 0.000 1.387 180 H CB 0.098 29.865 29.762 0.007 0.000 1.740 180 H HN 0.333 nan 8.280 nan 0.000 0.544 181 H N 0.787 119.993 119.070 0.227 0.000 3.060 181 H HA -0.033 4.526 4.556 0.005 0.000 0.330 181 H C 0.477 175.874 175.328 0.114 0.000 1.305 181 H CA -0.461 55.675 56.048 0.147 0.000 1.209 181 H CB 1.514 31.362 29.762 0.145 0.000 1.913 181 H HN 0.557 nan 8.280 nan 0.000 0.534 182 E N 2.399 122.585 120.200 -0.025 0.000 2.085 182 E HA -0.118 4.235 4.350 0.005 0.000 0.194 182 E C -0.429 176.133 176.600 -0.063 0.000 0.994 182 E CA 1.076 57.454 56.400 -0.036 0.000 0.801 182 E CB 0.256 29.890 29.700 -0.110 0.000 0.743 182 E HN 0.359 nan 8.360 nan 0.000 0.453 183 K N 0.326 120.823 120.400 0.162 0.000 2.211 183 K HA 0.223 4.546 4.320 0.005 0.000 0.275 183 K C -1.067 175.460 176.600 -0.122 0.000 1.024 183 K CA -0.222 55.902 56.287 -0.271 0.000 0.887 183 K CB 1.089 33.268 32.500 -0.534 0.000 1.084 183 K HN 0.190 nan 8.250 nan 0.000 0.463 184 H N 3.683 122.723 119.070 -0.050 0.000 2.820 184 H HA 0.089 4.648 4.556 0.005 0.000 0.248 184 H C 0.636 175.926 175.328 -0.062 0.000 1.714 184 H CA -0.368 55.665 56.048 -0.024 0.000 1.334 184 H CB 0.094 29.875 29.762 0.033 0.000 1.693 184 H HN 0.387 nan 8.280 nan 0.000 0.548 185 L N 0.909 122.143 121.223 0.018 0.000 2.492 185 L HA -0.092 4.251 4.340 0.005 0.000 0.223 185 L C 2.309 179.124 176.870 -0.090 0.000 1.132 185 L CA 0.347 55.252 54.840 0.109 0.000 0.850 185 L CB -0.144 41.963 42.059 0.079 0.000 0.966 185 L HN 0.561 nan 8.230 nan 0.000 0.454 186 S N 0.358 115.726 115.700 -0.552 0.000 2.383 186 S HA -0.185 4.288 4.470 0.005 0.000 0.229 186 S C 1.943 176.302 174.600 -0.400 0.000 1.030 186 S CA 1.330 58.942 58.200 -0.981 0.000 1.002 186 S CB -1.134 61.418 63.200 -1.080 0.000 0.829 186 S HN 0.374 nan 8.310 nan 0.000 0.467 187 V N -1.974 117.653 119.914 -0.478 0.000 2.913 187 V HA 0.087 4.210 4.120 0.005 0.000 0.260 187 V C 1.834 177.661 176.094 -0.444 0.000 1.098 187 V CA 1.099 63.042 62.300 -0.595 0.000 1.121 187 V CB -1.443 29.642 31.823 -1.229 0.000 0.714 187 V HN 0.371 nan 8.190 nan 0.000 0.487 188 F N 1.013 120.925 119.950 -0.062 0.000 2.664 188 F HA 0.337 4.867 4.527 0.005 0.000 0.296 188 F C 1.374 177.360 175.800 0.309 0.000 1.125 188 F CA 0.234 58.263 58.000 0.048 0.000 1.444 188 F CB -0.131 38.896 39.000 0.045 0.000 1.114 188 F HN 0.080 nan 8.300 nan 0.000 0.576 189 S N 0.886 116.842 115.700 0.426 0.000 2.454 189 S HA 0.407 4.880 4.470 0.005 0.000 0.306 189 S C 0.045 174.813 174.600 0.281 0.000 1.100 189 S CA -0.833 57.605 58.200 0.397 0.000 1.087 189 S CB 1.150 64.596 63.200 0.409 0.000 1.019 189 S HN -0.062 nan 8.310 nan 0.000 0.480 190 R N 3.256 123.850 120.500 0.158 0.000 2.878 190 R HA 0.277 4.620 4.340 0.005 0.000 0.239 190 R C -0.030 176.056 176.300 -0.358 0.000 1.515 190 R CA 0.020 56.144 56.100 0.040 0.000 1.210 190 R CB -1.056 29.274 30.300 0.050 0.000 1.209 190 R HN 0.581 nan 8.270 nan 0.000 0.610 191 K N -0.405 119.854 120.400 -0.235 0.000 2.546 191 K HA 0.450 4.773 4.320 0.005 0.000 0.264 191 K C -1.114 175.505 176.600 0.032 0.000 0.937 191 K CA -0.687 55.392 56.287 -0.347 0.000 0.833 191 K CB 1.954 34.416 32.500 -0.064 0.000 1.378 191 K HN 0.317 nan 8.250 nan 0.000 0.432 192 A N 4.720 127.555 122.820 0.025 0.000 2.550 192 A HA 0.119 4.442 4.320 0.005 0.000 0.263 192 A C -1.946 175.838 177.584 0.332 0.000 1.065 192 A CA -0.648 51.570 52.037 0.303 0.000 0.786 192 A CB -0.369 18.811 19.000 0.301 0.000 0.985 192 A HN 0.625 nan 8.150 nan 0.000 0.518 193 P HA -0.222 nan 4.420 nan 0.000 0.216 193 P C 1.237 178.804 177.300 0.446 0.000 1.150 193 P CA 1.970 65.272 63.100 0.336 0.000 0.843 193 P CB -0.144 31.696 31.700 0.234 0.000 0.787 194 Y N -0.617 119.814 120.300 0.218 0.000 2.497 194 Y HA -0.094 4.459 4.550 0.005 0.000 0.292 194 Y C 2.126 178.114 175.900 0.147 0.000 1.137 194 Y CA 0.911 59.155 58.100 0.240 0.000 1.285 194 Y CB -1.407 37.195 38.460 0.237 0.000 0.991 194 Y HN -0.039 nan 8.280 nan 0.000 0.556 195 S N -0.149 115.184 115.700 -0.613 0.000 2.419 195 S HA -0.269 4.204 4.470 0.005 0.000 0.235 195 S C 1.232 175.563 174.600 -0.448 0.000 1.019 195 S CA 1.092 58.860 58.200 -0.720 0.000 0.982 195 S CB -1.341 61.513 63.200 -0.578 0.000 0.789 195 S HN 0.688 nan 8.310 nan 0.000 0.490 196 Y N 2.698 122.867 120.300 -0.218 0.000 2.502 196 Y HA 0.411 4.963 4.550 0.005 0.000 0.295 196 Y C 1.495 177.247 175.900 -0.247 0.000 1.193 196 Y CA 0.157 58.160 58.100 -0.163 0.000 1.295 196 Y CB -0.406 38.001 38.460 -0.089 0.000 1.059 196 Y HN 0.602 nan 8.280 nan 0.000 0.514 197 G N -0.694 107.995 108.800 -0.184 0.000 2.617 197 G HA2 -0.081 3.882 3.960 0.005 0.000 0.686 197 G HA3 -0.081 3.882 3.960 0.005 0.000 0.686 197 G C -1.333 173.349 174.900 -0.362 0.000 1.214 197 G CA -0.885 43.966 45.100 -0.415 0.000 0.796 197 G HN 0.174 nan 8.290 nan 0.000 0.654 198 W N 0.515 121.470 121.300 -0.575 0.000 2.959 198 W HA 0.349 5.012 4.660 0.005 0.000 0.358 198 W C 0.003 176.289 176.519 -0.388 0.000 1.228 198 W CA 0.268 57.247 57.345 -0.610 0.000 1.183 198 W CB 1.405 30.203 29.460 -1.102 0.000 1.467 198 W HN 0.802 nan 8.180 nan 0.000 0.578 199 D N -0.505 119.655 120.400 -0.399 0.000 2.352 199 D HA -0.077 4.566 4.640 0.005 0.000 0.232 199 D C 0.900 177.406 176.300 0.344 0.000 1.055 199 D CA 0.587 54.598 54.000 0.019 0.000 0.891 199 D CB -0.557 40.291 40.800 0.080 0.000 0.897 199 D HN 0.417 nan 8.370 nan 0.000 0.529 200 W N -1.222 120.414 121.300 0.560 0.000 2.284 200 W HA 0.603 5.266 4.660 0.005 0.000 0.334 200 W C -0.168 176.677 176.519 0.543 0.000 0.917 200 W CA -0.910 56.725 57.345 0.484 0.000 1.621 200 W CB 0.063 29.811 29.460 0.481 0.000 1.129 200 W HN -0.019 nan 8.180 nan 0.000 0.528 201 G N 1.654 110.708 108.800 0.423 0.000 2.533 201 G HA2 0.576 4.539 3.960 0.005 0.000 0.304 201 G HA3 0.576 4.539 3.960 0.005 0.000 0.304 201 G C -1.481 173.276 174.900 -0.238 0.000 1.263 201 G CA -0.921 44.331 45.100 0.254 0.000 0.964 201 G HN 0.103 nan 8.290 nan 0.000 0.479 202 I N 0.514 120.480 120.570 -1.007 0.000 2.428 202 I HA 0.421 4.594 4.170 0.005 0.000 0.289 202 I C 0.617 176.438 176.117 -0.493 0.000 1.019 202 I CA -0.973 59.737 61.300 -0.983 0.000 1.351 202 I CB 0.925 37.940 38.000 -1.642 0.000 1.412 202 I HN 0.452 nan 8.210 nan 0.000 0.513 203 R N 8.230 128.548 120.500 -0.304 0.000 2.288 203 R HA 0.331 4.674 4.340 0.005 0.000 0.330 203 R C -1.174 174.942 176.300 -0.307 0.000 1.069 203 R CA 0.035 55.989 56.100 -0.244 0.000 0.941 203 R CB 0.354 30.604 30.300 -0.083 0.000 0.998 203 R HN 0.697 nan 8.270 nan 0.000 0.452 204 M N 5.726 125.078 119.600 -0.415 0.000 1.949 204 M HA 0.159 4.642 4.480 0.005 0.000 0.234 204 M C -0.984 174.981 176.300 -0.559 0.000 0.855 204 M CA -0.601 54.383 55.300 -0.527 0.000 0.800 204 M CB 2.036 34.256 32.600 -0.634 0.000 1.697 204 M HN 0.254 nan 8.290 nan 0.000 0.357 205 V N 1.494 121.144 119.914 -0.441 0.000 2.359 205 V HA 0.054 4.177 4.120 0.005 0.000 0.248 205 V C 0.734 176.676 176.094 -0.253 0.000 1.091 205 V CA 0.511 62.529 62.300 -0.469 0.000 1.103 205 V CB -0.096 31.415 31.823 -0.519 0.000 1.176 205 V HN 0.681 nan 8.190 nan 0.000 0.488 206 T N 3.510 117.880 114.554 -0.307 0.000 2.910 206 T HA 0.675 5.028 4.350 0.005 0.000 0.279 206 T C 0.018 174.592 174.700 -0.209 0.000 0.989 206 T CA -0.253 61.746 62.100 -0.168 0.000 0.968 206 T CB 1.434 70.154 68.868 -0.246 0.000 1.135 206 T HN 0.640 nan 8.240 nan 0.000 0.562 207 S N -0.962 114.572 115.700 -0.276 0.000 2.607 207 S HA 0.884 5.357 4.470 0.005 0.000 0.273 207 S C -0.297 173.903 174.600 -0.667 0.000 1.148 207 S CA -0.233 57.722 58.200 -0.408 0.000 0.833 207 S CB 1.724 64.746 63.200 -0.297 0.000 1.130 207 S HN 1.329 nan 8.310 nan 0.000 0.470 208 G N -0.332 107.845 108.800 -1.037 0.000 2.369 208 G HA2 0.252 4.215 3.960 0.005 0.000 0.307 208 G HA3 0.252 4.215 3.960 0.005 0.000 0.307 208 G C -1.771 172.837 174.900 -0.486 0.000 1.327 208 G CA -0.718 43.681 45.100 -1.169 0.000 0.963 208 G HN 0.895 nan 8.290 nan 0.000 0.590 209 V N 2.320 121.999 119.914 -0.391 0.000 2.352 209 V HA 0.233 4.356 4.120 0.005 0.000 0.253 209 V C 1.340 177.395 176.094 -0.065 0.000 1.083 209 V CA 0.358 62.602 62.300 -0.094 0.000 0.993 209 V CB -0.144 31.523 31.823 -0.259 0.000 1.111 209 V HN 0.807 nan 8.190 nan 0.000 0.490 210 W N 5.296 126.530 121.300 -0.109 0.000 3.114 210 W HA 0.342 5.005 4.660 0.005 0.000 0.279 210 W C 0.332 176.846 176.519 -0.008 0.000 1.277 210 W CA -0.592 56.703 57.345 -0.083 0.000 1.630 210 W CB 0.148 29.572 29.460 -0.061 0.000 1.087 210 W HN 0.353 nan 8.180 nan 0.000 0.637 211 R N 0.231 120.456 120.500 -0.458 0.000 2.905 211 R HA 0.445 4.788 4.340 0.005 0.000 0.260 211 R C -2.618 173.567 176.300 -0.192 0.000 1.086 211 R CA -2.115 53.740 56.100 -0.409 0.000 0.978 211 R CB 1.014 30.921 30.300 -0.655 0.000 1.215 211 R HN -0.404 nan 8.270 nan 0.000 0.480 212 P HA 0.067 nan 4.420 nan 0.000 0.271 212 P C -0.900 176.355 177.300 -0.075 0.000 1.218 212 P CA -0.205 62.844 63.100 -0.085 0.000 0.780 212 P CB 0.605 32.266 31.700 -0.065 0.000 0.901 213 V N 2.656 122.526 119.914 -0.073 0.000 2.435 213 V HA 0.594 4.717 4.120 0.005 0.000 0.290 213 V C 0.421 176.421 176.094 -0.156 0.000 1.030 213 V CA -0.258 61.937 62.300 -0.175 0.000 0.881 213 V CB 1.335 33.103 31.823 -0.092 0.000 0.983 213 V HN 0.732 nan 8.190 nan 0.000 0.445 214 T N 2.525 116.946 114.554 -0.222 0.000 2.903 214 T HA 0.761 5.114 4.350 0.005 0.000 0.299 214 T C -1.237 173.326 174.700 -0.228 0.000 1.093 214 T CA -0.740 61.258 62.100 -0.169 0.000 1.002 214 T CB 1.924 70.731 68.868 -0.101 0.000 1.127 214 T HN 0.363 nan 8.240 nan 0.000 0.488 215 L N 1.677 122.768 121.223 -0.220 0.000 2.325 215 L HA 0.652 4.995 4.340 0.005 0.000 0.281 215 L C -0.104 176.586 176.870 -0.300 0.000 1.004 215 L CA -0.718 53.929 54.840 -0.322 0.000 0.823 215 L CB 1.447 43.261 42.059 -0.407 0.000 1.236 215 L HN 0.835 nan 8.230 nan 0.000 0.415 216 R N 4.593 124.913 120.500 -0.299 0.000 2.310 216 R HA 0.500 4.843 4.340 0.005 0.000 0.324 216 R C -1.631 174.590 176.300 -0.132 0.000 0.955 216 R CA -0.479 55.558 56.100 -0.106 0.000 0.830 216 R CB 0.687 30.991 30.300 0.007 0.000 1.154 216 R HN 0.503 nan 8.270 nan 0.000 0.458 217 F N 5.958 125.989 119.950 0.135 0.000 2.404 217 F HA 0.383 4.913 4.527 0.005 0.000 0.354 217 F C -0.250 175.629 175.800 0.131 0.000 1.122 217 F CA -0.628 57.413 58.000 0.067 0.000 1.080 217 F CB 0.928 39.942 39.000 0.022 0.000 1.131 217 F HN 0.453 nan 8.300 nan 0.000 0.471 218 Y N -0.573 119.810 120.300 0.138 0.000 2.638 218 Y HA 0.640 5.193 4.550 0.005 0.000 0.335 218 Y C -1.709 174.227 175.900 0.061 0.000 1.155 218 Y CA -1.658 56.490 58.100 0.080 0.000 1.046 218 Y CB 1.192 39.674 38.460 0.038 0.000 1.303 218 Y HN 0.359 nan 8.280 nan 0.000 0.460 219 D N 2.523 123.064 120.400 0.236 0.000 2.252 219 D HA 0.448 5.091 4.640 0.005 0.000 0.245 219 D C 0.672 177.111 176.300 0.232 0.000 1.009 219 D CA -0.074 54.002 54.000 0.127 0.000 0.870 219 D CB 2.041 42.888 40.800 0.079 0.000 1.251 219 D HN 0.743 nan 8.370 nan 0.000 0.460 220 I N -0.701 119.957 120.570 0.147 0.000 4.713 220 I HA -0.374 3.799 4.170 0.005 0.000 0.044 220 I C 0.486 176.723 176.117 0.199 0.000 0.627 220 I CA 1.635 63.014 61.300 0.133 0.000 0.714 220 I CB -1.995 36.054 38.000 0.083 0.000 0.668 220 I HN 0.646 nan 8.210 nan 0.000 0.156 221 A N 0.220 123.171 122.820 0.220 0.000 2.610 221 A HA 0.756 5.079 4.320 0.005 0.000 0.291 221 A C -0.172 177.326 177.584 -0.145 0.000 1.086 221 A CA 0.396 52.487 52.037 0.090 0.000 0.677 221 A CB 1.602 20.612 19.000 0.017 0.000 1.278 221 A HN 0.747 nan 8.150 nan 0.000 0.414 222 T N -1.097 113.270 114.554 -0.311 0.000 2.912 222 T HA 0.709 5.062 4.350 0.005 0.000 0.288 222 T C -0.333 174.252 174.700 -0.190 0.000 1.030 222 T CA -0.517 61.362 62.100 -0.368 0.000 1.020 222 T CB 0.881 69.419 68.868 -0.549 0.000 1.056 222 T HN 0.552 nan 8.240 nan 0.000 0.480 223 I N 3.404 123.881 120.570 -0.154 0.000 2.363 223 I HA 0.104 4.277 4.170 0.005 0.000 0.292 223 I C 1.521 177.593 176.117 -0.075 0.000 1.075 223 I CA -0.421 60.821 61.300 -0.097 0.000 1.333 223 I CB 1.014 38.960 38.000 -0.090 0.000 1.415 223 I HN 0.942 nan 8.210 nan 0.000 0.502 224 S N 3.040 118.705 115.700 -0.058 0.000 2.446 224 S HA 0.020 4.493 4.470 0.005 0.000 0.225 224 S C 0.269 174.870 174.600 0.001 0.000 1.016 224 S CA 0.055 58.233 58.200 -0.037 0.000 0.943 224 S CB 0.009 63.187 63.200 -0.037 0.000 0.786 224 S HN 0.742 nan 8.310 nan 0.000 0.508 225 D N -0.951 119.471 120.400 0.035 0.000 2.803 225 D HA 0.448 5.091 4.640 0.005 0.000 0.218 225 D C -2.194 174.233 176.300 0.213 0.000 1.245 225 D CA -0.550 53.509 54.000 0.098 0.000 0.821 225 D CB 1.379 42.221 40.800 0.070 0.000 1.626 225 D HN 0.076 nan 8.370 nan 0.000 0.487 226 Y N 3.869 124.249 120.300 0.132 0.000 2.329 226 Y HA 0.517 5.069 4.550 0.005 0.000 0.328 226 Y C -2.268 173.808 175.900 0.293 0.000 0.992 226 Y CA -1.215 56.998 58.100 0.188 0.000 1.151 226 Y CB 0.696 39.231 38.460 0.125 0.000 1.150 226 Y HN 0.388 nan 8.280 nan 0.000 0.450 227 Y N 6.358 126.690 120.300 0.053 0.000 2.328 227 Y HA 0.629 5.182 4.550 0.005 0.000 0.336 227 Y C -1.496 174.255 175.900 -0.249 0.000 0.960 227 Y CA -1.871 56.125 58.100 -0.174 0.000 1.134 227 Y CB 1.334 39.758 38.460 -0.061 0.000 1.166 227 Y HN 0.347 nan 8.280 nan 0.000 0.464 228 V N 8.241 127.875 119.914 -0.467 0.000 2.339 228 V HA 0.371 4.494 4.120 0.005 0.000 0.261 228 V C 0.193 175.869 176.094 -0.697 0.000 1.058 228 V CA -0.561 61.392 62.300 -0.579 0.000 0.897 228 V CB 0.331 31.699 31.823 -0.758 0.000 1.052 228 V HN 0.671 nan 8.190 nan 0.000 0.480 229 R N 4.362 124.387 120.500 -0.792 0.000 2.229 229 R HA 0.316 4.658 4.340 0.005 0.000 0.328 229 R C -0.069 176.013 176.300 -0.364 0.000 1.009 229 R CA -0.466 55.171 56.100 -0.771 0.000 0.864 229 R CB 0.974 30.752 30.300 -0.870 0.000 1.085 229 R HN 0.782 nan 8.270 nan 0.000 0.453 230 Q N 4.916 124.563 119.800 -0.256 0.000 2.295 230 Q HA 0.093 4.436 4.340 0.005 0.000 0.259 230 Q C 0.314 176.251 176.000 -0.105 0.000 0.976 230 Q CA -0.153 55.555 55.803 -0.158 0.000 0.923 230 Q CB 1.083 29.745 28.738 -0.127 0.000 1.185 230 Q HN 0.769 nan 8.270 nan 0.000 0.410 231 L N 2.171 123.344 121.223 -0.083 0.000 2.168 231 L HA 0.121 4.464 4.340 0.005 0.000 0.203 231 L C 0.674 177.523 176.870 -0.035 0.000 1.078 231 L CA 0.462 55.268 54.840 -0.056 0.000 0.780 231 L CB 0.047 42.076 42.059 -0.049 0.000 0.939 231 L HN 0.704 nan 8.230 nan 0.000 0.451 232 S N -0.999 114.684 115.700 -0.029 0.000 2.615 232 S HA 0.669 5.142 4.470 0.005 0.000 0.269 232 S C -1.307 173.287 174.600 -0.009 0.000 1.161 232 S CA -0.807 57.385 58.200 -0.014 0.000 0.817 232 S CB 2.564 65.759 63.200 -0.008 0.000 1.131 232 S HN -0.007 nan 8.310 nan 0.000 0.467 233 L N 1.031 122.256 121.223 0.004 0.000 2.543 233 L HA 0.822 5.165 4.340 0.005 0.000 0.265 233 L C -0.667 176.217 176.870 0.024 0.000 0.945 233 L CA 0.400 55.248 54.840 0.014 0.000 0.869 233 L CB 1.752 43.825 42.059 0.022 0.000 1.294 233 L HN 1.291 nan 8.230 nan 0.000 0.405 234 T N -0.901 113.668 114.554 0.025 0.000 2.804 234 T HA 0.447 4.800 4.350 0.005 0.000 0.290 234 T C 0.210 174.930 174.700 0.034 0.000 1.099 234 T CA -0.409 61.708 62.100 0.029 0.000 1.011 234 T CB 1.160 70.040 68.868 0.021 0.000 1.291 234 T HN 0.488 nan 8.240 nan 0.000 0.523 235 D N 0.280 120.700 120.400 0.033 0.000 2.221 235 D HA -0.063 4.580 4.640 0.005 0.000 0.204 235 D C 1.464 177.785 176.300 0.034 0.000 0.982 235 D CA 1.290 55.311 54.000 0.036 0.000 0.857 235 D CB 0.058 40.875 40.800 0.029 0.000 0.934 235 D HN 0.627 nan 8.370 nan 0.000 0.475 236 E N -0.498 119.718 120.200 0.027 0.000 2.216 236 E HA 0.098 4.451 4.350 0.005 0.000 0.192 236 E C 0.137 176.751 176.600 0.022 0.000 0.973 236 E CA 0.255 56.669 56.400 0.023 0.000 0.851 236 E CB 0.394 30.104 29.700 0.017 0.000 0.804 236 E HN 0.026 nan 8.360 nan 0.000 0.477 237 N N -0.901 117.811 118.700 0.019 0.000 2.516 237 N HA 0.463 5.206 4.740 0.005 0.000 0.268 237 N C -1.986 173.528 175.510 0.007 0.000 1.096 237 N CA -0.263 52.794 53.050 0.012 0.000 0.954 237 N CB 1.516 40.007 38.487 0.007 0.000 1.676 237 N HN -0.009 nan 8.380 nan 0.000 0.490 238 A N 2.704 125.521 122.820 -0.004 0.000 2.304 238 A HA 0.766 5.089 4.320 0.005 0.000 0.323 238 A C -0.468 177.107 177.584 -0.014 0.000 1.195 238 A CA -0.525 51.504 52.037 -0.015 0.000 0.826 238 A CB 0.562 19.540 19.000 -0.038 0.000 1.184 238 A HN 0.645 nan 8.150 nan 0.000 0.496 239 R N 2.137 122.627 120.500 -0.016 0.000 2.387 239 R HA 0.616 4.958 4.340 0.005 0.000 0.314 239 R C -1.193 175.091 176.300 -0.027 0.000 0.958 239 R CA -0.642 55.449 56.100 -0.015 0.000 0.846 239 R CB 1.361 31.651 30.300 -0.015 0.000 1.147 239 R HN 0.477 nan 8.270 nan 0.000 0.447 240 L N 0.938 122.155 121.223 -0.010 0.000 2.341 240 L HA 0.493 4.836 4.340 0.005 0.000 0.267 240 L C -0.036 176.818 176.870 -0.027 0.000 1.009 240 L CA -0.522 54.300 54.840 -0.030 0.000 0.819 240 L CB 1.911 43.999 42.059 0.047 0.000 1.323 240 L HN 0.556 nan 8.230 nan 0.000 0.425 241 S N 2.090 117.737 115.700 -0.088 0.000 2.596 241 S HA 0.471 4.943 4.470 0.005 0.000 0.318 241 S C -0.622 173.934 174.600 -0.073 0.000 1.097 241 S CA -0.710 57.448 58.200 -0.069 0.000 1.080 241 S CB 0.290 63.431 63.200 -0.098 0.000 0.991 241 S HN 0.582 nan 8.310 nan 0.000 0.471 242 N N 4.642 123.374 118.700 0.053 0.000 2.408 242 N HA 0.182 4.925 4.740 0.005 0.000 0.257 242 N C -0.862 174.747 175.510 0.165 0.000 1.064 242 N CA -0.065 53.098 53.050 0.188 0.000 0.952 242 N CB 1.003 39.690 38.487 0.333 0.000 1.093 242 N HN 0.691 nan 8.380 nan 0.000 0.490 243 E N 2.840 123.152 120.200 0.187 0.000 2.155 243 E HA 0.382 4.735 4.350 0.005 0.000 0.264 243 E C -0.586 176.179 176.600 0.275 0.000 0.886 243 E CA -0.491 56.020 56.400 0.185 0.000 0.752 243 E CB 1.751 31.550 29.700 0.165 0.000 1.133 243 E HN 0.309 nan 8.360 nan 0.000 0.414 244 L N 3.676 125.011 121.223 0.186 0.000 2.334 244 L HA 0.572 4.915 4.340 0.005 0.000 0.276 244 L C -0.350 176.555 176.870 0.058 0.000 1.014 244 L CA -0.730 54.185 54.840 0.126 0.000 0.815 244 L CB 1.559 43.629 42.059 0.018 0.000 1.268 244 L HN 0.445 nan 8.230 nan 0.000 0.428 245 I N 3.036 123.612 120.570 0.011 0.000 2.382 245 I HA 0.375 4.548 4.170 0.005 0.000 0.286 245 I C -0.846 175.213 176.117 -0.096 0.000 1.002 245 I CA -0.668 60.562 61.300 -0.117 0.000 1.135 245 I CB 1.911 39.849 38.000 -0.104 0.000 1.288 245 I HN 0.197 nan 8.210 nan 0.000 0.448 246 V N 5.427 125.269 119.914 -0.120 0.000 2.417 246 V HA 0.307 4.430 4.120 0.005 0.000 0.291 246 V C -0.140 175.906 176.094 -0.080 0.000 1.024 246 V CA -0.714 61.533 62.300 -0.088 0.000 0.861 246 V CB 1.789 33.571 31.823 -0.067 0.000 0.985 246 V HN 0.640 nan 8.190 nan 0.000 0.436 247 N N 3.959 122.620 118.700 -0.066 0.000 2.485 247 N HA 0.218 4.961 4.740 0.005 0.000 0.243 247 N C -0.385 175.130 175.510 0.008 0.000 0.987 247 N CA -0.255 52.776 53.050 -0.031 0.000 0.940 247 N CB 1.123 39.596 38.487 -0.022 0.000 1.122 247 N HN 0.800 nan 8.380 nan 0.000 0.509 248 Q N 3.616 123.430 119.800 0.023 0.000 2.279 248 Q HA 0.257 4.600 4.340 0.005 0.000 0.256 248 Q C 0.079 176.125 176.000 0.077 0.000 0.937 248 Q CA -0.221 55.616 55.803 0.056 0.000 0.933 248 Q CB 0.837 29.598 28.738 0.037 0.000 1.189 248 Q HN 0.702 nan 8.270 nan 0.000 0.417 249 I N 4.564 125.206 120.570 0.120 0.000 3.956 249 I HA 0.074 4.247 4.170 0.005 0.000 0.333 249 I C -0.282 175.866 176.117 0.052 0.000 1.302 249 I CA 0.044 61.406 61.300 0.103 0.000 1.122 249 I CB 1.061 39.157 38.000 0.160 0.000 1.013 249 I HN 0.565 nan 8.210 nan 0.000 0.405 250 V N -2.615 117.328 119.914 0.047 0.000 2.834 250 V HA 0.551 4.674 4.120 0.005 0.000 0.313 250 V C -1.887 174.221 176.094 0.024 0.000 1.060 250 V CA -1.415 60.901 62.300 0.027 0.000 0.989 250 V CB 0.674 32.511 31.823 0.024 0.000 1.041 250 V HN -0.084 nan 8.190 nan 0.000 0.459 251 P HA 0.085 nan 4.420 nan 0.000 0.225 251 P C 0.078 177.387 177.300 0.016 0.000 1.156 251 P CA 0.741 63.851 63.100 0.017 0.000 0.787 251 P CB 0.145 31.853 31.700 0.013 0.000 0.802 252 Q N -0.086 119.723 119.800 0.016 0.000 2.256 252 Q HA 0.312 4.654 4.340 0.005 0.000 0.232 252 Q C -0.056 175.953 176.000 0.016 0.000 0.965 252 Q CA -0.363 55.449 55.803 0.014 0.000 0.908 252 Q CB 0.462 29.208 28.738 0.013 0.000 1.209 252 Q HN -0.068 nan 8.270 nan 0.000 0.489 253 K N 0.967 121.375 120.400 0.014 0.000 2.368 253 K HA 0.282 4.605 4.320 0.005 0.000 0.282 253 K C -0.658 175.950 176.600 0.013 0.000 1.035 253 K CA 0.062 56.357 56.287 0.014 0.000 0.973 253 K CB 0.554 33.062 32.500 0.012 0.000 0.957 253 K HN 0.381 nan 8.250 nan 0.000 0.474 254 I N 5.310 125.888 120.570 0.014 0.000 2.439 254 I HA 0.252 4.425 4.170 0.005 0.000 0.283 254 I C -2.414 173.709 176.117 0.010 0.000 1.023 254 I CA -2.987 58.321 61.300 0.013 0.000 1.100 254 I CB 1.182 39.193 38.000 0.018 0.000 1.238 254 I HN 0.326 nan 8.210 nan 0.000 0.445 255 P HA 0.405 nan 4.420 nan 0.000 0.271 255 P C -0.606 176.697 177.300 0.004 0.000 1.218 255 P CA -0.074 63.029 63.100 0.005 0.000 0.780 255 P CB 1.212 32.914 31.700 0.005 0.000 0.901 256 A N 1.130 123.950 122.820 0.001 0.000 2.610 256 A HA 0.597 4.920 4.320 0.005 0.000 0.291 256 A C -1.427 176.153 177.584 -0.007 0.000 1.086 256 A CA -0.558 51.477 52.037 -0.003 0.000 0.677 256 A CB 1.346 20.343 19.000 -0.004 0.000 1.278 256 A HN 0.520 nan 8.150 nan 0.000 0.414 257 E N 0.884 121.077 120.200 -0.011 0.000 2.199 257 E HA 0.582 4.935 4.350 0.005 0.000 0.265 257 E C -1.554 175.031 176.600 -0.025 0.000 0.882 257 E CA -0.578 55.813 56.400 -0.015 0.000 0.759 257 E CB 1.793 31.486 29.700 -0.013 0.000 1.148 257 E HN 0.460 nan 8.360 nan 0.000 0.412 258 V N 5.545 125.442 119.914 -0.028 0.000 2.432 258 V HA 0.419 4.542 4.120 0.005 0.000 0.275 258 V C 0.047 176.115 176.094 -0.044 0.000 1.043 258 V CA -0.481 61.792 62.300 -0.044 0.000 0.925 258 V CB 0.769 32.566 31.823 -0.043 0.000 0.985 258 V HN 0.616 nan 8.190 nan 0.000 0.466 259 R N 3.905 124.369 120.500 -0.059 0.000 2.621 259 R HA 0.786 5.129 4.340 0.005 0.000 0.292 259 R C -1.698 174.560 176.300 -0.070 0.000 0.969 259 R CA -0.749 55.320 56.100 -0.052 0.000 0.887 259 R CB 1.942 32.217 30.300 -0.042 0.000 1.180 259 R HN 0.379 nan 8.270 nan 0.000 0.450 260 V N 2.729 122.615 119.914 -0.047 0.000 2.448 260 V HA 0.289 4.412 4.120 0.005 0.000 0.295 260 V C -0.203 175.866 176.094 -0.042 0.000 1.025 260 V CA -0.892 61.390 62.300 -0.030 0.000 0.859 260 V CB 1.707 33.553 31.823 0.038 0.000 0.988 260 V HN 0.725 nan 8.190 nan 0.000 0.431 261 N N 3.967 122.637 118.700 -0.049 0.000 2.408 261 N HA 0.433 5.176 4.740 0.005 0.000 0.280 261 N C -1.258 174.156 175.510 -0.161 0.000 1.002 261 N CA -0.209 52.793 53.050 -0.079 0.000 0.907 261 N CB 2.105 40.563 38.487 -0.047 0.000 1.161 261 N HN 0.382 nan 8.380 nan 0.000 0.488 262 V N 2.426 122.186 119.914 -0.257 0.000 2.394 262 V HA 0.441 4.564 4.120 0.005 0.000 0.282 262 V C 0.017 176.021 176.094 -0.150 0.000 1.031 262 V CA -0.366 61.674 62.300 -0.433 0.000 0.881 262 V CB 1.215 32.649 31.823 -0.648 0.000 0.982 262 V HN 0.669 nan 8.190 nan 0.000 0.451 263 S N 4.288 119.960 115.700 -0.047 0.000 2.599 263 S HA 0.838 5.311 4.470 0.005 0.000 0.287 263 S C -1.341 173.280 174.600 0.034 0.000 1.105 263 S CA -0.539 57.668 58.200 0.012 0.000 0.899 263 S CB 2.086 65.286 63.200 0.001 0.000 1.100 263 S HN 0.528 nan 8.310 nan 0.000 0.482 264 L N 3.019 124.221 121.223 -0.035 0.000 2.476 264 L HA 0.585 4.928 4.340 0.005 0.000 0.269 264 L C -0.163 176.655 176.870 -0.087 0.000 0.965 264 L CA 0.122 54.874 54.840 -0.147 0.000 0.845 264 L CB 1.037 42.918 42.059 -0.297 0.000 1.259 264 L HN 0.751 nan 8.230 nan 0.000 0.403 265 N N 3.893 122.550 118.700 -0.072 0.000 2.735 265 N HA -0.181 4.562 4.740 0.005 0.000 0.248 265 N C 0.880 176.375 175.510 -0.024 0.000 1.083 265 N CA 1.951 54.975 53.050 -0.043 0.000 0.703 265 N CB -0.933 37.523 38.487 -0.051 0.000 1.005 265 N HN 1.413 nan 8.380 nan 0.000 0.550 266 G N -3.320 105.471 108.800 -0.016 0.000 2.175 266 G HA2 -0.249 3.714 3.960 0.005 0.000 0.244 266 G HA3 -0.249 3.714 3.960 0.005 0.000 0.244 266 G C 0.158 175.052 174.900 -0.009 0.000 0.982 266 G CA 0.486 45.581 45.100 -0.008 0.000 0.641 266 G HN 0.674 nan 8.290 nan 0.000 0.527 267 T N 2.079 116.625 114.554 -0.013 0.000 2.770 267 T HA 0.544 4.897 4.350 0.005 0.000 0.283 267 T C 0.364 175.059 174.700 -0.007 0.000 0.988 267 T CA 0.163 62.258 62.100 -0.010 0.000 0.957 267 T CB 1.523 70.385 68.868 -0.010 0.000 0.930 267 T HN 0.225 nan 8.240 nan 0.000 0.443 268 T N 3.213 117.762 114.554 -0.008 0.000 2.866 268 T HA 0.066 4.419 4.350 0.005 0.000 0.293 268 T C 1.418 176.116 174.700 -0.002 0.000 1.005 268 T CA -0.083 62.010 62.100 -0.012 0.000 1.162 268 T CB 0.503 69.361 68.868 -0.017 0.000 0.968 268 T HN 0.361 nan 8.240 nan 0.000 0.530 269 V N 2.512 122.427 119.914 0.003 0.000 2.788 269 V HA 0.213 4.336 4.120 0.005 0.000 0.241 269 V C 1.216 177.303 176.094 -0.013 0.000 1.083 269 V CA 0.852 63.168 62.300 0.025 0.000 1.103 269 V CB 0.774 32.664 31.823 0.110 0.000 0.800 269 V HN 0.944 nan 8.190 nan 0.000 0.476 270 T N -0.495 114.025 114.554 -0.056 0.000 2.853 270 T HA 0.507 4.859 4.350 0.005 0.000 0.311 270 T C -1.875 172.781 174.700 -0.074 0.000 1.307 270 T CA -0.508 61.556 62.100 -0.060 0.000 1.019 270 T CB 2.196 71.030 68.868 -0.057 0.000 1.264 270 T HN 0.316 nan 8.240 nan 0.000 0.497 271 E N 1.147 121.317 120.200 -0.050 0.000 2.272 271 E HA 0.647 4.999 4.350 0.005 0.000 0.269 271 E C -0.965 175.616 176.600 -0.032 0.000 0.877 271 E CA -0.968 55.404 56.400 -0.046 0.000 0.755 271 E CB 2.406 32.086 29.700 -0.034 0.000 1.192 271 E HN 0.639 nan 8.360 nan 0.000 0.422 272 V N -0.504 119.393 119.914 -0.028 0.000 3.102 272 V HA 0.801 4.924 4.120 0.005 0.000 0.312 272 V C -1.041 175.043 176.094 -0.016 0.000 1.135 272 V CA -0.922 61.368 62.300 -0.016 0.000 1.022 272 V CB 1.956 33.775 31.823 -0.006 0.000 1.056 272 V HN 0.780 nan 8.190 nan 0.000 0.436 273 K N 1.217 121.610 120.400 -0.012 0.000 2.556 273 K HA 0.729 5.052 4.320 0.005 0.000 0.274 273 K C -1.596 174.998 176.600 -0.009 0.000 0.966 273 K CA -0.845 55.434 56.287 -0.014 0.000 0.865 273 K CB 2.649 35.140 32.500 -0.016 0.000 1.444 273 K HN 0.822 nan 8.250 nan 0.000 0.433 274 Q N 1.392 121.186 119.800 -0.011 0.000 2.284 274 Q HA 0.159 4.501 4.340 0.005 0.000 0.269 274 Q C -1.316 174.680 176.000 -0.006 0.000 1.026 274 Q CA -0.759 55.041 55.803 -0.006 0.000 0.831 274 Q CB 2.240 30.977 28.738 -0.003 0.000 1.322 274 Q HN 0.534 nan 8.270 nan 0.000 0.419 275 Q N 1.841 121.638 119.800 -0.004 0.000 2.286 275 Q HA 0.424 4.767 4.340 0.005 0.000 0.257 275 Q C -0.169 175.831 176.000 0.000 0.000 0.941 275 Q CA -0.103 55.698 55.803 -0.003 0.000 0.912 275 Q CB 1.417 30.155 28.738 -0.001 0.000 1.192 275 Q HN 0.522 nan 8.270 nan 0.000 0.410 276 V N -1.106 118.808 119.914 0.000 0.000 3.159 276 V HA 0.746 4.869 4.120 0.005 0.000 0.308 276 V C -0.495 175.601 176.094 0.004 0.000 1.190 276 V CA -0.887 61.415 62.300 0.003 0.000 1.037 276 V CB 2.365 34.191 31.823 0.004 0.000 1.060 276 V HN 0.628 nan 8.190 nan 0.000 0.437 277 T N 3.656 118.215 114.554 0.007 0.000 2.791 277 T HA 0.603 4.956 4.350 0.005 0.000 0.288 277 T C -0.270 174.437 174.700 0.010 0.000 0.999 277 T CA -0.239 61.866 62.100 0.008 0.000 0.952 277 T CB 0.709 69.582 68.868 0.009 0.000 0.938 277 T HN 0.652 nan 8.240 nan 0.000 0.444 278 L N 3.931 125.159 121.223 0.009 0.000 2.367 278 L HA 0.307 4.650 4.340 0.005 0.000 0.275 278 L C 0.647 177.525 176.870 0.014 0.000 1.129 278 L CA -0.696 54.150 54.840 0.010 0.000 0.839 278 L CB 0.466 42.530 42.059 0.008 0.000 1.133 278 L HN 0.397 nan 8.230 nan 0.000 0.453 279 Q N 3.440 123.250 119.800 0.016 0.000 2.214 279 Q HA 0.435 4.778 4.340 0.005 0.000 0.251 279 Q C -2.278 173.734 176.000 0.020 0.000 0.936 279 Q CA -2.295 53.519 55.803 0.019 0.000 0.894 279 Q CB 0.874 29.625 28.738 0.021 0.000 1.252 279 Q HN 0.284 nan 8.270 nan 0.000 0.448 280 P HA -0.010 nan 4.420 nan 0.000 0.264 280 P C 0.441 177.756 177.300 0.025 0.000 1.179 280 P CA 1.500 64.615 63.100 0.025 0.000 0.763 280 P CB 0.254 31.969 31.700 0.024 0.000 0.806 281 G N 2.462 111.278 108.800 0.027 0.000 2.553 281 G HA2 -0.208 3.755 3.960 0.005 0.000 0.242 281 G HA3 -0.208 3.755 3.960 0.005 0.000 0.242 281 G C -0.657 174.246 174.900 0.005 0.000 1.277 281 G CA -0.719 44.395 45.100 0.022 0.000 0.910 281 G HN 0.499 nan 8.290 nan 0.000 0.576 282 I N 2.271 122.838 120.570 -0.004 0.000 2.575 282 I HA 0.289 4.462 4.170 0.005 0.000 0.285 282 I C 0.617 176.697 176.117 -0.061 0.000 1.085 282 I CA -0.384 60.882 61.300 -0.057 0.000 1.403 282 I CB 0.462 38.424 38.000 -0.063 0.000 1.409 282 I HN 0.486 nan 8.210 nan 0.000 0.557 283 N N 5.256 123.878 118.700 -0.130 0.000 2.258 283 N HA 0.344 5.086 4.740 0.005 0.000 0.299 283 N C -0.835 174.562 175.510 -0.189 0.000 1.047 283 N CA -0.596 52.408 53.050 -0.078 0.000 0.814 283 N CB 2.098 40.566 38.487 -0.032 0.000 1.413 283 N HN 0.517 nan 8.380 nan 0.000 0.478 284 H N 1.956 121.039 119.070 0.022 0.000 2.481 284 H HA 0.469 5.028 4.556 0.005 0.000 0.333 284 H C -0.456 174.886 175.328 0.023 0.000 1.066 284 H CA -0.221 55.844 56.048 0.028 0.000 1.209 284 H CB 1.837 31.616 29.762 0.028 0.000 1.445 284 H HN 0.397 nan 8.280 nan 0.000 0.488 285 I N 2.206 122.845 120.570 0.116 0.000 2.498 285 I HA 0.172 4.345 4.170 0.005 0.000 0.290 285 I C -0.149 176.014 176.117 0.077 0.000 1.032 285 I CA -0.270 61.072 61.300 0.069 0.000 1.073 285 I CB 2.268 40.283 38.000 0.026 0.000 1.251 285 I HN 0.414 nan 8.210 nan 0.000 0.426 286 T N 6.858 121.448 114.554 0.059 0.000 2.840 286 T HA 0.641 4.994 4.350 0.005 0.000 0.287 286 T C -0.713 174.009 174.700 0.036 0.000 0.991 286 T CA -0.405 61.726 62.100 0.052 0.000 0.964 286 T CB 1.066 69.957 68.868 0.039 0.000 0.954 286 T HN 0.132 nan 8.240 nan 0.000 0.438 287 L N 6.416 127.665 121.223 0.044 0.000 2.342 287 L HA 0.456 4.799 4.340 0.005 0.000 0.276 287 L C -2.140 174.755 176.870 0.042 0.000 0.997 287 L CA -1.885 52.977 54.840 0.037 0.000 0.838 287 L CB 1.674 43.756 42.059 0.039 0.000 1.224 287 L HN 0.357 nan 8.230 nan 0.000 0.416 288 P HA 0.432 nan 4.420 nan 0.000 0.272 288 P C -1.106 176.211 177.300 0.030 0.000 1.230 288 P CA -0.323 62.789 63.100 0.020 0.000 0.788 288 P CB 1.657 33.361 31.700 0.006 0.000 0.949 289 A N 1.372 124.213 122.820 0.035 0.000 2.594 289 A HA 0.577 4.900 4.320 0.005 0.000 0.296 289 A C -1.207 176.391 177.584 0.022 0.000 1.061 289 A CA -0.652 51.403 52.037 0.030 0.000 0.689 289 A CB 1.413 20.446 19.000 0.055 0.000 1.280 289 A HN 0.553 nan 8.150 nan 0.000 0.406 290 E N 0.542 120.742 120.200 -0.001 0.000 2.343 290 E HA 0.613 4.966 4.350 0.005 0.000 0.270 290 E C -1.411 175.173 176.600 -0.027 0.000 0.895 290 E CA -1.072 55.324 56.400 -0.008 0.000 0.767 290 E CB 2.545 32.241 29.700 -0.006 0.000 1.248 290 E HN 0.303 nan 8.360 nan 0.000 0.440 291 V N 1.731 121.624 119.914 -0.035 0.000 2.326 291 V HA 0.190 4.313 4.120 0.005 0.000 0.281 291 V C 0.253 176.344 176.094 -0.005 0.000 1.015 291 V CA -0.817 61.457 62.300 -0.043 0.000 0.823 291 V CB 1.036 32.777 31.823 -0.137 0.000 1.009 291 V HN 0.853 nan 8.190 nan 0.000 0.436 292 T N 1.390 115.952 114.554 0.012 0.000 2.930 292 T HA 0.225 4.578 4.350 0.005 0.000 0.306 292 T C 0.494 175.219 174.700 0.042 0.000 1.045 292 T CA -0.117 61.996 62.100 0.022 0.000 1.134 292 T CB -0.170 68.710 68.868 0.019 0.000 0.961 292 T HN 0.806 nan 8.240 nan 0.000 0.545 293 N N 1.149 119.874 118.700 0.042 0.000 2.688 293 N HA -0.121 4.622 4.740 0.005 0.000 0.258 293 N C -2.558 173.006 175.510 0.089 0.000 1.016 293 N CA 0.221 53.305 53.050 0.056 0.000 0.747 293 N CB -1.041 37.476 38.487 0.049 0.000 0.895 293 N HN 0.650 nan 8.380 nan 0.000 0.543 294 P HA 0.014 nan 4.420 nan 0.000 0.268 294 P C -0.097 177.324 177.300 0.202 0.000 1.204 294 P CA 0.048 63.233 63.100 0.141 0.000 0.768 294 P CB 0.844 32.587 31.700 0.071 0.000 0.842 295 V N 5.301 125.415 119.914 0.333 0.000 2.389 295 V HA 0.158 4.281 4.120 0.005 0.000 0.264 295 V C 1.340 177.617 176.094 0.305 0.000 1.049 295 V CA -0.291 62.161 62.300 0.253 0.000 0.932 295 V CB -0.271 31.647 31.823 0.159 0.000 1.011 295 V HN 0.472 nan 8.190 nan 0.000 0.475 296 R N 3.035 123.665 120.500 0.217 0.000 2.643 296 R HA 0.102 4.445 4.340 0.005 0.000 0.270 296 R C -0.387 176.082 176.300 0.283 0.000 1.061 296 R CA -0.351 55.894 56.100 0.241 0.000 1.107 296 R CB 0.857 31.268 30.300 0.184 0.000 0.999 296 R HN 0.772 nan 8.270 nan 0.000 0.460 297 W N 4.882 126.264 121.300 0.137 0.000 2.266 297 W HA 0.146 4.808 4.660 0.004 0.000 0.317 297 W C -0.861 175.728 176.519 0.117 0.000 1.310 297 W CA -0.373 57.041 57.345 0.115 0.000 1.207 297 W CB 0.692 30.215 29.460 0.105 0.000 1.199 297 W HN 0.285 nan 8.180 nan 0.000 0.544 298 M N 9.298 128.685 119.600 -0.354 0.000 2.436 298 M HA 0.366 4.849 4.480 0.005 0.000 0.331 298 M C -2.131 173.679 176.300 -0.816 0.000 1.135 298 M CA -2.665 52.452 55.300 -0.306 0.000 0.987 298 M CB 1.154 33.698 32.600 -0.093 0.000 1.687 298 M HN 0.266 nan 8.290 nan 0.000 0.445 299 P HA 0.093 nan 4.420 nan 0.000 0.274 299 P C -0.501 176.584 177.300 -0.358 0.000 1.246 299 P CA -0.429 62.348 63.100 -0.538 0.000 0.795 299 P CB 0.396 31.906 31.700 -0.317 0.000 1.006 300 N N 0.078 118.600 118.700 -0.298 0.000 2.359 300 N HA 0.171 4.914 4.740 0.005 0.000 0.261 300 N C 1.416 176.829 175.510 -0.163 0.000 1.267 300 N CA 2.095 55.034 53.050 -0.185 0.000 0.864 300 N CB -0.575 37.837 38.487 -0.125 0.000 1.063 300 N HN 0.756 nan 8.380 nan 0.000 0.474 301 G N 2.423 111.185 108.800 -0.063 0.000 2.254 301 G HA2 -0.227 3.736 3.960 0.005 0.000 0.225 301 G HA3 -0.227 3.736 3.960 0.005 0.000 0.225 301 G C 0.361 175.393 174.900 0.220 0.000 1.003 301 G CA 0.153 45.265 45.100 0.019 0.000 0.622 301 G HN 0.570 nan 8.290 nan 0.000 0.507 302 W N 1.658 122.913 121.300 -0.075 0.000 2.870 302 W HA 0.601 5.266 4.660 0.008 0.000 0.358 302 W C 1.194 177.668 176.519 -0.076 0.000 1.043 302 W CA 0.432 57.741 57.345 -0.059 0.000 1.692 302 W CB 0.463 29.894 29.460 -0.048 0.000 1.100 302 W HN 1.098 nan 8.180 nan 0.000 0.557 303 G N -0.424 108.432 108.800 0.094 0.000 2.332 303 G HA2 0.107 4.070 3.960 0.005 0.000 0.265 303 G HA3 0.107 4.070 3.960 0.005 0.000 0.265 303 G C -0.966 173.895 174.900 -0.065 0.000 1.329 303 G CA -0.884 44.224 45.100 0.013 0.000 0.949 303 G HN -0.278 nan 8.290 nan 0.000 0.476 304 T N 3.003 117.511 114.554 -0.077 0.000 2.845 304 T HA 0.596 4.948 4.350 0.005 0.000 0.288 304 T C -2.382 172.195 174.700 -0.206 0.000 0.980 304 T CA -0.782 61.257 62.100 -0.103 0.000 1.071 304 T CB 1.995 70.835 68.868 -0.048 0.000 0.941 304 T HN 0.403 nan 8.240 nan 0.000 0.487 305 P HA 0.209 nan 4.420 nan 0.000 0.219 305 P C -0.397 176.900 177.300 -0.006 0.000 1.847 305 P CA -0.503 62.316 63.100 -0.469 0.000 1.059 305 P CB -0.691 30.765 31.700 -0.407 0.000 1.900 306 T N 3.294 117.893 114.554 0.075 0.000 2.867 306 T HA 0.174 4.527 4.350 0.005 0.000 0.297 306 T C 0.413 175.297 174.700 0.305 0.000 0.989 306 T CA 0.576 62.766 62.100 0.150 0.000 1.159 306 T CB 0.047 68.981 68.868 0.110 0.000 0.928 306 T HN 0.179 nan 8.240 nan 0.000 0.538 307 L N 3.810 125.144 121.223 0.186 0.000 2.349 307 L HA 0.461 4.804 4.340 0.005 0.000 0.278 307 L C -0.554 176.395 176.870 0.131 0.000 0.996 307 L CA -1.077 53.902 54.840 0.232 0.000 0.825 307 L CB 1.235 43.414 42.059 0.200 0.000 1.243 307 L HN 0.630 nan 8.230 nan 0.000 0.412 308 Y N 1.237 121.661 120.300 0.206 0.000 2.301 308 Y HA 0.156 4.709 4.550 0.004 0.000 0.328 308 Y C 0.371 176.434 175.900 0.273 0.000 1.242 308 Y CA -0.212 58.030 58.100 0.237 0.000 1.323 308 Y CB 0.876 39.567 38.460 0.385 0.000 1.266 308 Y HN 0.444 nan 8.280 nan 0.000 0.527 309 D N 2.672 123.276 120.400 0.340 0.000 2.349 309 D HA 0.200 4.843 4.640 0.005 0.000 0.232 309 D C -1.296 175.178 176.300 0.289 0.000 1.071 309 D CA -0.111 54.059 54.000 0.284 0.000 0.832 309 D CB 0.937 41.819 40.800 0.138 0.000 1.086 309 D HN 0.220 nan 8.370 nan 0.000 0.504 310 F N 1.070 121.110 119.950 0.149 0.000 2.402 310 F HA 0.207 4.736 4.527 0.004 0.000 0.355 310 F C 0.708 176.643 175.800 0.225 0.000 1.123 310 F CA -0.626 57.485 58.000 0.185 0.000 1.021 310 F CB 1.885 40.992 39.000 0.177 0.000 1.160 310 F HN 0.025 nan 8.300 nan 0.000 0.451 311 S N 3.197 119.053 115.700 0.260 0.000 2.530 311 S HA 0.839 5.311 4.470 0.005 0.000 0.322 311 S C -0.623 173.974 174.600 -0.005 0.000 1.085 311 S CA -0.469 57.808 58.200 0.128 0.000 1.096 311 S CB 0.512 63.737 63.200 0.042 0.000 0.988 311 S HN 0.738 nan 8.310 nan 0.000 0.466 312 A N 4.650 127.340 122.820 -0.218 0.000 2.305 312 A HA 0.759 5.081 4.320 0.005 0.000 0.322 312 A C -0.468 176.967 177.584 -0.248 0.000 1.187 312 A CA -0.603 51.189 52.037 -0.408 0.000 0.825 312 A CB 0.788 19.178 19.000 -1.017 0.000 1.164 312 A HN 0.837 nan 8.150 nan 0.000 0.498 313 Q N 1.253 120.949 119.800 -0.173 0.000 2.397 313 Q HA 0.514 4.857 4.340 0.005 0.000 0.275 313 Q C -1.312 174.631 176.000 -0.096 0.000 1.090 313 Q CA -0.841 54.893 55.803 -0.114 0.000 0.809 313 Q CB 2.495 31.189 28.738 -0.072 0.000 1.362 313 Q HN 0.600 nan 8.270 nan 0.000 0.431 314 I N 1.718 122.242 120.570 -0.076 0.000 2.330 314 I HA 0.529 4.702 4.170 0.005 0.000 0.289 314 I C -0.367 175.731 176.117 -0.032 0.000 1.001 314 I CA -0.535 60.733 61.300 -0.053 0.000 1.193 314 I CB 0.702 38.673 38.000 -0.049 0.000 1.345 314 I HN 0.629 nan 8.210 nan 0.000 0.461 315 A N 6.173 128.978 122.820 -0.025 0.000 2.287 315 A HA 0.608 4.931 4.320 0.005 0.000 0.317 315 A C -0.604 176.976 177.584 -0.007 0.000 1.220 315 A CA -0.342 51.686 52.037 -0.014 0.000 0.835 315 A CB 0.734 19.724 19.000 -0.016 0.000 1.180 315 A HN 0.756 nan 8.150 nan 0.000 0.500 316 C N 3.118 122.418 119.300 0.001 0.000 2.294 316 C HA 0.697 5.160 4.460 0.005 0.000 0.319 316 C C 1.251 176.244 174.990 0.005 0.000 1.164 316 C CA 0.022 59.043 59.018 0.005 0.000 1.497 316 C CB -0.496 27.251 27.740 0.012 0.000 2.061 316 C HN 1.614 nan 8.230 nan 0.000 0.438 320 I N 5.286 125.858 120.570 0.004 0.000 2.329 320 I HA 0.014 4.187 4.170 0.005 0.000 0.295 320 I C 1.999 178.120 176.117 0.007 0.000 1.109 320 I CA -0.278 61.020 61.300 -0.002 0.000 1.297 320 I CB 0.956 38.951 38.000 -0.009 0.000 1.433 320 I HN 0.691 nan 8.210 nan 0.000 0.509 321 V N 3.784 123.703 119.914 0.010 0.000 2.719 321 V HA 0.319 4.442 4.120 0.005 0.000 0.252 321 V C 0.864 176.968 176.094 0.016 0.000 1.065 321 V CA 0.859 63.178 62.300 0.031 0.000 1.086 321 V CB -0.328 31.523 31.823 0.046 0.000 0.700 321 V HN 0.708 nan 8.190 nan 0.000 0.467 322 A N -0.486 122.321 122.820 -0.022 0.000 2.547 322 A HA 0.769 5.092 4.320 0.005 0.000 0.297 322 A C -0.961 176.582 177.584 -0.069 0.000 1.056 322 A CA -0.471 51.532 52.037 -0.057 0.000 0.688 322 A CB 1.993 20.939 19.000 -0.090 0.000 1.282 322 A HN 0.295 nan 8.150 nan 0.000 0.400 323 E N 0.636 120.791 120.200 -0.075 0.000 2.366 323 E HA 0.595 4.948 4.350 0.005 0.000 0.278 323 E C -1.830 174.715 176.600 -0.091 0.000 0.923 323 E CA -0.326 56.022 56.400 -0.087 0.000 0.761 323 E CB 2.286 31.952 29.700 -0.057 0.000 1.231 323 E HN 0.718 nan 8.360 nan 0.000 0.443 324 Q N 1.211 120.944 119.800 -0.112 0.000 2.309 324 Q HA 0.497 4.840 4.340 0.005 0.000 0.273 324 Q C -1.940 174.031 176.000 -0.048 0.000 1.040 324 Q CA -0.383 55.367 55.803 -0.090 0.000 0.834 324 Q CB 2.033 30.730 28.738 -0.067 0.000 1.345 324 Q HN 0.340 nan 8.270 nan 0.000 0.414 325 S N 2.611 118.263 115.700 -0.079 0.000 2.566 325 S HA 0.726 5.199 4.470 0.005 0.000 0.298 325 S C -1.313 173.129 174.600 -0.264 0.000 1.083 325 S CA -0.700 57.493 58.200 -0.013 0.000 0.978 325 S CB 0.887 64.107 63.200 0.033 0.000 1.073 325 S HN 0.594 nan 8.310 nan 0.000 0.491 326 H N 0.959 120.111 119.070 0.137 0.000 2.821 326 H HA 0.439 4.998 4.556 0.005 0.000 0.373 326 H C -0.549 174.807 175.328 0.048 0.000 1.165 326 H CA -0.736 55.299 56.048 -0.022 0.000 1.154 326 H CB 1.367 30.992 29.762 -0.229 0.000 1.765 326 H HN 0.442 nan 8.280 nan 0.000 0.549 327 R N 1.679 122.265 120.500 0.143 0.000 2.297 327 R HA 0.447 4.790 4.340 0.005 0.000 0.308 327 R C -0.348 175.979 176.300 0.044 0.000 1.029 327 R CA -0.683 55.501 56.100 0.140 0.000 0.929 327 R CB 1.108 31.480 30.300 0.120 0.000 1.046 327 R HN 0.299 nan 8.270 nan 0.000 0.461 328 I N 1.770 122.397 120.570 0.096 0.000 2.466 328 I HA 0.306 4.479 4.170 0.005 0.000 0.289 328 I C 0.452 176.617 176.117 0.080 0.000 1.026 328 I CA -0.550 60.705 61.300 -0.075 0.000 1.078 328 I CB 1.682 39.428 38.000 -0.423 0.000 1.249 328 I HN 0.728 nan 8.210 nan 0.000 0.429 329 G N 6.710 115.471 108.800 -0.065 0.000 2.343 329 G HA2 0.627 4.590 3.960 0.005 0.000 0.319 329 G HA3 0.627 4.590 3.960 0.005 0.000 0.319 329 G C -0.630 174.287 174.900 0.028 0.000 1.126 329 G CA -0.507 44.617 45.100 0.039 0.000 0.889 329 G HN 0.477 nan 8.290 nan 0.000 0.457 330 L N 4.095 125.433 121.223 0.191 0.000 2.268 330 L HA 0.579 4.922 4.340 0.005 0.000 0.289 330 L C 0.391 177.365 176.870 0.174 0.000 1.064 330 L CA -0.761 54.143 54.840 0.107 0.000 0.824 330 L CB 0.322 42.434 42.059 0.089 0.000 1.202 330 L HN 0.619 nan 8.230 nan 0.000 0.433 331 R N 1.856 122.424 120.500 0.113 0.000 2.712 331 R HA 0.506 4.849 4.340 0.005 0.000 0.272 331 R C -1.237 175.125 176.300 0.104 0.000 1.032 331 R CA -0.697 55.508 56.100 0.175 0.000 0.874 331 R CB 1.339 31.842 30.300 0.340 0.000 1.256 331 R HN 0.375 nan 8.270 nan 0.000 0.468 332 T N -0.543 114.087 114.554 0.127 0.000 2.823 332 T HA 0.723 5.076 4.350 0.005 0.000 0.279 332 T C 0.302 175.074 174.700 0.121 0.000 0.998 332 T CA -0.756 61.399 62.100 0.092 0.000 0.994 332 T CB 0.905 69.819 68.868 0.077 0.000 0.960 332 T HN 0.478 nan 8.240 nan 0.000 0.448 333 I N 2.585 123.208 120.570 0.087 0.000 2.447 333 I HA 0.503 4.676 4.170 0.005 0.000 0.287 333 I C -0.031 176.108 176.117 0.037 0.000 1.023 333 I CA -0.910 60.452 61.300 0.103 0.000 1.083 333 I CB 2.050 40.122 38.000 0.120 0.000 1.245 333 I HN 0.609 nan 8.210 nan 0.000 0.434 334 R N 5.905 126.399 120.500 -0.010 0.000 2.480 334 R HA 0.647 4.990 4.340 0.005 0.000 0.306 334 R C -1.704 174.380 176.300 -0.361 0.000 0.958 334 R CA -0.522 55.496 56.100 -0.137 0.000 0.861 334 R CB 1.969 32.204 30.300 -0.109 0.000 1.171 334 R HN 0.425 nan 8.270 nan 0.000 0.445 335 V N 5.290 124.832 119.914 -0.621 0.000 2.406 335 V HA 0.244 4.367 4.120 0.005 0.000 0.272 335 V C -0.174 175.260 176.094 -1.100 0.000 1.043 335 V CA -0.578 60.982 62.300 -1.233 0.000 0.915 335 V CB 1.494 32.096 31.823 -2.035 0.000 0.988 335 V HN 0.507 nan 8.190 nan 0.000 0.466 336 V N 5.581 124.804 119.914 -1.152 0.000 2.328 336 V HA 0.370 4.493 4.120 0.005 0.000 0.278 336 V C 0.330 175.945 176.094 -0.798 0.000 1.021 336 V CA -0.410 61.349 62.300 -0.901 0.000 0.838 336 V CB 1.122 32.295 31.823 -1.082 0.000 0.999 336 V HN 0.948 nan 8.190 nan 0.000 0.447 337 N N 4.489 122.879 118.700 -0.515 0.000 2.804 337 N HA 0.340 5.083 4.740 0.005 0.000 0.251 337 N C -0.841 174.631 175.510 -0.063 0.000 1.250 337 N CA -0.272 52.622 53.050 -0.259 0.000 0.820 337 N CB 1.083 39.432 38.487 -0.230 0.000 1.156 337 N HN 0.735 nan 8.380 nan 0.000 0.512 338 E N 1.569 121.760 120.200 -0.014 0.000 2.293 338 E HA 0.258 4.611 4.350 0.005 0.000 0.270 338 E C -0.827 175.818 176.600 0.075 0.000 0.879 338 E CA -0.796 55.618 56.400 0.023 0.000 0.756 338 E CB 2.386 32.088 29.700 0.004 0.000 1.208 338 E HN 0.284 nan 8.360 nan 0.000 0.428 339 K N 2.340 122.785 120.400 0.075 0.000 2.524 339 K HA 0.011 4.334 4.320 0.005 0.000 0.279 339 K C -0.460 176.187 176.600 0.079 0.000 0.993 339 K CA 0.862 57.199 56.287 0.083 0.000 1.030 339 K CB 0.140 32.684 32.500 0.073 0.000 0.891 339 K HN 0.501 nan 8.250 nan 0.000 0.488 340 D N -0.286 120.164 120.400 0.084 0.000 2.692 340 D HA 0.026 4.669 4.640 0.005 0.000 0.303 340 D C 0.134 176.485 176.300 0.084 0.000 1.278 340 D CA -0.938 53.111 54.000 0.082 0.000 0.852 340 D CB 0.291 41.144 40.800 0.089 0.000 1.375 340 D HN 0.346 nan 8.370 nan 0.000 0.453 341 K N -0.811 119.641 120.400 0.086 0.000 2.280 341 K HA -0.077 4.246 4.320 0.005 0.000 0.202 341 K C 0.124 176.792 176.600 0.114 0.000 1.047 341 K CA 1.150 57.492 56.287 0.092 0.000 0.942 341 K CB -0.195 32.359 32.500 0.091 0.000 0.739 341 K HN 0.273 nan 8.250 nan 0.000 0.457 342 D N 0.236 120.708 120.400 0.120 0.000 2.354 342 D HA 0.085 4.728 4.640 0.005 0.000 0.209 342 D C 1.117 177.492 176.300 0.125 0.000 1.015 342 D CA 1.046 55.141 54.000 0.157 0.000 0.867 342 D CB 1.153 42.048 40.800 0.160 0.000 0.933 342 D HN 0.535 nan 8.370 nan 0.000 0.520 343 G N 0.874 109.734 108.800 0.100 0.000 1.695 343 G HA2 -0.118 3.845 3.960 0.005 0.000 0.089 343 G HA3 -0.118 3.845 3.960 0.005 0.000 0.089 343 G C -0.983 173.984 174.900 0.112 0.000 1.061 343 G CA -0.691 44.472 45.100 0.105 0.000 1.207 343 G HN 0.173 nan 8.290 nan 0.000 0.389 344 E N 0.889 121.166 120.200 0.127 0.000 2.260 344 E HA 0.534 4.887 4.350 0.005 0.000 0.266 344 E C -0.192 176.516 176.600 0.181 0.000 0.887 344 E CA -0.154 56.350 56.400 0.173 0.000 0.777 344 E CB 2.186 32.048 29.700 0.270 0.000 1.205 344 E HN 0.706 nan 8.360 nan 0.000 0.414 345 S N 2.059 117.859 115.700 0.167 0.000 2.600 345 S HA 0.459 4.932 4.470 0.005 0.000 0.265 345 S C -0.306 174.449 174.600 0.258 0.000 1.325 345 S CA -0.415 57.907 58.200 0.204 0.000 1.002 345 S CB 0.626 63.980 63.200 0.256 0.000 0.921 345 S HN 0.506 nan 8.310 nan 0.000 0.554 346 F N 2.737 122.758 119.950 0.118 0.000 3.228 346 F HA 0.474 5.004 4.527 0.005 0.000 0.385 346 F C -1.271 174.558 175.800 0.048 0.000 1.247 346 F CA -0.660 57.311 58.000 -0.048 0.000 1.211 346 F CB 0.726 39.738 39.000 0.021 0.000 1.719 346 F HN 0.827 nan 8.300 nan 0.000 0.630 347 Y N 1.907 121.955 120.300 -0.420 0.000 2.655 347 Y HA 0.770 5.323 4.550 0.004 0.000 0.336 347 Y C -2.111 173.513 175.900 -0.460 0.000 1.154 347 Y CA -2.272 55.715 58.100 -0.188 0.000 1.055 347 Y CB 1.145 39.653 38.460 0.079 0.000 1.295 347 Y HN 0.174 nan 8.280 nan 0.000 0.465 348 F N 1.211 121.194 119.950 0.057 0.000 2.436 348 F HA 0.475 5.004 4.527 0.004 0.000 0.340 348 F C -0.044 175.857 175.800 0.168 0.000 1.113 348 F CA -0.555 57.417 58.000 -0.048 0.000 1.022 348 F CB 1.910 40.904 39.000 -0.010 0.000 1.128 348 F HN 0.522 nan 8.300 nan 0.000 0.466 349 E N 2.438 122.765 120.200 0.210 0.000 2.133 349 E HA 0.559 4.912 4.350 0.005 0.000 0.274 349 E C -1.445 175.308 176.600 0.254 0.000 0.930 349 E CA -0.554 56.008 56.400 0.270 0.000 0.770 349 E CB 1.614 31.407 29.700 0.156 0.000 1.104 349 E HN 0.363 nan 8.360 nan 0.000 0.403 350 V N 5.066 125.190 119.914 0.349 0.000 2.448 350 V HA 0.185 4.308 4.120 0.005 0.000 0.295 350 V C -0.014 176.289 176.094 0.347 0.000 1.025 350 V CA -1.020 61.488 62.300 0.347 0.000 0.859 350 V CB 1.595 33.626 31.823 0.348 0.000 0.988 350 V HN 0.828 nan 8.190 nan 0.000 0.431 351 N N 4.037 122.891 118.700 0.257 0.000 2.708 351 N HA -0.238 4.505 4.740 0.005 0.000 0.251 351 N C 1.199 176.800 175.510 0.152 0.000 1.017 351 N CA 1.509 54.675 53.050 0.193 0.000 0.742 351 N CB -0.911 37.697 38.487 0.201 0.000 0.943 351 N HN 1.535 nan 8.380 nan 0.000 0.539 352 G N -1.605 107.285 108.800 0.151 0.000 2.176 352 G HA2 -0.307 3.656 3.960 0.005 0.000 0.253 352 G HA3 -0.307 3.656 3.960 0.005 0.000 0.253 352 G C 0.042 175.025 174.900 0.139 0.000 0.979 352 G CA 0.380 45.550 45.100 0.117 0.000 0.641 352 G HN 0.490 nan 8.290 nan 0.000 0.530 353 I N 1.570 122.266 120.570 0.209 0.000 2.406 353 I HA 0.392 4.565 4.170 0.005 0.000 0.290 353 I C -2.373 173.990 176.117 0.410 0.000 0.999 353 I CA -2.732 58.700 61.300 0.220 0.000 1.124 353 I CB 2.257 40.257 38.000 -0.001 0.000 1.289 353 I HN -0.209 nan 8.210 nan 0.000 0.441 354 P HA 0.077 nan 4.420 nan 0.000 0.262 354 P C -0.740 176.862 177.300 0.502 0.000 1.199 354 P CA 0.071 63.404 63.100 0.389 0.000 0.763 354 P CB 0.417 32.205 31.700 0.146 0.000 0.790 355 M N 5.576 125.432 119.600 0.426 0.000 2.078 355 M HA 0.356 4.839 4.480 0.005 0.000 0.320 355 M C -1.045 175.342 176.300 0.144 0.000 0.969 355 M CA -1.140 54.257 55.300 0.161 0.000 0.929 355 M CB 0.482 32.942 32.600 -0.234 0.000 1.504 355 M HN 0.145 nan 8.290 nan 0.000 0.419 356 F N 4.352 124.315 119.950 0.022 0.000 2.541 356 F HA 0.420 4.949 4.527 0.004 0.000 0.378 356 F C 0.137 175.864 175.800 -0.123 0.000 1.068 356 F CA -0.127 57.873 58.000 -0.001 0.000 1.199 356 F CB 0.550 39.543 39.000 -0.011 0.000 1.091 356 F HN 0.662 nan 8.300 nan 0.000 0.555 357 A N 7.035 129.556 122.820 -0.498 0.000 2.366 357 A HA 0.476 4.799 4.320 0.005 0.000 0.272 357 A C -0.561 176.751 177.584 -0.453 0.000 1.135 357 A CA -0.591 51.227 52.037 -0.366 0.000 0.804 357 A CB 0.322 19.238 19.000 -0.140 0.000 1.064 357 A HN 0.816 nan 8.150 nan 0.000 0.499 358 K N 1.990 122.115 120.400 -0.459 0.000 2.579 358 K HA 0.591 4.914 4.320 0.005 0.000 0.250 358 K C 0.061 176.225 176.600 -0.726 0.000 0.952 358 K CA -0.107 55.638 56.287 -0.904 0.000 0.857 358 K CB 2.094 33.797 32.500 -1.328 0.000 1.123 358 K HN 1.023 nan 8.250 nan 0.000 0.433 359 G N 1.029 109.589 108.800 -0.400 0.000 2.510 359 G HA2 0.761 4.724 3.960 0.005 0.000 0.277 359 G HA3 0.761 4.724 3.960 0.005 0.000 0.277 359 G C -1.788 172.955 174.900 -0.261 0.000 1.223 359 G CA -0.184 44.797 45.100 -0.198 0.000 0.887 359 G HN 0.619 nan 8.290 nan 0.000 0.485 360 A N -0.979 121.582 122.820 -0.430 0.000 2.599 360 A HA 0.744 5.067 4.320 0.005 0.000 0.290 360 A C -1.296 175.995 177.584 -0.489 0.000 1.101 360 A CA -0.726 50.870 52.037 -0.734 0.000 0.674 360 A CB 1.016 19.225 19.000 -1.317 0.000 1.277 360 A HN 0.552 nan 8.150 nan 0.000 0.419 361 N N 0.595 118.961 118.700 -0.557 0.000 2.472 361 N HA 0.347 5.090 4.740 0.005 0.000 0.277 361 N C -1.513 173.635 175.510 -0.603 0.000 1.081 361 N CA 0.255 53.006 53.050 -0.498 0.000 0.973 361 N CB 1.354 39.500 38.487 -0.568 0.000 1.105 361 N HN 0.637 nan 8.380 nan 0.000 0.470 362 Y N 3.472 123.482 120.300 -0.482 0.000 2.342 362 Y HA 0.484 5.037 4.550 0.005 0.000 0.334 362 Y C -0.082 175.566 175.900 -0.419 0.000 1.067 362 Y CA -0.839 56.999 58.100 -0.437 0.000 1.128 362 Y CB 0.637 38.963 38.460 -0.224 0.000 1.200 362 Y HN 0.445 nan 8.280 nan 0.000 0.464 363 I N 3.512 123.348 120.570 -1.222 0.000 3.023 363 I HA 0.740 4.912 4.170 0.005 0.000 0.312 363 I C -2.820 172.543 176.117 -1.257 0.000 1.056 363 I CA -3.264 57.409 61.300 -1.046 0.000 1.033 363 I CB 1.897 39.102 38.000 -1.325 0.000 1.233 363 I HN 0.393 nan 8.210 nan 0.000 0.462 364 P HA 0.034 nan 4.420 nan 0.000 0.265 364 P C -0.560 176.468 177.300 -0.452 0.000 1.187 364 P CA 0.247 62.993 63.100 -0.591 0.000 0.766 364 P CB 0.380 31.597 31.700 -0.804 0.000 0.820 365 Q N 0.551 120.212 119.800 -0.231 0.000 2.444 365 Q HA 0.046 4.389 4.340 0.005 0.000 0.206 365 Q C 0.151 176.198 176.000 0.079 0.000 0.948 365 Q CA 0.786 56.504 55.803 -0.141 0.000 0.946 365 Q CB 0.280 28.933 28.738 -0.143 0.000 1.027 365 Q HN 0.504 nan 8.270 nan 0.000 0.513 366 D N -2.277 118.212 120.400 0.148 0.000 2.717 366 D HA 0.216 4.859 4.640 0.005 0.000 0.223 366 D C -0.312 176.199 176.300 0.351 0.000 1.240 366 D CA -0.051 54.138 54.000 0.315 0.000 0.801 366 D CB 1.520 42.518 40.800 0.330 0.000 1.556 366 D HN -0.057 nan 8.370 nan 0.000 0.462 367 A N 2.519 125.555 122.820 0.360 0.000 1.986 367 A HA -0.041 4.282 4.320 0.005 0.000 0.220 367 A C 1.061 178.705 177.584 0.100 0.000 1.171 367 A CA 1.110 53.280 52.037 0.221 0.000 0.640 367 A CB -0.168 18.933 19.000 0.170 0.000 0.811 367 A HN 0.482 nan 8.150 nan 0.000 0.451 368 L N 0.302 121.613 121.223 0.146 0.000 2.356 368 L HA 0.295 4.638 4.340 0.005 0.000 0.264 368 L C 0.610 177.568 176.870 0.148 0.000 1.029 368 L CA -0.519 54.358 54.840 0.063 0.000 0.897 368 L CB 1.246 43.299 42.059 -0.009 0.000 1.256 368 L HN 0.212 nan 8.230 nan 0.000 0.444 369 L N 3.021 124.355 121.223 0.186 0.000 2.043 369 L HA -0.154 4.189 4.340 0.005 0.000 0.212 369 L C -0.418 176.625 176.870 0.290 0.000 1.075 369 L CA 1.615 56.629 54.840 0.289 0.000 0.752 369 L CB -1.146 41.161 42.059 0.413 0.000 0.891 369 L HN 0.525 nan 8.230 nan 0.000 0.432 370 P HA -0.040 nan 4.420 nan 0.000 0.237 370 P C 0.634 178.021 177.300 0.144 0.000 1.178 370 P CA 0.806 64.019 63.100 0.190 0.000 0.766 370 P CB -0.104 31.667 31.700 0.119 0.000 0.876 371 N N -0.619 118.164 118.700 0.138 0.000 2.512 371 N HA -0.026 4.717 4.740 0.005 0.000 0.183 371 N C 0.074 175.664 175.510 0.133 0.000 1.073 371 N CA 0.440 53.564 53.050 0.124 0.000 0.911 371 N CB -0.378 38.188 38.487 0.132 0.000 0.964 371 N HN 0.042 nan 8.380 nan 0.000 0.447 372 V N 2.041 122.047 119.914 0.152 0.000 2.389 372 V HA 0.134 4.257 4.120 0.005 0.000 0.264 372 V C 0.841 177.045 176.094 0.183 0.000 1.049 372 V CA -0.600 61.757 62.300 0.094 0.000 0.932 372 V CB 0.329 32.127 31.823 -0.041 0.000 1.011 372 V HN 0.197 nan 8.190 nan 0.000 0.475 373 T N 1.179 115.818 114.554 0.141 0.000 2.816 373 T HA 0.145 4.498 4.350 0.005 0.000 0.282 373 T C 1.409 176.276 174.700 0.279 0.000 0.993 373 T CA 0.048 62.255 62.100 0.179 0.000 0.994 373 T CB 1.084 70.021 68.868 0.115 0.000 1.025 373 T HN 0.553 nan 8.240 nan 0.000 0.529 374 T N 1.175 115.871 114.554 0.237 0.000 2.699 374 T HA -0.139 4.214 4.350 0.005 0.000 0.268 374 T C 1.766 176.593 174.700 0.211 0.000 1.036 374 T CA 2.040 64.277 62.100 0.228 0.000 1.147 374 T CB -0.489 68.453 68.868 0.123 0.000 0.862 374 T HN 0.741 nan 8.240 nan 0.000 0.446 375 E N 0.841 121.128 120.200 0.144 0.000 2.077 375 E HA -0.046 4.307 4.350 0.005 0.000 0.193 375 E C 2.417 179.078 176.600 0.102 0.000 0.989 375 E CA 0.989 57.453 56.400 0.106 0.000 0.800 375 E CB -0.193 29.552 29.700 0.076 0.000 0.746 375 E HN 0.422 nan 8.360 nan 0.000 0.452 376 R N -0.712 119.838 120.500 0.083 0.000 2.075 376 R HA -0.096 4.247 4.340 0.005 0.000 0.232 376 R C 2.157 178.475 176.300 0.030 0.000 1.126 376 R CA 1.228 57.335 56.100 0.011 0.000 0.963 376 R CB -0.404 29.856 30.300 -0.065 0.000 0.858 376 R HN 0.252 nan 8.270 nan 0.000 0.435 377 Y N 1.293 121.667 120.300 0.123 0.000 2.145 377 Y HA -0.255 4.298 4.550 0.005 0.000 0.286 377 Y C 2.572 178.582 175.900 0.183 0.000 1.145 377 Y CA 1.591 59.797 58.100 0.176 0.000 1.148 377 Y CB -0.306 38.261 38.460 0.178 0.000 0.981 377 Y HN 0.103 nan 8.280 nan 0.000 0.507 378 Q N -0.770 119.196 119.800 0.276 0.000 2.061 378 Q HA -0.191 4.152 4.340 0.005 0.000 0.204 378 Q C 2.154 178.255 176.000 0.167 0.000 0.984 378 Q CA 2.328 58.243 55.803 0.187 0.000 0.846 378 Q CB -0.422 28.387 28.738 0.117 0.000 0.902 378 Q HN 0.431 nan 8.270 nan 0.000 0.421 379 T N 1.082 115.709 114.554 0.121 0.000 2.821 379 T HA -0.115 4.238 4.350 0.005 0.000 0.267 379 T C 1.671 176.411 174.700 0.067 0.000 1.046 379 T CA 0.693 62.846 62.100 0.088 0.000 1.139 379 T CB -0.200 68.703 68.868 0.059 0.000 0.871 379 T HN 0.065 nan 8.240 nan 0.000 0.454 380 L N 0.553 121.792 121.223 0.026 0.000 2.042 380 L HA 0.049 4.392 4.340 0.005 0.000 0.210 380 L C 1.918 178.658 176.870 -0.218 0.000 1.076 380 L CA 1.589 56.366 54.840 -0.105 0.000 0.749 380 L CB -1.019 40.956 42.059 -0.140 0.000 0.893 380 L HN 0.208 nan 8.230 nan 0.000 0.432 381 F N -0.554 119.346 119.950 -0.084 0.000 2.234 381 F HA -0.153 4.377 4.527 0.005 0.000 0.299 381 F C 2.706 178.485 175.800 -0.036 0.000 1.087 381 F CA 1.446 59.379 58.000 -0.113 0.000 1.340 381 F CB -0.384 38.517 39.000 -0.164 0.000 1.031 381 F HN 0.076 nan 8.300 nan 0.000 0.500 382 R N 0.565 121.158 120.500 0.154 0.000 2.096 382 R HA -0.157 4.186 4.340 0.005 0.000 0.235 382 R C 1.674 178.079 176.300 0.175 0.000 1.127 382 R CA 1.928 58.114 56.100 0.144 0.000 0.968 382 R CB -0.335 30.044 30.300 0.132 0.000 0.861 382 R HN 0.143 nan 8.270 nan 0.000 0.440 383 D N 0.354 120.841 120.400 0.145 0.000 2.117 383 D HA -0.173 4.470 4.640 0.005 0.000 0.198 383 D C 1.980 178.343 176.300 0.104 0.000 0.982 383 D CA 1.522 55.620 54.000 0.163 0.000 0.828 383 D CB -0.152 40.588 40.800 -0.099 0.000 0.967 383 D HN 0.354 nan 8.370 nan 0.000 0.464 384 M N 0.366 119.943 119.600 -0.039 0.000 2.077 384 M HA -0.125 4.357 4.480 0.005 0.000 0.261 384 M C 2.289 178.596 176.300 0.012 0.000 1.070 384 M CA 1.207 56.470 55.300 -0.062 0.000 1.125 384 M CB -0.256 32.206 32.600 -0.230 0.000 1.339 384 M HN -0.127 nan 8.290 nan 0.000 0.409 385 K N 0.904 121.332 120.400 0.046 0.000 2.032 385 K HA -0.200 4.123 4.320 0.005 0.000 0.209 385 K C 1.711 178.368 176.600 0.097 0.000 1.048 385 K CA 1.730 58.056 56.287 0.064 0.000 0.927 385 K CB -0.045 32.504 32.500 0.081 0.000 0.712 385 K HN 0.349 nan 8.250 nan 0.000 0.441 386 E N -0.431 119.866 120.200 0.162 0.000 2.153 386 E HA -0.159 4.194 4.350 0.005 0.000 0.194 386 E C 1.324 178.046 176.600 0.202 0.000 0.988 386 E CA 0.933 57.471 56.400 0.229 0.000 0.811 386 E CB -0.029 29.896 29.700 0.376 0.000 0.746 386 E HN 0.397 nan 8.360 nan 0.000 0.466 387 A N 1.082 123.960 122.820 0.097 0.000 2.327 387 A HA 0.000 4.323 4.320 0.005 0.000 0.228 387 A C 0.132 177.773 177.584 0.095 0.000 1.275 387 A CA -0.122 51.886 52.037 -0.047 0.000 0.875 387 A CB -0.147 18.591 19.000 -0.436 0.000 0.925 387 A HN 0.214 nan 8.150 nan 0.000 0.493 388 N N -1.123 117.637 118.700 0.100 0.000 2.741 388 N HA -0.155 4.588 4.740 0.005 0.000 0.250 388 N C -0.168 175.360 175.510 0.030 0.000 1.115 388 N CA 1.312 54.415 53.050 0.089 0.000 0.724 388 N CB -1.688 36.880 38.487 0.136 0.000 1.090 388 N HN 0.653 nan 8.380 nan 0.000 0.558 389 M N 0.602 120.209 119.600 0.012 0.000 2.241 389 M HA 0.103 4.586 4.480 0.005 0.000 0.335 389 M C 1.404 177.607 176.300 -0.162 0.000 1.122 389 M CA 0.321 55.553 55.300 -0.113 0.000 1.164 389 M CB 0.364 32.916 32.600 -0.080 0.000 1.459 389 M HN 0.171 nan 8.290 nan 0.000 0.461 390 N N 0.899 119.459 118.700 -0.234 0.000 2.143 390 N HA 0.302 5.044 4.740 0.005 0.000 0.229 390 N C -0.682 174.720 175.510 -0.180 0.000 1.294 390 N CA -0.229 52.695 53.050 -0.210 0.000 0.883 390 N CB 0.798 39.108 38.487 -0.296 0.000 1.148 390 N HN 0.703 nan 8.380 nan 0.000 0.511 391 M N 0.439 119.927 119.600 -0.186 0.000 2.413 391 M HA 0.487 4.970 4.480 0.005 0.000 0.287 391 M C -2.172 174.043 176.300 -0.141 0.000 1.186 391 M CA -0.883 54.326 55.300 -0.151 0.000 0.927 391 M CB 2.517 35.010 32.600 -0.178 0.000 1.715 391 M HN -0.159 nan 8.290 nan 0.000 0.478 392 V N 4.257 124.115 119.914 -0.094 0.000 2.638 392 V HA 0.632 4.755 4.120 0.005 0.000 0.306 392 V C -1.363 174.712 176.094 -0.031 0.000 1.052 392 V CA -0.596 61.639 62.300 -0.108 0.000 0.885 392 V CB 2.237 33.976 31.823 -0.141 0.000 0.999 392 V HN 0.962 nan 8.190 nan 0.000 0.424 393 R N 6.336 126.777 120.500 -0.098 0.000 2.202 393 R HA 0.521 4.863 4.340 0.005 0.000 0.334 393 R C -0.619 175.685 176.300 0.007 0.000 1.036 393 R CA -0.516 55.511 56.100 -0.121 0.000 0.878 393 R CB 0.735 30.760 30.300 -0.458 0.000 1.067 393 R HN 0.781 nan 8.270 nan 0.000 0.457 394 I N 6.192 126.804 120.570 0.070 0.000 2.293 394 I HA 0.050 4.223 4.170 0.005 0.000 0.299 394 I C 0.109 176.313 176.117 0.145 0.000 1.153 394 I CA -0.405 60.952 61.300 0.096 0.000 1.302 394 I CB -0.064 37.900 38.000 -0.060 0.000 1.460 394 I HN 0.609 nan 8.210 nan 0.000 0.552 395 W N 5.990 127.276 121.300 -0.024 0.000 2.158 395 W HA 0.265 4.928 4.660 0.004 0.000 0.339 395 W C 1.339 177.849 176.519 -0.015 0.000 1.294 395 W CA -0.412 56.955 57.345 0.036 0.000 1.231 395 W CB 0.888 30.448 29.460 0.167 0.000 1.143 395 W HN 0.551 nan 8.180 nan 0.000 0.571 396 G N 2.898 111.255 108.800 -0.737 0.000 2.807 396 G HA2 0.002 3.965 3.960 0.005 0.000 0.207 396 G HA3 0.002 3.965 3.960 0.005 0.000 0.207 396 G C 0.973 175.247 174.900 -1.042 0.000 1.151 396 G CA 0.387 45.054 45.100 -0.721 0.000 0.800 396 G HN 0.864 nan 8.290 nan 0.000 0.523 397 G N -0.612 106.984 108.800 -2.008 0.000 3.189 397 G HA2 0.449 4.412 3.960 0.005 0.000 0.225 397 G HA3 0.449 4.412 3.960 0.005 0.000 0.225 397 G C 0.786 175.452 174.900 -0.389 0.000 1.159 397 G CA 0.620 44.882 45.100 -1.397 0.000 0.763 397 G HN 0.516 nan 8.290 nan 0.000 0.549 398 G N 0.118 108.750 108.800 -0.280 0.000 3.392 398 G HA2 0.533 4.496 3.960 0.005 0.000 0.188 398 G HA3 0.533 4.496 3.960 0.005 0.000 0.188 398 G C 0.120 174.976 174.900 -0.074 0.000 1.485 398 G CA 0.565 45.587 45.100 -0.130 0.000 0.943 398 G HN 0.572 nan 8.290 nan 0.000 0.627 399 T N -2.970 111.544 114.554 -0.067 0.000 2.907 399 T HA 0.571 4.924 4.350 0.005 0.000 0.290 399 T C -1.171 173.427 174.700 -0.170 0.000 1.066 399 T CA -0.727 61.376 62.100 0.005 0.000 1.012 399 T CB 1.471 70.540 68.868 0.335 0.000 1.184 399 T HN 0.281 nan 8.240 nan 0.000 0.522 400 Y N 1.425 121.757 120.300 0.052 0.000 2.496 400 Y HA 0.316 4.869 4.550 0.005 0.000 0.334 400 Y C 1.400 177.401 175.900 0.170 0.000 1.080 400 Y CA -0.528 57.616 58.100 0.073 0.000 1.355 400 Y CB 0.226 38.735 38.460 0.081 0.000 1.193 400 Y HN 0.506 nan 8.280 nan 0.000 0.523 401 E N 2.726 123.037 120.200 0.185 0.000 2.409 401 E HA -0.025 4.328 4.350 0.005 0.000 0.257 401 E C 0.005 176.737 176.600 0.219 0.000 1.150 401 E CA -0.276 56.195 56.400 0.119 0.000 0.942 401 E CB 0.426 29.873 29.700 -0.422 0.000 0.979 401 E HN 0.732 nan 8.360 nan 0.000 0.447 402 N N 1.310 120.112 118.700 0.170 0.000 2.326 402 N HA -0.053 4.690 4.740 0.005 0.000 0.239 402 N C 0.501 176.054 175.510 0.072 0.000 1.301 402 N CA -0.144 52.947 53.050 0.068 0.000 0.909 402 N CB 0.235 38.703 38.487 -0.031 0.000 1.156 402 N HN 0.220 nan 8.380 nan 0.000 0.462 403 N N -0.237 118.479 118.700 0.027 0.000 2.205 403 N HA -0.150 4.593 4.740 0.005 0.000 0.186 403 N C 1.444 176.958 175.510 0.006 0.000 1.015 403 N CA 0.674 53.758 53.050 0.056 0.000 0.862 403 N CB -0.496 38.028 38.487 0.062 0.000 0.986 403 N HN 0.567 nan 8.380 nan 0.000 0.429 404 L N 0.388 121.550 121.223 -0.101 0.000 2.017 404 L HA -0.074 4.269 4.340 0.005 0.000 0.208 404 L C 2.095 178.814 176.870 -0.253 0.000 1.073 404 L CA 1.337 56.058 54.840 -0.198 0.000 0.745 404 L CB -0.936 40.932 42.059 -0.317 0.000 0.894 404 L HN 0.064 nan 8.230 nan 0.000 0.432 405 F N -1.013 118.696 119.950 -0.402 0.000 2.091 405 F HA -0.349 4.181 4.527 0.005 0.000 0.299 405 F C 2.098 177.623 175.800 -0.458 0.000 1.103 405 F CA 1.999 59.833 58.000 -0.277 0.000 1.228 405 F CB -0.378 38.558 39.000 -0.106 0.000 0.984 405 F HN 0.149 nan 8.300 nan 0.000 0.477 406 Y N 0.551 120.762 120.300 -0.148 0.000 2.220 406 Y HA -0.198 4.354 4.550 0.005 0.000 0.291 406 Y C 2.369 177.948 175.900 -0.534 0.000 1.129 406 Y CA 1.542 59.356 58.100 -0.476 0.000 1.161 406 Y CB -0.657 37.191 38.460 -1.019 0.000 0.997 406 Y HN 0.037 nan 8.280 nan 0.000 0.522 407 D N 0.021 120.293 120.400 -0.213 0.000 2.149 407 D HA -0.183 4.460 4.640 0.005 0.000 0.198 407 D C 2.142 178.283 176.300 -0.264 0.000 0.990 407 D CA 1.292 55.236 54.000 -0.093 0.000 0.839 407 D CB -0.334 40.444 40.800 -0.037 0.000 0.948 407 D HN 0.324 nan 8.370 nan 0.000 0.460 408 L N 0.410 121.285 121.223 -0.580 0.000 2.044 408 L HA -0.058 4.285 4.340 0.005 0.000 0.205 408 L C 2.571 178.815 176.870 -1.043 0.000 1.075 408 L CA 0.901 55.201 54.840 -0.901 0.000 0.747 408 L CB -0.394 40.826 42.059 -1.398 0.000 0.903 408 L HN -0.046 nan 8.230 nan 0.000 0.435 409 A N 0.236 122.332 122.820 -1.208 0.000 1.892 409 A HA -0.284 4.039 4.320 0.005 0.000 0.218 409 A C 1.898 179.444 177.584 -0.064 0.000 1.188 409 A CA 2.246 53.993 52.037 -0.483 0.000 0.631 409 A CB -0.697 18.115 19.000 -0.314 0.000 0.822 409 A HN 0.371 nan 8.150 nan 0.000 0.447 410 D N -0.233 120.153 120.400 -0.024 0.000 2.127 410 D HA -0.213 4.430 4.640 0.005 0.000 0.190 410 D C 1.987 178.493 176.300 0.343 0.000 1.000 410 D CA 1.859 55.982 54.000 0.205 0.000 0.839 410 D CB -0.543 40.333 40.800 0.127 0.000 0.955 410 D HN 0.880 nan 8.370 nan 0.000 0.446 411 E N -0.098 120.162 120.200 0.099 0.000 2.427 411 E HA -0.064 4.289 4.350 0.005 0.000 0.196 411 E C 0.986 177.599 176.600 0.022 0.000 1.028 411 E CA 0.578 57.021 56.400 0.072 0.000 0.864 411 E CB -0.105 29.600 29.700 0.009 0.000 0.813 411 E HN 0.185 nan 8.360 nan 0.000 0.514 412 N N 0.612 119.315 118.700 0.005 0.000 2.230 412 N HA 0.059 4.802 4.740 0.005 0.000 0.202 412 N C 0.439 175.943 175.510 -0.009 0.000 1.119 412 N CA 0.643 53.699 53.050 0.009 0.000 0.851 412 N CB 1.220 39.745 38.487 0.063 0.000 0.990 412 N HN 0.353 nan 8.380 nan 0.000 0.497 413 G N 1.762 110.563 108.800 0.002 0.000 2.323 413 G HA2 -0.230 3.733 3.960 0.005 0.000 0.292 413 G HA3 -0.230 3.733 3.960 0.005 0.000 0.292 413 G C -0.243 174.659 174.900 0.002 0.000 1.040 413 G CA -0.068 44.917 45.100 -0.192 0.000 0.942 413 G HN 0.199 nan 8.290 nan 0.000 0.506 414 I N 0.407 121.099 120.570 0.203 0.000 2.355 414 I HA 0.396 4.569 4.170 0.005 0.000 0.288 414 I C 0.719 176.947 176.117 0.184 0.000 0.999 414 I CA -1.658 59.716 61.300 0.123 0.000 1.163 414 I CB 1.132 39.213 38.000 0.135 0.000 1.316 414 I HN -0.047 nan 8.210 nan 0.000 0.454 415 L N 6.869 128.167 121.223 0.124 0.000 2.456 415 L HA 0.162 4.505 4.340 0.005 0.000 0.272 415 L C 0.196 177.073 176.870 0.013 0.000 1.189 415 L CA 0.363 55.247 54.840 0.074 0.000 0.846 415 L CB 0.599 42.625 42.059 -0.056 0.000 1.111 415 L HN 0.237 nan 8.230 nan 0.000 0.475 416 V N 2.421 122.348 119.914 0.022 0.000 2.384 416 V HA 0.251 4.374 4.120 0.005 0.000 0.287 416 V C -0.741 175.423 176.094 0.117 0.000 1.020 416 V CA -0.720 61.606 62.300 0.044 0.000 0.850 416 V CB 1.537 33.353 31.823 -0.013 0.000 0.987 416 V HN 0.720 nan 8.190 nan 0.000 0.436 417 W N 5.895 127.170 121.300 -0.042 0.000 2.308 417 W HA 0.545 5.208 4.660 0.005 0.000 0.311 417 W C -0.495 176.007 176.519 -0.028 0.000 1.088 417 W CA -1.179 56.176 57.345 0.016 0.000 1.309 417 W CB 1.319 30.844 29.460 0.108 0.000 1.229 417 W HN 0.620 nan 8.180 nan 0.000 0.427 418 Q N 4.724 124.628 119.800 0.172 0.000 2.398 418 Q HA 0.203 4.546 4.340 0.005 0.000 0.251 418 Q C -0.762 175.333 176.000 0.158 0.000 0.999 418 Q CA -0.109 55.708 55.803 0.022 0.000 0.874 418 Q CB 0.504 28.959 28.738 -0.470 0.000 1.215 418 Q HN 0.289 nan 8.270 nan 0.000 0.470 419 D N 2.930 123.495 120.400 0.275 0.000 2.414 419 D HA 0.101 4.744 4.640 0.005 0.000 0.242 419 D C -0.373 176.008 176.300 0.134 0.000 1.129 419 D CA 0.264 54.422 54.000 0.263 0.000 0.885 419 D CB 0.381 41.276 40.800 0.158 0.000 1.198 419 D HN 0.405 nan 8.370 nan 0.000 0.437 420 F N 0.809 120.990 119.950 0.385 0.000 2.440 420 F HA 0.116 4.646 4.527 0.005 0.000 0.323 420 F C 1.404 177.180 175.800 -0.040 0.000 1.192 420 F CA -0.378 57.833 58.000 0.351 0.000 1.252 420 F CB 0.424 39.785 39.000 0.602 0.000 1.214 420 F HN 0.058 nan 8.300 nan 0.000 0.578 421 M N 3.510 122.925 119.600 -0.309 0.000 3.586 421 M HA 0.208 4.691 4.480 0.005 0.000 0.225 421 M C -1.538 174.221 176.300 -0.901 0.000 1.428 421 M CA 0.156 55.013 55.300 -0.737 0.000 1.613 421 M CB -1.652 30.229 32.600 -1.197 0.000 1.063 421 M HN 0.283 nan 8.290 nan 0.000 0.593 422 F N 0.518 120.396 119.950 -0.120 0.000 2.573 422 F HA 0.701 5.231 4.527 0.005 0.000 0.316 422 F C -0.210 175.617 175.800 0.046 0.000 1.148 422 F CA -0.983 56.951 58.000 -0.110 0.000 0.940 422 F CB 1.785 40.776 39.000 -0.016 0.000 1.214 422 F HN 0.325 nan 8.300 nan 0.000 0.448 423 A N 1.442 124.510 122.820 0.414 0.000 2.437 423 A HA 0.630 4.953 4.320 0.005 0.000 0.293 423 A C 0.139 178.048 177.584 0.541 0.000 1.038 423 A CA -0.576 51.651 52.037 0.317 0.000 0.708 423 A CB 0.762 19.695 19.000 -0.111 0.000 1.251 423 A HN 1.120 nan 8.150 nan 0.000 0.409 424 C N 0.056 119.625 119.300 0.449 0.000 5.812 424 C HA -0.149 4.314 4.460 0.005 0.000 0.308 424 C C 1.118 176.332 174.990 0.373 0.000 2.271 424 C CA 1.641 60.939 59.018 0.467 0.000 2.025 424 C CB -2.042 26.077 27.740 0.632 0.000 3.036 424 C HN 1.586 nan 8.230 nan 0.000 0.372 425 T N 1.105 115.841 114.554 0.304 0.000 2.924 425 T HA 0.641 4.994 4.350 0.005 0.000 0.291 425 T C -2.855 171.948 174.700 0.172 0.000 1.045 425 T CA -1.362 60.845 62.100 0.179 0.000 1.015 425 T CB 2.163 70.995 68.868 -0.060 0.000 1.103 425 T HN 0.064 nan 8.240 nan 0.000 0.496 426 P HA 0.314 nan 4.420 nan 0.000 0.272 426 P C -1.326 175.970 177.300 -0.005 0.000 1.230 426 P CA -0.081 63.176 63.100 0.263 0.000 0.788 426 P CB 0.239 32.080 31.700 0.234 0.000 0.949 427 Y N -0.154 120.202 120.300 0.093 0.000 2.630 427 Y HA 0.462 5.015 4.550 0.005 0.000 0.337 427 Y C -1.772 173.920 175.900 -0.347 0.000 1.051 427 Y CA -2.301 55.636 58.100 -0.272 0.000 1.121 427 Y CB 0.597 39.095 38.460 0.064 0.000 1.299 427 Y HN 0.277 nan 8.280 nan 0.000 0.498 428 P HA 0.039 nan 4.420 nan 0.000 0.270 428 P C -0.404 176.811 177.300 -0.141 0.000 1.227 428 P CA 0.231 63.089 63.100 -0.404 0.000 0.788 428 P CB 0.523 31.751 31.700 -0.786 0.000 0.926 429 S N -2.244 113.489 115.700 0.056 0.000 3.025 429 S HA 0.122 4.595 4.470 0.005 0.000 0.251 429 S C -0.106 174.574 174.600 0.134 0.000 0.954 429 S CA -0.721 57.558 58.200 0.133 0.000 1.092 429 S CB -0.624 62.614 63.200 0.063 0.000 1.079 429 S HN 0.475 nan 8.310 nan 0.000 0.543 430 D N 1.426 121.927 120.400 0.168 0.000 2.358 430 D HA 0.231 4.874 4.640 0.005 0.000 0.244 430 D C -2.043 174.339 176.300 0.137 0.000 1.163 430 D CA -1.348 52.734 54.000 0.136 0.000 0.945 430 D CB 0.743 41.625 40.800 0.137 0.000 1.152 430 D HN -0.059 nan 8.370 nan 0.000 0.451 431 P HA -0.143 nan 4.420 nan 0.000 0.216 431 P C 1.385 178.730 177.300 0.074 0.000 1.153 431 P CA 1.656 64.791 63.100 0.059 0.000 0.858 431 P CB 0.062 31.783 31.700 0.035 0.000 0.789 432 T N -1.304 113.314 114.554 0.105 0.000 2.777 432 T HA -0.133 4.220 4.350 0.005 0.000 0.266 432 T C 1.430 176.219 174.700 0.149 0.000 1.040 432 T CA 0.901 63.067 62.100 0.110 0.000 1.141 432 T CB -0.964 67.979 68.868 0.125 0.000 0.868 432 T HN 0.020 nan 8.240 nan 0.000 0.444 433 F N 1.550 121.541 119.950 0.068 0.000 2.161 433 F HA -0.008 4.521 4.527 0.005 0.000 0.300 433 F C 1.816 177.640 175.800 0.041 0.000 1.089 433 F CA 1.127 59.178 58.000 0.085 0.000 1.282 433 F CB -0.324 38.741 39.000 0.108 0.000 1.010 433 F HN 0.072 nan 8.300 nan 0.000 0.485 434 L N -0.761 120.487 121.223 0.041 0.000 2.179 434 L HA -0.151 4.192 4.340 0.005 0.000 0.208 434 L C 2.499 179.287 176.870 -0.136 0.000 1.096 434 L CA 0.744 55.523 54.840 -0.102 0.000 0.779 434 L CB -0.745 41.282 42.059 -0.053 0.000 0.922 434 L HN -0.158 nan 8.230 nan 0.000 0.443 435 K N 0.105 120.462 120.400 -0.072 0.000 2.063 435 K HA -0.142 4.181 4.320 0.005 0.000 0.208 435 K C 2.176 178.725 176.600 -0.087 0.000 1.048 435 K CA 1.358 57.606 56.287 -0.065 0.000 0.928 435 K CB -0.404 32.085 32.500 -0.019 0.000 0.713 435 K HN 0.408 nan 8.250 nan 0.000 0.442 436 R N -0.201 120.237 120.500 -0.104 0.000 2.081 436 R HA -0.051 4.292 4.340 0.005 0.000 0.235 436 R C 2.393 178.598 176.300 -0.159 0.000 1.131 436 R CA 1.623 57.657 56.100 -0.111 0.000 0.960 436 R CB -0.659 29.567 30.300 -0.124 0.000 0.856 436 R HN 0.140 nan 8.270 nan 0.000 0.436 437 V N 1.149 120.899 119.914 -0.273 0.000 2.343 437 V HA -0.240 3.883 4.120 0.005 0.000 0.247 437 V C 2.299 178.291 176.094 -0.170 0.000 1.051 437 V CA 1.859 64.035 62.300 -0.206 0.000 1.036 437 V CB -0.489 31.167 31.823 -0.279 0.000 0.654 437 V HN 0.391 nan 8.190 nan 0.000 0.451 438 E N 0.224 120.310 120.200 -0.189 0.000 2.085 438 E HA -0.267 4.086 4.350 0.005 0.000 0.194 438 E C 2.261 178.765 176.600 -0.160 0.000 0.994 438 E CA 1.461 57.752 56.400 -0.181 0.000 0.801 438 E CB -0.214 29.398 29.700 -0.146 0.000 0.743 438 E HN 0.573 nan 8.360 nan 0.000 0.453 439 A N 1.863 124.610 122.820 -0.122 0.000 1.865 439 A HA -0.297 4.026 4.320 0.005 0.000 0.217 439 A C 2.095 179.616 177.584 -0.104 0.000 1.191 439 A CA 2.109 54.082 52.037 -0.107 0.000 0.623 439 A CB -0.875 18.080 19.000 -0.076 0.000 0.826 439 A HN 0.596 nan 8.150 nan 0.000 0.444 440 E N 0.026 120.182 120.200 -0.075 0.000 2.106 440 E HA -0.059 4.294 4.350 0.005 0.000 0.192 440 E C 2.027 178.537 176.600 -0.150 0.000 0.984 440 E CA 1.209 57.583 56.400 -0.044 0.000 0.806 440 E CB -0.417 29.340 29.700 0.095 0.000 0.750 440 E HN 0.470 nan 8.360 nan 0.000 0.458 441 A N 1.592 124.322 122.820 -0.150 0.000 1.858 441 A HA -0.109 4.214 4.320 0.005 0.000 0.216 441 A C 2.555 179.948 177.584 -0.318 0.000 1.190 441 A CA 1.662 53.595 52.037 -0.173 0.000 0.617 441 A CB -0.933 17.911 19.000 -0.260 0.000 0.827 441 A HN 0.197 nan 8.150 nan 0.000 0.443 442 V N -1.203 118.489 119.914 -0.369 0.000 2.287 442 V HA -0.311 3.812 4.120 0.005 0.000 0.248 442 V C 2.368 178.190 176.094 -0.454 0.000 1.053 442 V CA 2.312 64.257 62.300 -0.592 0.000 1.027 442 V CB -1.095 30.360 31.823 -0.614 0.000 0.646 442 V HN 0.700 nan 8.190 nan 0.000 0.447 443 Y N 1.843 121.917 120.300 -0.376 0.000 2.097 443 Y HA -0.258 4.295 4.550 0.005 0.000 0.282 443 Y C 2.535 178.265 175.900 -0.283 0.000 1.152 443 Y CA 2.246 60.165 58.100 -0.302 0.000 1.136 443 Y CB -0.409 37.899 38.460 -0.254 0.000 0.975 443 Y HN 0.290 nan 8.280 nan 0.000 0.498 444 N N 0.166 118.618 118.700 -0.413 0.000 2.354 444 N HA -0.090 4.653 4.740 0.005 0.000 0.179 444 N C 1.931 177.285 175.510 -0.261 0.000 1.021 444 N CA 1.434 54.231 53.050 -0.420 0.000 0.887 444 N CB -0.102 38.050 38.487 -0.558 0.000 0.974 444 N HN 0.446 nan 8.380 nan 0.000 0.437 445 I N 1.303 121.670 120.570 -0.340 0.000 2.202 445 I HA -0.206 3.967 4.170 0.005 0.000 0.242 445 I C 2.437 178.400 176.117 -0.257 0.000 1.091 445 I CA 1.045 62.185 61.300 -0.266 0.000 1.368 445 I CB -0.073 37.659 38.000 -0.448 0.000 1.058 445 I HN 0.029 nan 8.210 nan 0.000 0.410 446 R N 0.188 120.458 120.500 -0.383 0.000 2.075 446 R HA -0.122 4.220 4.340 0.005 0.000 0.232 446 R C 2.413 178.495 176.300 -0.364 0.000 1.126 446 R CA 0.950 56.827 56.100 -0.371 0.000 0.963 446 R CB -0.412 29.679 30.300 -0.349 0.000 0.858 446 R HN 0.302 nan 8.270 nan 0.000 0.435 447 R N 1.003 121.227 120.500 -0.459 0.000 2.103 447 R HA -0.127 4.216 4.340 0.005 0.000 0.242 447 R C 1.771 177.895 176.300 -0.293 0.000 1.142 447 R CA 1.494 57.342 56.100 -0.420 0.000 0.960 447 R CB -0.066 29.883 30.300 -0.585 0.000 0.858 447 R HN 0.192 nan 8.270 nan 0.000 0.439 448 L N 0.073 121.141 121.223 -0.259 0.000 2.638 448 L HA 0.157 4.500 4.340 0.005 0.000 0.232 448 L C 2.054 178.814 176.870 -0.184 0.000 1.099 448 L CA -0.070 54.628 54.840 -0.237 0.000 0.883 448 L CB 0.038 41.843 42.059 -0.423 0.000 1.136 448 L HN 0.179 nan 8.230 nan 0.000 0.492 449 R N -0.436 119.944 120.500 -0.201 0.000 2.280 449 R HA -0.001 4.342 4.340 0.005 0.000 0.207 449 R C 0.954 177.132 176.300 -0.202 0.000 1.043 449 R CA 0.787 56.791 56.100 -0.160 0.000 1.006 449 R CB -0.395 29.750 30.300 -0.258 0.000 0.885 449 R HN 0.311 nan 8.270 nan 0.000 0.467 450 N N 0.662 119.127 118.700 -0.391 0.000 2.398 450 N HA -0.019 4.724 4.740 0.005 0.000 0.188 450 N C -0.410 174.806 175.510 -0.490 0.000 1.122 450 N CA 0.256 53.002 53.050 -0.505 0.000 0.866 450 N CB 0.090 38.024 38.487 -0.922 0.000 0.970 450 N HN 0.332 nan 8.380 nan 0.000 0.462 451 H N 0.503 119.414 119.070 -0.265 0.000 2.690 451 H HA 0.181 4.739 4.556 0.005 0.000 0.314 451 H C 1.068 176.225 175.328 -0.284 0.000 1.069 451 H CA -0.217 55.702 56.048 -0.214 0.000 1.436 451 H CB 1.454 31.164 29.762 -0.087 0.000 1.462 451 H HN 0.055 nan 8.280 nan 0.000 0.511 452 A N 3.429 126.064 122.820 -0.309 0.000 1.948 452 A HA -0.245 4.078 4.320 0.005 0.000 0.220 452 A C 2.407 179.487 177.584 -0.841 0.000 1.177 452 A CA 2.100 53.702 52.037 -0.726 0.000 0.636 452 A CB -0.534 17.704 19.000 -1.270 0.000 0.815 452 A HN 0.748 nan 8.150 nan 0.000 0.449 453 S N -0.879 114.545 115.700 -0.459 0.000 2.406 453 S HA 0.026 4.499 4.470 0.005 0.000 0.228 453 S C 0.784 175.334 174.600 -0.083 0.000 1.020 453 S CA 0.562 58.634 58.200 -0.214 0.000 0.965 453 S CB -0.724 62.467 63.200 -0.014 0.000 0.798 453 S HN 0.469 nan 8.310 nan 0.000 0.488 454 L N 2.178 123.390 121.223 -0.020 0.000 2.597 454 L HA 0.474 4.817 4.340 0.005 0.000 0.271 454 L C 0.897 177.723 176.870 -0.073 0.000 1.157 454 L CA 0.112 54.942 54.840 -0.017 0.000 0.928 454 L CB 0.128 42.139 42.059 -0.080 0.000 1.216 454 L HN 0.248 nan 8.230 nan 0.000 0.481 455 A N 6.568 129.364 122.820 -0.040 0.000 2.108 455 A HA 0.467 4.790 4.320 0.005 0.000 0.206 455 A C 0.493 178.125 177.584 0.080 0.000 1.212 455 A CA 0.882 52.951 52.037 0.054 0.000 0.843 455 A CB 0.018 19.086 19.000 0.113 0.000 0.902 455 A HN 0.799 nan 8.150 nan 0.000 0.477 456 M N -4.722 114.846 119.600 -0.054 0.000 2.853 456 M HA 0.567 5.050 4.480 0.005 0.000 0.273 456 M C -2.352 173.784 176.300 -0.272 0.000 1.128 456 M CA -0.705 54.566 55.300 -0.047 0.000 0.814 456 M CB 0.743 33.370 32.600 0.045 0.000 1.667 456 M HN 0.048 nan 8.290 nan 0.000 0.519 457 W N 0.737 122.019 121.300 -0.029 0.000 2.689 457 W HA 0.786 5.449 4.660 0.005 0.000 0.340 457 W C -1.032 175.427 176.519 -0.099 0.000 1.060 457 W CA -0.381 56.956 57.345 -0.015 0.000 1.218 457 W CB 2.049 31.616 29.460 0.180 0.000 1.410 457 W HN 0.887 nan 8.180 nan 0.000 0.528 458 C N 2.046 121.506 119.300 0.266 0.000 2.481 458 C HA 0.586 5.049 4.460 0.005 0.000 0.324 458 C C 1.449 176.683 174.990 0.406 0.000 1.170 458 C CA 0.004 59.095 59.018 0.122 0.000 1.361 458 C CB 0.430 28.343 27.740 0.288 0.000 1.977 458 C HN 0.992 nan 8.230 nan 0.000 0.459 459 G N 4.029 112.980 108.800 0.252 0.000 2.450 459 G HA2 0.046 4.009 3.960 0.005 0.000 0.220 459 G HA3 0.046 4.009 3.960 0.005 0.000 0.220 459 G C 0.261 175.476 174.900 0.526 0.000 1.130 459 G CA 1.349 46.833 45.100 0.640 0.000 0.760 459 G HN 1.166 nan 8.290 nan 0.000 0.557 460 N N -2.650 116.185 118.700 0.224 0.000 3.127 460 N HA 0.168 4.911 4.740 0.005 0.000 0.239 460 N C -1.622 173.967 175.510 0.132 0.000 1.407 460 N CA -0.921 52.212 53.050 0.138 0.000 0.891 460 N CB 0.479 38.830 38.487 -0.227 0.000 1.447 460 N HN -0.052 nan 8.380 nan 0.000 0.507 461 N N 0.272 119.046 118.700 0.123 0.000 2.420 461 N HA 0.240 4.983 4.740 0.005 0.000 0.249 461 N C -0.813 174.813 175.510 0.193 0.000 1.033 461 N CA 0.022 53.194 53.050 0.204 0.000 0.944 461 N CB 0.153 38.731 38.487 0.152 0.000 1.113 461 N HN 0.765 nan 8.380 nan 0.000 0.502 462 E N 1.412 121.681 120.200 0.115 0.000 3.496 462 E HA -0.263 4.090 4.350 0.005 0.000 0.300 462 E C 0.586 177.089 176.600 -0.162 0.000 0.877 462 E CA 0.636 57.043 56.400 0.011 0.000 1.050 462 E CB -1.410 28.415 29.700 0.208 0.000 1.532 462 E HN 0.673 nan 8.360 nan 0.000 0.447 463 I N -0.114 120.405 120.570 -0.084 0.000 2.353 463 I HA -0.208 3.965 4.170 0.005 0.000 0.248 463 I C 2.387 178.355 176.117 -0.249 0.000 1.119 463 I CA 0.927 62.175 61.300 -0.087 0.000 1.417 463 I CB -0.178 37.869 38.000 0.079 0.000 1.078 463 I HN 0.137 nan 8.210 nan 0.000 0.421 464 L N 1.090 122.142 121.223 -0.286 0.000 2.056 464 L HA -0.178 4.165 4.340 0.005 0.000 0.207 464 L C 2.434 179.034 176.870 -0.450 0.000 1.078 464 L CA 1.809 56.361 54.840 -0.479 0.000 0.749 464 L CB -0.601 41.253 42.059 -0.343 0.000 0.901 464 L HN 0.224 nan 8.230 nan 0.000 0.433 465 E N -0.351 119.633 120.200 -0.360 0.000 2.049 465 E HA -0.309 4.043 4.350 0.005 0.000 0.198 465 E C 2.119 178.236 176.600 -0.806 0.000 1.007 465 E CA 1.638 57.826 56.400 -0.352 0.000 0.809 465 E CB -0.284 29.334 29.700 -0.138 0.000 0.749 465 E HN 0.603 nan 8.360 nan 0.000 0.450 466 A N 0.744 122.792 122.820 -1.287 0.000 1.892 466 A HA -0.206 4.116 4.320 0.005 0.000 0.218 466 A C 2.255 179.214 177.584 -1.042 0.000 1.188 466 A CA 1.673 52.689 52.037 -1.701 0.000 0.631 466 A CB -0.809 17.482 19.000 -1.183 0.000 0.822 466 A HN 0.368 nan 8.150 nan 0.000 0.447 467 L N -1.303 119.577 121.223 -0.573 0.000 2.156 467 L HA -0.138 4.205 4.340 0.005 0.000 0.208 467 L C 2.546 179.223 176.870 -0.322 0.000 1.095 467 L CA 1.447 56.120 54.840 -0.279 0.000 0.770 467 L CB -0.251 41.686 42.059 -0.203 0.000 0.914 467 L HN 0.351 nan 8.230 nan 0.000 0.439 468 K N -1.182 118.878 120.400 -0.567 0.000 2.116 468 K HA -0.086 4.237 4.320 0.005 0.000 0.203 468 K C 1.058 177.255 176.600 -0.672 0.000 1.052 468 K CA 1.251 57.085 56.287 -0.754 0.000 0.952 468 K CB 0.165 31.884 32.500 -1.301 0.000 0.729 468 K HN 0.202 nan 8.250 nan 0.000 0.446 469 Y N -3.128 117.027 120.300 -0.242 0.000 2.476 469 Y HA 0.118 4.671 4.550 0.005 0.000 0.261 469 Y C 0.430 176.371 175.900 0.068 0.000 1.077 469 Y CA -0.843 57.207 58.100 -0.083 0.000 1.240 469 Y CB 0.378 38.832 38.460 -0.009 0.000 1.317 469 Y HN 0.061 nan 8.280 nan 0.000 0.540 470 W N 0.845 121.977 121.300 -0.279 0.000 3.325 470 W HA 0.563 5.226 4.660 0.005 0.000 0.370 470 W C 1.265 177.643 176.519 -0.235 0.000 1.169 470 W CA -0.149 57.030 57.345 -0.276 0.000 1.874 470 W CB -0.459 28.811 29.460 -0.316 0.000 1.076 470 W HN 0.222 nan 8.180 nan 0.000 0.684 471 G N -0.081 108.719 108.800 0.001 0.000 2.137 471 G HA2 -0.352 3.611 3.960 0.005 0.000 0.237 471 G HA3 -0.352 3.611 3.960 0.005 0.000 0.237 471 G C 0.703 175.738 174.900 0.226 0.000 1.002 471 G CA 0.128 45.276 45.100 0.080 0.000 0.702 471 G HN 0.100 nan 8.290 nan 0.000 0.515 472 F N 0.577 120.629 119.950 0.169 0.000 2.216 472 F HA 0.055 4.585 4.527 0.005 0.000 0.300 472 F C 2.284 178.154 175.800 0.117 0.000 1.085 472 F CA 1.203 59.373 58.000 0.283 0.000 1.326 472 F CB -0.603 38.696 39.000 0.497 0.000 1.027 472 F HN 0.478 nan 8.300 nan 0.000 0.497 473 E N 0.486 120.661 120.200 -0.041 0.000 2.401 473 E HA -0.143 4.210 4.350 0.005 0.000 0.199 473 E C 2.111 178.630 176.600 -0.135 0.000 1.023 473 E CA 1.232 57.407 56.400 -0.375 0.000 0.859 473 E CB 0.030 29.370 29.700 -0.601 0.000 0.780 473 E HN 0.431 nan 8.360 nan 0.000 0.523 474 K N -0.219 120.157 120.400 -0.041 0.000 2.354 474 K HA 0.075 4.398 4.320 0.005 0.000 0.194 474 K C 1.675 178.229 176.600 -0.076 0.000 1.038 474 K CA 0.234 56.494 56.287 -0.045 0.000 1.052 474 K CB 0.344 32.828 32.500 -0.027 0.000 0.861 474 K HN -0.080 nan 8.250 nan 0.000 0.535 475 K N -0.622 119.707 120.400 -0.118 0.000 2.354 475 K HA 0.422 4.745 4.320 0.005 0.000 0.194 475 K C -0.535 175.635 176.600 -0.716 0.000 1.038 475 K CA -0.058 55.987 56.287 -0.403 0.000 1.052 475 K CB 0.049 32.242 32.500 -0.511 0.000 0.861 475 K HN 0.472 nan 8.250 nan 0.000 0.535 476 F N 0.637 120.565 119.950 -0.038 0.000 2.588 476 F HA 0.370 4.900 4.527 0.005 0.000 0.314 476 F C 0.824 176.579 175.800 -0.075 0.000 1.069 476 F CA -1.555 56.386 58.000 -0.099 0.000 0.931 476 F CB 1.270 40.172 39.000 -0.163 0.000 1.260 476 F HN -0.078 nan 8.300 nan 0.000 0.465 477 T N -0.870 113.750 114.554 0.109 0.000 2.855 477 T HA 0.092 4.445 4.350 0.005 0.000 0.322 477 T C -2.054 172.694 174.700 0.079 0.000 1.088 477 T CA -0.933 61.201 62.100 0.056 0.000 1.104 477 T CB 0.757 69.641 68.868 0.027 0.000 0.996 477 T HN 0.336 nan 8.240 nan 0.000 0.549 478 P HA 0.014 nan 4.420 nan 0.000 0.220 478 P C 1.215 178.574 177.300 0.098 0.000 1.148 478 P CA 0.805 63.959 63.100 0.091 0.000 0.803 478 P CB 0.082 31.815 31.700 0.055 0.000 0.782 479 E N -0.867 119.362 120.200 0.049 0.000 2.046 479 E HA -0.096 4.257 4.350 0.005 0.000 0.190 479 E C 1.994 178.585 176.600 -0.016 0.000 0.982 479 E CA 0.900 57.316 56.400 0.027 0.000 0.800 479 E CB -1.043 28.666 29.700 0.015 0.000 0.756 479 E HN -0.014 nan 8.360 nan 0.000 0.449 480 V N 0.350 120.215 119.914 -0.081 0.000 2.358 480 V HA -0.243 3.880 4.120 0.005 0.000 0.246 480 V C 1.902 177.823 176.094 -0.289 0.000 1.047 480 V CA 1.641 63.769 62.300 -0.288 0.000 1.035 480 V CB -0.501 31.002 31.823 -0.533 0.000 0.658 480 V HN 0.312 nan 8.190 nan 0.000 0.452 481 Y N 1.043 121.215 120.300 -0.213 0.000 2.114 481 Y HA -0.308 4.245 4.550 0.005 0.000 0.282 481 Y C 2.715 178.554 175.900 -0.101 0.000 1.165 481 Y CA 2.056 60.074 58.100 -0.137 0.000 1.148 481 Y CB -0.212 38.243 38.460 -0.008 0.000 0.972 481 Y HN 0.222 nan 8.280 nan 0.000 0.504 482 Q N -0.554 119.215 119.800 -0.051 0.000 2.119 482 Q HA -0.086 4.257 4.340 0.005 0.000 0.201 482 Q C 2.564 178.560 176.000 -0.006 0.000 0.972 482 Q CA 1.332 57.099 55.803 -0.060 0.000 0.847 482 Q CB -1.027 27.778 28.738 0.112 0.000 0.903 482 Q HN 0.639 nan 8.270 nan 0.000 0.433 483 G N 0.614 109.405 108.800 -0.014 0.000 2.408 483 G HA2 -0.166 3.797 3.960 0.005 0.000 0.217 483 G HA3 -0.166 3.797 3.960 0.005 0.000 0.217 483 G C 1.576 176.458 174.900 -0.031 0.000 1.150 483 G CA 0.329 45.445 45.100 0.027 0.000 0.776 483 G HN 0.252 nan 8.290 nan 0.000 0.542 484 L N 0.071 121.186 121.223 -0.180 0.000 2.017 484 L HA -0.099 4.244 4.340 0.005 0.000 0.208 484 L C 3.106 179.896 176.870 -0.133 0.000 1.073 484 L CA 0.906 55.647 54.840 -0.165 0.000 0.745 484 L CB -0.375 41.500 42.059 -0.307 0.000 0.894 484 L HN 0.157 nan 8.230 nan 0.000 0.432 485 M N -1.078 118.325 119.600 -0.327 0.000 2.132 485 M HA -0.155 4.328 4.480 0.005 0.000 0.263 485 M C 2.364 178.542 176.300 -0.204 0.000 1.065 485 M CA 1.673 56.771 55.300 -0.336 0.000 1.122 485 M CB -1.351 30.915 32.600 -0.558 0.000 1.365 485 M HN 0.312 nan 8.290 nan 0.000 0.411 486 H N -0.587 118.454 119.070 -0.049 0.000 2.423 486 H HA 0.027 4.586 4.556 0.005 0.000 0.297 486 H C 2.207 177.545 175.328 0.016 0.000 1.075 486 H CA 1.525 57.566 56.048 -0.011 0.000 1.342 486 H CB -0.538 29.209 29.762 -0.024 0.000 1.395 486 H HN 0.428 nan 8.280 nan 0.000 0.530 487 G N 0.101 108.978 108.800 0.128 0.000 2.408 487 G HA2 -0.299 3.664 3.960 0.005 0.000 0.217 487 G HA3 -0.299 3.664 3.960 0.005 0.000 0.217 487 G C 1.663 176.622 174.900 0.098 0.000 1.150 487 G CA 0.470 45.631 45.100 0.101 0.000 0.776 487 G HN 0.398 nan 8.290 nan 0.000 0.542 488 Y N 1.906 122.245 120.300 0.065 0.000 2.081 488 Y HA -0.192 4.360 4.550 0.005 0.000 0.280 488 Y C 2.457 178.428 175.900 0.119 0.000 1.163 488 Y CA 2.260 60.466 58.100 0.176 0.000 1.135 488 Y CB -0.038 38.480 38.460 0.096 0.000 0.970 488 Y HN 0.195 nan 8.280 nan 0.000 0.498 489 D N -0.163 120.316 120.400 0.132 0.000 2.144 489 D HA -0.143 4.500 4.640 0.005 0.000 0.200 489 D C 2.041 178.278 176.300 -0.105 0.000 0.978 489 D CA 1.347 55.364 54.000 0.028 0.000 0.833 489 D CB -0.259 40.578 40.800 0.063 0.000 0.961 489 D HN 0.369 nan 8.370 nan 0.000 0.470 490 K N -0.118 120.225 120.400 -0.095 0.000 2.089 490 K HA -0.178 4.145 4.320 0.005 0.000 0.210 490 K C 1.918 178.349 176.600 -0.282 0.000 1.048 490 K CA 0.880 57.082 56.287 -0.141 0.000 0.926 490 K CB -0.091 32.356 32.500 -0.087 0.000 0.714 490 K HN 0.077 nan 8.250 nan 0.000 0.448 491 L N -0.780 120.167 121.223 -0.460 0.000 2.189 491 L HA 0.081 4.424 4.340 0.005 0.000 0.199 491 L C 1.637 177.980 176.870 -0.879 0.000 1.074 491 L CA 1.504 55.861 54.840 -0.804 0.000 0.783 491 L CB -0.210 41.117 42.059 -1.220 0.000 0.955 491 L HN -0.008 nan 8.230 nan 0.000 0.460 492 F N -0.239 119.400 119.950 -0.520 0.000 2.619 492 F HA 0.202 4.732 4.527 0.005 0.000 0.293 492 F C 2.002 177.692 175.800 -0.183 0.000 1.119 492 F CA 0.458 58.205 58.000 -0.422 0.000 1.445 492 F CB -0.195 38.357 39.000 -0.747 0.000 1.119 492 F HN -0.012 nan 8.300 nan 0.000 0.573 493 R N -0.393 120.055 120.500 -0.087 0.000 2.437 493 R HA 0.204 4.547 4.340 0.005 0.000 0.257 493 R C 0.629 176.866 176.300 -0.104 0.000 0.927 493 R CA 0.283 56.363 56.100 -0.034 0.000 1.078 493 R CB 0.309 30.587 30.300 -0.036 0.000 1.161 493 R HN 0.320 nan 8.270 nan 0.000 0.529 494 E N -0.085 120.006 120.200 -0.182 0.000 3.596 494 E HA 0.021 4.374 4.350 0.005 0.000 0.188 494 E C 1.185 177.629 176.600 -0.260 0.000 1.232 494 E CA -0.281 56.005 56.400 -0.190 0.000 1.460 494 E CB -0.172 29.438 29.700 -0.150 0.000 1.513 494 E HN -0.058 nan 8.360 nan 0.000 0.530 495 L N 2.131 123.173 121.223 -0.301 0.000 1.970 495 L HA -0.114 4.229 4.340 0.005 0.000 0.212 495 L C 2.088 178.701 176.870 -0.430 0.000 1.071 495 L CA 1.762 56.403 54.840 -0.331 0.000 0.751 495 L CB -0.486 41.362 42.059 -0.352 0.000 0.889 495 L HN 0.155 nan 8.230 nan 0.000 0.432 496 L N 0.096 120.984 121.223 -0.559 0.000 1.994 496 L HA -0.113 4.230 4.340 0.005 0.000 0.208 496 L C -0.142 176.198 176.870 -0.883 0.000 1.071 496 L CA 1.515 55.900 54.840 -0.758 0.000 0.745 496 L CB -2.258 39.306 42.059 -0.825 0.000 0.892 496 L HN 0.294 nan 8.230 nan 0.000 0.431 497 P HA -0.150 nan 4.420 nan 0.000 0.217 497 P C 1.716 178.735 177.300 -0.469 0.000 1.150 497 P CA 1.943 64.493 63.100 -0.915 0.000 0.832 497 P CB -0.044 31.325 31.700 -0.551 0.000 0.787 498 S N -0.852 114.638 115.700 -0.349 0.000 2.383 498 S HA -0.112 4.361 4.470 0.005 0.000 0.227 498 S C 1.984 176.455 174.600 -0.214 0.000 1.026 498 S CA 1.810 59.867 58.200 -0.239 0.000 0.981 498 S CB -2.005 61.083 63.200 -0.187 0.000 0.818 498 S HN 0.116 nan 8.310 nan 0.000 0.472 499 T N 2.385 116.796 114.554 -0.237 0.000 2.746 499 T HA -0.015 4.338 4.350 0.005 0.000 0.267 499 T C 1.898 176.536 174.700 -0.104 0.000 1.039 499 T CA 1.398 63.428 62.100 -0.117 0.000 1.142 499 T CB -0.633 68.110 68.868 -0.209 0.000 0.866 499 T HN 0.288 nan 8.240 nan 0.000 0.444 500 V N 1.153 120.905 119.914 -0.269 0.000 2.407 500 V HA -0.174 3.949 4.120 0.005 0.000 0.248 500 V C 2.697 178.707 176.094 -0.141 0.000 1.055 500 V CA 1.626 63.782 62.300 -0.241 0.000 1.049 500 V CB -0.601 31.058 31.823 -0.273 0.000 0.662 500 V HN 0.354 nan 8.190 nan 0.000 0.455 501 K N -0.706 119.595 120.400 -0.165 0.000 2.097 501 K HA -0.184 4.139 4.320 0.005 0.000 0.206 501 K C 2.187 178.692 176.600 -0.159 0.000 1.049 501 K CA 1.821 58.028 56.287 -0.133 0.000 0.933 501 K CB -0.246 32.169 32.500 -0.142 0.000 0.717 501 K HN 0.769 nan 8.250 nan 0.000 0.442 502 E N -1.906 118.160 120.200 -0.224 0.000 2.051 502 E HA -0.046 4.306 4.350 0.005 0.000 0.189 502 E C 1.448 177.715 176.600 -0.555 0.000 0.979 502 E CA 1.402 57.544 56.400 -0.430 0.000 0.803 502 E CB 0.004 29.340 29.700 -0.606 0.000 0.761 502 E HN 0.552 nan 8.360 nan 0.000 0.451 503 F N -0.476 119.376 119.950 -0.162 0.000 2.717 503 F HA 0.212 4.742 4.527 0.005 0.000 0.295 503 F C 0.597 176.256 175.800 -0.234 0.000 1.117 503 F CA -0.051 57.824 58.000 -0.208 0.000 1.361 503 F CB 0.934 39.782 39.000 -0.253 0.000 1.112 503 F HN -0.152 nan 8.300 nan 0.000 0.594 504 D N -0.726 119.667 120.400 -0.010 0.000 2.849 504 D HA 0.122 4.765 4.640 0.005 0.000 0.314 504 D C 0.814 177.157 176.300 0.071 0.000 1.210 504 D CA 0.193 54.217 54.000 0.040 0.000 0.756 504 D CB 0.349 41.217 40.800 0.113 0.000 1.222 504 D HN 0.021 nan 8.370 nan 0.000 0.521 505 S N -0.881 114.851 115.700 0.052 0.000 2.522 505 S HA -0.025 4.448 4.470 0.005 0.000 0.227 505 S C 0.961 175.590 174.600 0.047 0.000 0.986 505 S CA 0.304 58.517 58.200 0.023 0.000 0.929 505 S CB 0.431 63.624 63.200 -0.011 0.000 0.769 505 S HN 0.176 nan 8.310 nan 0.000 0.529 506 D N 1.059 121.504 120.400 0.076 0.000 2.363 506 D HA 0.177 4.820 4.640 0.005 0.000 0.214 506 D C 0.204 176.562 176.300 0.098 0.000 1.093 506 D CA 0.042 54.083 54.000 0.068 0.000 0.837 506 D CB 0.356 41.186 40.800 0.050 0.000 0.948 506 D HN 0.389 nan 8.370 nan 0.000 0.507 507 R N 0.555 121.141 120.500 0.144 0.000 2.368 507 R HA 0.249 4.592 4.340 0.005 0.000 0.302 507 R C -0.227 176.220 176.300 0.245 0.000 1.002 507 R CA -0.813 55.410 56.100 0.205 0.000 0.929 507 R CB 1.354 31.827 30.300 0.289 0.000 1.073 507 R HN -0.102 nan 8.270 nan 0.000 0.464 508 F N 3.505 123.482 119.950 0.044 0.000 2.607 508 F HA -0.049 4.482 4.527 0.006 0.000 0.374 508 F C -0.573 175.313 175.800 0.143 0.000 1.104 508 F CA 0.443 58.440 58.000 -0.005 0.000 1.296 508 F CB 0.195 39.070 39.000 -0.209 0.000 1.085 508 F HN 0.399 nan 8.300 nan 0.000 0.584 509 Y N 6.331 126.218 120.300 -0.688 0.000 2.425 509 Y HA 0.604 5.157 4.550 0.005 0.000 0.344 509 Y C -1.769 173.589 175.900 -0.902 0.000 0.969 509 Y CA -1.087 56.721 58.100 -0.486 0.000 1.052 509 Y CB 1.539 39.899 38.460 -0.166 0.000 1.215 509 Y HN 0.515 nan 8.280 nan 0.000 0.451 510 V N 6.779 125.922 119.914 -1.285 0.000 2.656 510 V HA 0.264 4.387 4.120 0.005 0.000 0.307 510 V C 0.205 175.722 176.094 -0.961 0.000 1.051 510 V CA -0.383 61.393 62.300 -0.873 0.000 0.893 510 V CB 1.437 33.074 31.823 -0.310 0.000 0.999 510 V HN 1.061 nan 8.190 nan 0.000 0.426 511 H N 3.510 122.322 119.070 -0.430 0.000 2.456 511 H HA 0.290 4.849 4.556 0.005 0.000 0.296 511 H C 0.772 176.093 175.328 -0.013 0.000 1.079 511 H CA 1.190 57.184 56.048 -0.091 0.000 1.322 511 H CB 0.152 30.027 29.762 0.188 0.000 1.388 511 H HN 0.572 nan 8.280 nan 0.000 0.538 512 S N -1.119 114.335 115.700 -0.411 0.000 2.552 512 S HA 0.445 4.918 4.470 0.005 0.000 0.272 512 S C -1.604 172.962 174.600 -0.057 0.000 1.150 512 S CA -0.514 57.588 58.200 -0.163 0.000 0.849 512 S CB 1.628 64.772 63.200 -0.093 0.000 1.113 512 S HN 0.402 nan 8.310 nan 0.000 0.458 513 S N 3.330 119.086 115.700 0.092 0.000 2.552 513 S HA 0.741 5.214 4.470 0.005 0.000 0.314 513 S C -2.901 171.582 174.600 -0.195 0.000 1.099 513 S CA -1.622 56.669 58.200 0.153 0.000 1.070 513 S CB 1.310 64.846 63.200 0.561 0.000 0.998 513 S HN 0.520 nan 8.310 nan 0.000 0.474 514 P HA 0.178 nan 4.420 nan 0.000 0.279 514 P C 0.152 177.375 177.300 -0.128 0.000 1.239 514 P CA -0.431 62.517 63.100 -0.252 0.000 0.789 514 P CB 0.352 31.901 31.700 -0.251 0.000 0.933 515 Y N 3.045 123.262 120.300 -0.138 0.000 2.314 515 Y HA 0.013 4.566 4.550 0.004 0.000 0.293 515 Y C 1.260 177.149 175.900 -0.019 0.000 1.129 515 Y CA 1.242 59.240 58.100 -0.170 0.000 1.201 515 Y CB -0.454 37.884 38.460 -0.204 0.000 0.999 515 Y HN 0.172 nan 8.280 nan 0.000 0.541 516 L N -0.311 120.789 121.223 -0.205 0.000 2.753 516 L HA 0.556 4.899 4.340 0.005 0.000 0.238 516 L C 0.731 177.600 176.870 -0.001 0.000 1.028 516 L CA 0.723 55.551 54.840 -0.020 0.000 0.966 516 L CB -0.675 41.404 42.059 0.034 0.000 1.681 516 L HN 0.203 nan 8.230 nan 0.000 0.511 517 A N 2.356 125.125 122.820 -0.085 0.000 2.520 517 A HA 0.186 4.509 4.320 0.005 0.000 0.245 517 A C 0.073 177.755 177.584 0.163 0.000 1.072 517 A CA 0.198 52.289 52.037 0.089 0.000 0.761 517 A CB -0.306 18.759 19.000 0.107 0.000 1.004 517 A HN 0.556 nan 8.150 nan 0.000 0.499 518 N N 2.928 121.752 118.700 0.207 0.000 2.284 518 N HA 0.164 4.907 4.740 0.005 0.000 0.300 518 N C 0.943 176.660 175.510 0.345 0.000 1.047 518 N CA -0.697 52.443 53.050 0.151 0.000 0.821 518 N CB 0.948 39.311 38.487 -0.208 0.000 1.337 518 N HN 0.862 nan 8.380 nan 0.000 0.482 519 W N 3.154 124.646 121.300 0.320 0.000 2.421 519 W HA 0.098 4.761 4.660 0.004 0.000 0.270 519 W C 0.623 177.448 176.519 0.510 0.000 1.233 519 W CA 0.851 58.441 57.345 0.409 0.000 1.226 519 W CB -0.599 29.029 29.460 0.280 0.000 1.121 519 W HN 0.563 nan 8.180 nan 0.000 0.579 520 G N 1.177 109.815 108.800 -0.270 0.000 2.985 520 G HA2 0.071 4.034 3.960 0.005 0.000 0.209 520 G HA3 0.071 4.034 3.960 0.005 0.000 0.209 520 G C 0.664 175.455 174.900 -0.181 0.000 1.165 520 G CA -0.559 44.323 45.100 -0.365 0.000 0.776 520 G HN 0.127 nan 8.290 nan 0.000 0.541 521 R N 0.221 120.634 120.500 -0.144 0.000 2.443 521 R HA 0.241 4.584 4.340 0.005 0.000 0.287 521 R C -2.039 173.840 176.300 -0.702 0.000 1.425 521 R CA -1.566 54.341 56.100 -0.322 0.000 1.300 521 R CB 1.930 32.069 30.300 -0.267 0.000 1.129 521 R HN -0.031 nan 8.270 nan 0.000 0.577 522 P HA -0.279 nan 4.420 nan 0.000 0.216 522 P C 1.115 177.835 177.300 -0.966 0.000 1.150 522 P CA 1.232 63.196 63.100 -1.894 0.000 0.843 522 P CB 0.265 31.284 31.700 -1.134 0.000 0.787 523 E N 0.281 120.180 120.200 -0.503 0.000 2.219 523 E HA -0.194 4.159 4.350 0.005 0.000 0.198 523 E C 1.538 178.053 176.600 -0.142 0.000 0.998 523 E CA 2.049 58.309 56.400 -0.234 0.000 0.818 523 E CB -1.084 28.523 29.700 -0.155 0.000 0.741 523 E HN 0.371 nan 8.360 nan 0.000 0.477 524 S N -0.872 114.717 115.700 -0.185 0.000 2.558 524 S HA 0.009 4.482 4.470 0.005 0.000 0.217 524 S C 1.337 176.038 174.600 0.169 0.000 0.975 524 S CA -0.320 57.882 58.200 0.004 0.000 0.912 524 S CB -0.513 62.710 63.200 0.037 0.000 0.776 524 S HN 0.284 nan 8.310 nan 0.000 0.526 525 W N 2.395 123.737 121.300 0.069 0.000 2.465 525 W HA 0.331 4.994 4.660 0.004 0.000 0.268 525 W C 2.099 178.688 176.519 0.115 0.000 1.242 525 W CA 0.159 57.562 57.345 0.097 0.000 1.248 525 W CB -1.288 28.252 29.460 0.134 0.000 1.118 525 W HN 0.521 nan 8.180 nan 0.000 0.587 526 G N -0.492 108.502 108.800 0.323 0.000 3.088 526 G HA2 0.058 4.020 3.960 0.005 0.000 0.212 526 G HA3 0.058 4.020 3.960 0.005 0.000 0.212 526 G C -0.072 174.893 174.900 0.109 0.000 1.173 526 G CA 0.163 45.391 45.100 0.214 0.000 0.779 526 G HN 0.020 nan 8.290 nan 0.000 0.540 527 T N 0.858 115.471 114.554 0.099 0.000 2.977 527 T HA 0.586 4.939 4.350 0.005 0.000 0.346 527 T C 0.770 175.391 174.700 -0.131 0.000 1.140 527 T CA 0.158 62.290 62.100 0.054 0.000 1.040 527 T CB 1.255 70.167 68.868 0.074 0.000 1.046 527 T HN 0.859 nan 8.240 nan 0.000 0.494 528 G N 4.013 112.787 108.800 -0.043 0.000 2.562 528 G HA2 -0.191 3.772 3.960 0.005 0.000 0.250 528 G HA3 -0.191 3.772 3.960 0.005 0.000 0.250 528 G C -0.590 174.163 174.900 -0.246 0.000 1.269 528 G CA -0.168 44.808 45.100 -0.207 0.000 0.919 528 G HN 0.885 nan 8.290 nan 0.000 0.574 529 D N 0.056 120.139 120.400 -0.527 0.000 2.304 529 D HA 0.561 5.204 4.640 0.005 0.000 0.247 529 D C -0.081 176.170 176.300 -0.082 0.000 1.089 529 D CA 0.216 54.052 54.000 -0.273 0.000 0.910 529 D CB 1.489 42.023 40.800 -0.444 0.000 1.199 529 D HN 0.453 nan 8.370 nan 0.000 0.426 530 S N -0.051 115.694 115.700 0.076 0.000 2.503 530 S HA 0.261 4.734 4.470 0.005 0.000 0.301 530 S C -0.646 174.139 174.600 0.310 0.000 1.087 530 S CA -0.705 57.567 58.200 0.120 0.000 1.042 530 S CB 0.975 64.172 63.200 -0.004 0.000 1.043 530 S HN 0.394 nan 8.310 nan 0.000 0.489 531 H N 2.604 121.765 119.070 0.152 0.000 2.724 531 H HA 0.219 4.777 4.556 0.005 0.000 0.278 531 H C -0.343 175.064 175.328 0.132 0.000 1.159 531 H CA -0.604 55.566 56.048 0.203 0.000 1.254 531 H CB 0.438 30.475 29.762 0.459 0.000 1.412 531 H HN 0.318 nan 8.280 nan 0.000 0.488 532 N N 3.451 122.114 118.700 -0.061 0.000 2.521 532 N HA -0.025 4.718 4.740 0.005 0.000 0.236 532 N C -0.547 174.749 175.510 -0.357 0.000 1.067 532 N CA -0.477 52.511 53.050 -0.104 0.000 0.939 532 N CB 0.115 38.477 38.487 -0.208 0.000 1.201 532 N HN 0.553 nan 8.380 nan 0.000 0.511 533 W N 2.052 123.184 121.300 -0.280 0.000 3.269 533 W HA 0.385 5.048 4.660 0.005 0.000 0.413 533 W C 1.768 177.681 176.519 -1.010 0.000 1.057 533 W CA -0.710 56.342 57.345 -0.488 0.000 1.953 533 W CB 0.397 29.700 29.460 -0.262 0.000 1.053 533 W HN 0.619 nan 8.180 nan 0.000 0.753 534 G N 0.389 108.830 108.800 -0.598 0.000 2.433 534 G HA2 -0.186 3.777 3.960 0.005 0.000 0.216 534 G HA3 -0.186 3.777 3.960 0.005 0.000 0.216 534 G C 0.632 175.484 174.900 -0.081 0.000 1.186 534 G CA 0.491 45.394 45.100 -0.327 0.000 0.779 534 G HN -0.040 nan 8.290 nan 0.000 0.543 535 V N 0.933 120.864 119.914 0.029 0.000 2.637 535 V HA 0.215 4.338 4.120 0.005 0.000 0.296 535 V C 0.881 177.169 176.094 0.323 0.000 1.046 535 V CA 0.081 62.480 62.300 0.165 0.000 1.066 535 V CB 0.415 32.336 31.823 0.163 0.000 0.968 535 V HN 0.620 nan 8.190 nan 0.000 0.483 536 W N 3.272 124.652 121.300 0.134 0.000 1.846 536 W HA -0.400 4.263 4.660 0.005 0.000 0.278 536 W C 1.439 177.963 176.519 0.008 0.000 1.881 536 W CA 1.766 59.136 57.345 0.041 0.000 2.163 536 W CB -1.448 28.116 29.460 0.173 0.000 0.958 536 W HN 0.587 nan 8.180 nan 0.000 0.442 537 Y N 1.194 121.578 120.300 0.140 0.000 2.165 537 Y HA -0.022 4.531 4.550 0.005 0.000 0.286 537 Y C 2.650 178.502 175.900 -0.080 0.000 1.155 537 Y CA 2.580 60.642 58.100 -0.063 0.000 1.164 537 Y CB -1.381 37.090 38.460 0.019 0.000 0.978 537 Y HN 0.296 nan 8.280 nan 0.000 0.513 538 G N -0.822 107.921 108.800 -0.094 0.000 2.920 538 G HA2 -0.056 3.907 3.960 0.005 0.000 0.208 538 G HA3 -0.056 3.907 3.960 0.005 0.000 0.208 538 G C 0.761 175.731 174.900 0.117 0.000 1.159 538 G CA 0.285 45.428 45.100 0.072 0.000 0.784 538 G HN 0.362 nan 8.290 nan 0.000 0.535 539 K N -1.161 119.292 120.400 0.088 0.000 3.349 539 K HA -0.186 4.137 4.320 0.005 0.000 0.310 539 K C 0.301 176.875 176.600 -0.042 0.000 1.267 539 K CA 0.832 57.153 56.287 0.057 0.000 0.920 539 K CB -0.946 31.539 32.500 -0.026 0.000 1.240 539 K HN 0.397 nan 8.250 nan 0.000 0.453 540 K N 1.170 121.604 120.400 0.057 0.000 2.382 540 K HA 0.115 4.438 4.320 0.005 0.000 0.275 540 K C -2.370 174.182 176.600 -0.080 0.000 1.009 540 K CA -1.550 54.743 56.287 0.011 0.000 0.970 540 K CB 0.374 32.925 32.500 0.086 0.000 0.934 540 K HN -0.146 nan 8.250 nan 0.000 0.479 541 P HA -0.066 nan 4.420 nan 0.000 0.268 541 P C 0.099 177.363 177.300 -0.061 0.000 1.208 541 P CA 0.083 63.086 63.100 -0.162 0.000 0.777 541 P CB 0.280 31.937 31.700 -0.072 0.000 0.875 542 F N 0.519 120.532 119.950 0.104 0.000 2.236 542 F HA -0.190 4.340 4.527 0.005 0.000 0.302 542 F C 1.985 177.838 175.800 0.089 0.000 1.073 542 F CA 1.608 59.655 58.000 0.079 0.000 1.336 542 F CB -1.053 37.931 39.000 -0.025 0.000 1.040 542 F HN 0.376 nan 8.300 nan 0.000 0.507 543 E N -0.230 120.077 120.200 0.179 0.000 2.268 543 E HA -0.145 4.208 4.350 0.005 0.000 0.195 543 E C 2.292 178.985 176.600 0.155 0.000 0.995 543 E CA 1.085 57.582 56.400 0.162 0.000 0.836 543 E CB -0.440 29.303 29.700 0.072 0.000 0.763 543 E HN 0.376 nan 8.360 nan 0.000 0.491 544 S N 0.124 115.896 115.700 0.121 0.000 2.442 544 S HA -0.119 4.354 4.470 0.005 0.000 0.236 544 S C 1.807 176.455 174.600 0.080 0.000 1.007 544 S CA 0.636 58.897 58.200 0.101 0.000 0.965 544 S CB -0.311 62.944 63.200 0.092 0.000 0.773 544 S HN 0.246 nan 8.310 nan 0.000 0.504 545 L N 1.091 122.375 121.223 0.100 0.000 2.376 545 L HA 0.008 4.351 4.340 0.005 0.000 0.219 545 L C 1.923 178.780 176.870 -0.021 0.000 1.133 545 L CA 0.892 55.746 54.840 0.023 0.000 0.816 545 L CB -0.420 41.648 42.059 0.014 0.000 0.933 545 L HN 0.260 nan 8.230 nan 0.000 0.449 546 D N -0.816 119.599 120.400 0.024 0.000 2.234 546 D HA -0.099 4.544 4.640 0.005 0.000 0.205 546 D C 2.165 178.471 176.300 0.010 0.000 0.962 546 D CA 1.833 55.825 54.000 -0.013 0.000 0.855 546 D CB 0.174 41.001 40.800 0.046 0.000 0.951 546 D HN 0.393 nan 8.370 nan 0.000 0.500 547 T N -2.234 112.349 114.554 0.048 0.000 3.023 547 T HA 0.016 4.369 4.350 0.005 0.000 0.249 547 T C 0.448 175.209 174.700 0.103 0.000 1.050 547 T CA -0.083 62.059 62.100 0.071 0.000 1.088 547 T CB 0.255 69.183 68.868 0.101 0.000 0.946 547 T HN -0.251 nan 8.240 nan 0.000 0.480 548 D N 2.238 122.669 120.400 0.052 0.000 2.518 548 D HA 0.441 5.084 4.640 0.005 0.000 0.230 548 D C -0.657 175.528 176.300 -0.191 0.000 1.138 548 D CA -0.200 53.764 54.000 -0.059 0.000 0.964 548 D CB 0.523 41.147 40.800 -0.294 0.000 1.011 548 D HN 0.437 nan 8.370 nan 0.000 0.517 549 L N 2.972 124.199 121.223 0.007 0.000 2.307 549 L HA 0.496 4.839 4.340 0.005 0.000 0.282 549 L C -2.004 174.966 176.870 0.167 0.000 1.051 549 L CA -1.544 53.334 54.840 0.062 0.000 0.804 549 L CB 1.479 43.578 42.059 0.067 0.000 1.197 549 L HN 0.053 nan 8.230 nan 0.000 0.431 550 P HA 0.405 nan 4.420 nan 0.000 0.288 550 P C -0.371 177.019 177.300 0.150 0.000 1.297 550 P CA -0.762 62.390 63.100 0.087 0.000 0.864 550 P CB 1.644 33.275 31.700 -0.114 0.000 1.237 551 R N -0.340 120.201 120.500 0.069 0.000 2.153 551 R HA 0.205 4.548 4.340 0.005 0.000 0.218 551 R C 0.234 176.656 176.300 0.203 0.000 1.072 551 R CA 0.827 56.940 56.100 0.021 0.000 0.990 551 R CB -0.795 29.522 30.300 0.029 0.000 0.889 551 R HN 0.572 nan 8.270 nan 0.000 0.452 552 F N -0.094 119.869 119.950 0.021 0.000 2.749 552 F HA 0.258 4.787 4.527 0.004 0.000 0.339 552 F C -1.165 174.603 175.800 -0.053 0.000 1.211 552 F CA -1.153 56.873 58.000 0.043 0.000 1.099 552 F CB 1.216 40.392 39.000 0.293 0.000 1.359 552 F HN -0.251 nan 8.300 nan 0.000 0.549 553 M N 5.232 124.670 119.600 -0.270 0.000 2.201 553 M HA 0.221 4.704 4.480 0.005 0.000 0.345 553 M C 0.589 176.908 176.300 0.032 0.000 1.352 553 M CA 0.292 55.462 55.300 -0.216 0.000 1.218 553 M CB 0.523 32.758 32.600 -0.608 0.000 1.512 553 M HN 0.533 nan 8.290 nan 0.000 0.447 554 S N 2.416 118.269 115.700 0.255 0.000 2.528 554 S HA 0.262 4.735 4.470 0.005 0.000 0.219 554 S C 0.057 174.639 174.600 -0.029 0.000 0.985 554 S CA -0.058 58.265 58.200 0.204 0.000 0.914 554 S CB -0.099 63.225 63.200 0.207 0.000 0.776 554 S HN 0.731 nan 8.310 nan 0.000 0.526 555 E N 0.056 120.234 120.200 -0.037 0.000 2.335 555 E HA 0.596 4.948 4.350 0.005 0.000 0.280 555 E C -1.547 175.023 176.600 -0.050 0.000 0.918 555 E CA -0.826 55.547 56.400 -0.044 0.000 0.765 555 E CB 2.362 31.951 29.700 -0.186 0.000 1.218 555 E HN 0.452 nan 8.360 nan 0.000 0.425 556 F N -0.762 118.957 119.950 -0.385 0.000 2.719 556 F HA 0.845 5.375 4.527 0.005 0.000 0.309 556 F C -0.658 174.858 175.800 -0.473 0.000 1.138 556 F CA -0.656 56.903 58.000 -0.735 0.000 0.943 556 F CB 1.729 40.514 39.000 -0.358 0.000 1.304 556 F HN 0.585 nan 8.300 nan 0.000 0.445 557 G N 0.872 109.230 108.800 -0.736 0.000 2.523 557 G HA2 0.577 4.540 3.960 0.005 0.000 0.291 557 G HA3 0.577 4.540 3.960 0.005 0.000 0.291 557 G C -2.815 172.259 174.900 0.290 0.000 1.450 557 G CA -0.865 44.134 45.100 -0.169 0.000 0.790 557 G HN 1.086 nan 8.290 nan 0.000 0.496 558 F N 0.100 120.149 119.950 0.165 0.000 2.635 558 F HA 0.524 5.054 4.527 0.005 0.000 0.314 558 F C -0.155 175.423 175.800 -0.370 0.000 1.119 558 F CA -0.664 57.328 58.000 -0.014 0.000 1.000 558 F CB 2.009 41.071 39.000 0.103 0.000 1.278 558 F HN 0.551 nan 8.300 nan 0.000 0.446 559 Q N 2.478 121.367 119.800 -1.518 0.000 2.368 559 Q HA 0.586 4.929 4.340 0.005 0.000 0.237 559 Q C -0.818 174.834 176.000 -0.581 0.000 0.987 559 Q CA -0.153 54.875 55.803 -1.291 0.000 0.896 559 Q CB 1.536 29.272 28.738 -1.670 0.000 1.241 559 Q HN 0.707 nan 8.270 nan 0.000 0.485 560 S N 0.269 115.708 115.700 -0.434 0.000 2.541 560 S HA 0.489 4.962 4.470 0.005 0.000 0.271 560 S C -0.776 173.711 174.600 -0.188 0.000 1.133 560 S CA -0.900 57.172 58.200 -0.213 0.000 0.876 560 S CB 0.529 63.615 63.200 -0.189 0.000 1.105 560 S HN 0.419 nan 8.310 nan 0.000 0.470 561 F N 3.142 122.980 119.950 -0.185 0.000 2.607 561 F HA 0.275 4.805 4.527 0.005 0.000 0.374 561 F C -1.373 174.351 175.800 -0.127 0.000 1.104 561 F CA -0.666 57.272 58.000 -0.103 0.000 1.296 561 F CB 0.499 39.472 39.000 -0.046 0.000 1.085 561 F HN 0.422 nan 8.300 nan 0.000 0.584 562 P HA 0.067 nan 4.420 nan 0.000 0.274 562 P C -0.869 176.472 177.300 0.069 0.000 1.256 562 P CA -0.592 62.532 63.100 0.041 0.000 0.795 562 P CB 0.584 32.327 31.700 0.072 0.000 1.038 563 E N 0.627 120.870 120.200 0.072 0.000 2.428 563 E HA -0.014 4.339 4.350 0.005 0.000 0.257 563 E C 1.078 177.717 176.600 0.066 0.000 1.197 563 E CA -0.544 55.921 56.400 0.107 0.000 0.974 563 E CB 0.034 29.884 29.700 0.251 0.000 0.976 563 E HN 0.156 nan 8.360 nan 0.000 0.463 564 M N 1.116 120.747 119.600 0.051 0.000 2.108 564 M HA -0.188 4.295 4.480 0.005 0.000 0.261 564 M C 2.067 178.317 176.300 -0.083 0.000 1.066 564 M CA 2.157 57.419 55.300 -0.064 0.000 1.107 564 M CB -1.279 31.290 32.600 -0.052 0.000 1.356 564 M HN 0.704 nan 8.290 nan 0.000 0.406 565 K N -1.501 118.893 120.400 -0.011 0.000 2.283 565 K HA -0.053 4.270 4.320 0.005 0.000 0.202 565 K C 1.582 178.138 176.600 -0.073 0.000 1.048 565 K CA 1.545 57.809 56.287 -0.038 0.000 0.948 565 K CB -0.574 31.914 32.500 -0.021 0.000 0.742 565 K HN 0.187 nan 8.250 nan 0.000 0.458 566 T N 1.994 116.547 114.554 -0.002 0.000 2.851 566 T HA 0.075 4.428 4.350 0.005 0.000 0.262 566 T C 1.932 176.605 174.700 -0.046 0.000 1.043 566 T CA 0.893 63.053 62.100 0.100 0.000 1.140 566 T CB -0.151 68.885 68.868 0.279 0.000 0.872 566 T HN 0.155 nan 8.240 nan 0.000 0.446 567 I N 1.758 122.182 120.570 -0.243 0.000 2.208 567 I HA -0.211 3.962 4.170 0.005 0.000 0.245 567 I C 2.845 178.544 176.117 -0.697 0.000 1.097 567 I CA 1.279 62.129 61.300 -0.750 0.000 1.363 567 I CB -0.472 37.237 38.000 -0.486 0.000 1.051 567 I HN 0.187 nan 8.210 nan 0.000 0.413 568 A N 0.531 123.172 122.820 -0.298 0.000 2.121 568 A HA 0.048 4.371 4.320 0.005 0.000 0.218 568 A C 2.452 180.041 177.584 0.008 0.000 1.154 568 A CA 1.343 53.356 52.037 -0.039 0.000 0.679 568 A CB -0.535 18.511 19.000 0.077 0.000 0.795 568 A HN 0.443 nan 8.150 nan 0.000 0.458 569 A N -0.466 122.340 122.820 -0.023 0.000 2.014 569 A HA 0.159 4.482 4.320 0.005 0.000 0.218 569 A C 1.728 179.521 177.584 0.348 0.000 1.163 569 A CA 1.424 53.570 52.037 0.181 0.000 0.652 569 A CB -0.551 18.591 19.000 0.235 0.000 0.808 569 A HN 1.016 nan 8.150 nan 0.000 0.449 570 F N -2.591 117.393 119.950 0.058 0.000 2.712 570 F HA 0.718 5.248 4.527 0.005 0.000 0.297 570 F C 0.608 176.074 175.800 -0.558 0.000 1.114 570 F CA -0.430 57.450 58.000 -0.201 0.000 1.305 570 F CB -0.115 38.614 39.000 -0.451 0.000 1.086 570 F HN 0.145 nan 8.300 nan 0.000 0.599 571 A N 1.364 123.900 122.820 -0.473 0.000 2.355 571 A HA 0.847 5.170 4.320 0.005 0.000 0.317 571 A C -0.209 177.376 177.584 0.001 0.000 1.094 571 A CA -0.410 51.472 52.037 -0.259 0.000 0.764 571 A CB 0.582 19.451 19.000 -0.218 0.000 1.230 571 A HN 0.524 nan 8.150 nan 0.000 0.448 572 A N 2.869 125.682 122.820 -0.013 0.000 2.304 572 A HA 0.649 4.972 4.320 0.005 0.000 0.271 572 A C -1.708 175.657 177.584 -0.365 0.000 1.091 572 A CA -1.431 50.586 52.037 -0.034 0.000 0.812 572 A CB -0.087 18.935 19.000 0.038 0.000 1.056 572 A HN 0.529 nan 8.150 nan 0.000 0.489 573 P HA -0.137 nan 4.420 nan 0.000 0.219 573 P C 0.729 177.604 177.300 -0.709 0.000 1.146 573 P CA 1.445 63.810 63.100 -1.224 0.000 0.808 573 P CB 0.113 31.399 31.700 -0.690 0.000 0.779 574 E N -0.121 119.865 120.200 -0.356 0.000 2.147 574 E HA -0.204 4.149 4.350 0.005 0.000 0.199 574 E C 1.439 177.933 176.600 -0.176 0.000 1.005 574 E CA 1.470 57.750 56.400 -0.200 0.000 0.810 574 E CB -0.861 28.772 29.700 -0.113 0.000 0.736 574 E HN 0.374 nan 8.360 nan 0.000 0.460 575 D N -0.359 119.937 120.400 -0.173 0.000 2.347 575 D HA -0.081 4.562 4.640 0.005 0.000 0.213 575 D C 0.046 176.293 176.300 -0.089 0.000 0.985 575 D CA 0.362 54.311 54.000 -0.085 0.000 0.879 575 D CB -0.052 40.734 40.800 -0.023 0.000 0.919 575 D HN 0.232 nan 8.370 nan 0.000 0.526 576 Y N 2.375 122.487 120.300 -0.313 0.000 3.040 576 Y HA 0.080 4.633 4.550 0.005 0.000 0.356 576 Y C 0.806 176.078 175.900 -1.046 0.000 1.096 576 Y CA -0.076 57.635 58.100 -0.648 0.000 2.058 576 Y CB -1.295 36.951 38.460 -0.356 0.000 2.215 576 Y HN -0.118 nan 8.280 nan 0.000 0.404 577 Q N -0.259 119.101 119.800 -0.732 0.000 2.413 577 Q HA 0.360 4.703 4.340 0.005 0.000 0.276 577 Q C 1.329 177.068 176.000 -0.434 0.000 1.099 577 Q CA -0.829 54.609 55.803 -0.608 0.000 0.814 577 Q CB 2.104 30.704 28.738 -0.230 0.000 1.379 577 Q HN 0.407 nan 8.270 nan 0.000 0.436 578 I N 0.430 120.927 120.570 -0.122 0.000 2.151 578 I HA -0.282 3.891 4.170 0.005 0.000 0.243 578 I C 1.081 177.295 176.117 0.162 0.000 1.080 578 I CA 1.528 62.914 61.300 0.143 0.000 1.339 578 I CB 0.119 38.114 38.000 -0.008 0.000 1.039 578 I HN 0.492 nan 8.210 nan 0.000 0.409 579 E N 0.818 121.046 120.200 0.047 0.000 2.558 579 E HA 0.112 4.465 4.350 0.005 0.000 0.205 579 E C 0.549 177.169 176.600 0.034 0.000 1.006 579 E CA -0.002 56.432 56.400 0.057 0.000 0.961 579 E CB 0.235 29.955 29.700 0.033 0.000 1.044 579 E HN 0.430 nan 8.360 nan 0.000 0.465 580 S N 0.680 116.387 115.700 0.012 0.000 2.569 580 S HA -0.004 4.468 4.470 0.005 0.000 0.274 580 S C 1.236 175.873 174.600 0.062 0.000 1.353 580 S CA -0.245 57.965 58.200 0.018 0.000 1.023 580 S CB 1.489 64.684 63.200 -0.009 0.000 0.876 580 S HN 0.037 nan 8.310 nan 0.000 0.540 581 E N 0.877 121.110 120.200 0.056 0.000 2.118 581 E HA -0.120 4.233 4.350 0.005 0.000 0.195 581 E C 2.021 178.690 176.600 0.115 0.000 0.992 581 E CA 1.330 57.774 56.400 0.072 0.000 0.804 581 E CB -0.399 29.338 29.700 0.060 0.000 0.741 581 E HN 0.592 nan 8.360 nan 0.000 0.458 582 V N 1.000 120.992 119.914 0.131 0.000 2.323 582 V HA -0.244 3.879 4.120 0.005 0.000 0.244 582 V C 2.369 178.667 176.094 0.340 0.000 1.041 582 V CA 1.519 63.947 62.300 0.213 0.000 1.025 582 V CB -0.384 31.523 31.823 0.140 0.000 0.656 582 V HN 0.216 nan 8.190 nan 0.000 0.451 583 M N 0.651 120.412 119.600 0.268 0.000 2.144 583 M HA -0.208 4.275 4.480 0.005 0.000 0.260 583 M C 1.739 178.182 176.300 0.238 0.000 1.067 583 M CA 1.902 57.395 55.300 0.323 0.000 1.095 583 M CB -1.157 31.600 32.600 0.261 0.000 1.365 583 M HN 0.415 nan 8.290 nan 0.000 0.406 584 N N -0.710 118.091 118.700 0.168 0.000 2.106 584 N HA -0.032 4.711 4.740 0.005 0.000 0.188 584 N C 1.527 177.076 175.510 0.065 0.000 1.029 584 N CA 1.140 54.250 53.050 0.100 0.000 0.848 584 N CB -0.260 38.271 38.487 0.074 0.000 1.007 584 N HN 0.443 nan 8.380 nan 0.000 0.423 585 A N 0.193 123.065 122.820 0.087 0.000 2.204 585 A HA -0.186 4.137 4.320 0.005 0.000 0.220 585 A C 0.598 178.018 177.584 -0.273 0.000 1.165 585 A CA 1.592 53.611 52.037 -0.030 0.000 0.671 585 A CB -0.573 18.439 19.000 0.021 0.000 0.792 585 A HN 0.457 nan 8.150 nan 0.000 0.473 586 H N -2.687 116.319 119.070 -0.107 0.000 2.567 586 H HA 0.394 4.953 4.556 0.005 0.000 0.267 586 H C -0.241 174.902 175.328 -0.308 0.000 1.148 586 H CA 0.109 55.918 56.048 -0.399 0.000 1.031 586 H CB 0.492 29.622 29.762 -1.053 0.000 1.691 586 H HN 0.436 nan 8.280 nan 0.000 0.588 587 Q N 1.184 120.942 119.800 -0.071 0.000 2.337 587 Q HA 0.279 4.621 4.340 0.005 0.000 0.264 587 Q C -0.254 175.737 176.000 -0.015 0.000 1.007 587 Q CA -0.571 55.175 55.803 -0.094 0.000 0.727 587 Q CB 0.793 29.478 28.738 -0.088 0.000 1.256 587 Q HN -0.122 nan 8.270 nan 0.000 0.467 588 K N 1.358 121.778 120.400 0.034 0.000 2.367 588 K HA 0.201 4.524 4.320 0.005 0.000 0.194 588 K C -0.088 176.564 176.600 0.086 0.000 1.027 588 K CA 0.057 56.388 56.287 0.075 0.000 1.075 588 K CB 0.808 33.417 32.500 0.182 0.000 0.845 588 K HN 0.458 nan 8.250 nan 0.000 0.529 589 S N 1.379 117.134 115.700 0.093 0.000 2.430 589 S HA 0.120 4.593 4.470 0.005 0.000 0.289 589 S C 1.040 175.694 174.600 0.090 0.000 1.143 589 S CA -0.428 57.869 58.200 0.162 0.000 1.067 589 S CB 0.760 64.094 63.200 0.223 0.000 0.964 589 S HN 0.279 nan 8.310 nan 0.000 0.485 590 S N 4.434 120.180 115.700 0.077 0.000 2.562 590 S HA 0.014 4.487 4.470 0.005 0.000 0.221 590 S C 1.276 175.898 174.600 0.036 0.000 0.975 590 S CA 0.378 58.600 58.200 0.038 0.000 0.918 590 S CB -0.677 62.532 63.200 0.015 0.000 0.772 590 S HN 0.909 nan 8.310 nan 0.000 0.531 591 I N -2.329 118.269 120.570 0.046 0.000 4.018 591 I HA 0.558 4.730 4.170 0.005 0.000 0.337 591 I C 1.761 177.844 176.117 -0.056 0.000 1.327 591 I CA -0.131 61.159 61.300 -0.017 0.000 1.100 591 I CB -0.249 37.720 38.000 -0.051 0.000 1.025 591 I HN 0.132 nan 8.210 nan 0.000 0.396 592 G N 1.909 110.742 108.800 0.055 0.000 2.414 592 G HA2 -0.205 3.758 3.960 0.005 0.000 0.215 592 G HA3 -0.205 3.758 3.960 0.005 0.000 0.215 592 G C 1.280 176.257 174.900 0.127 0.000 1.188 592 G CA 0.841 46.038 45.100 0.161 0.000 0.783 592 G HN 0.358 nan 8.290 nan 0.000 0.537 593 N N 0.854 119.635 118.700 0.134 0.000 2.142 593 N HA -0.120 4.623 4.740 0.005 0.000 0.186 593 N C 2.560 178.186 175.510 0.195 0.000 1.023 593 N CA 1.480 54.684 53.050 0.257 0.000 0.852 593 N CB -0.521 38.134 38.487 0.280 0.000 0.998 593 N HN 0.374 nan 8.380 nan 0.000 0.424 594 S N 1.116 116.871 115.700 0.091 0.000 2.359 594 S HA -0.066 4.407 4.470 0.005 0.000 0.224 594 S C 2.075 176.696 174.600 0.036 0.000 1.035 594 S CA 0.730 58.962 58.200 0.054 0.000 1.018 594 S CB -0.485 62.724 63.200 0.015 0.000 0.876 594 S HN 0.264 nan 8.310 nan 0.000 0.448 595 L N 0.634 121.802 121.223 -0.092 0.000 2.042 595 L HA -0.095 4.248 4.340 0.005 0.000 0.210 595 L C 2.610 179.560 176.870 0.134 0.000 1.076 595 L CA 1.568 56.323 54.840 -0.141 0.000 0.749 595 L CB -0.582 41.006 42.059 -0.786 0.000 0.893 595 L HN 0.388 nan 8.230 nan 0.000 0.432 596 I N -0.536 120.138 120.570 0.173 0.000 2.163 596 I HA -0.357 3.816 4.170 0.005 0.000 0.243 596 I C 2.851 179.212 176.117 0.407 0.000 1.085 596 I CA 1.420 62.934 61.300 0.358 0.000 1.347 596 I CB -0.336 37.884 38.000 0.366 0.000 1.044 596 I HN 0.255 nan 8.210 nan 0.000 0.408 597 R N 0.463 121.185 120.500 0.369 0.000 2.081 597 R HA -0.163 4.180 4.340 0.005 0.000 0.235 597 R C 2.278 178.725 176.300 0.245 0.000 1.131 597 R CA 2.084 58.386 56.100 0.338 0.000 0.960 597 R CB -0.330 30.113 30.300 0.239 0.000 0.856 597 R HN 0.248 nan 8.270 nan 0.000 0.436 598 T N 0.002 114.679 114.554 0.205 0.000 2.665 598 T HA -0.194 4.159 4.350 0.005 0.000 0.268 598 T C 1.392 176.182 174.700 0.151 0.000 1.035 598 T CA 1.773 63.950 62.100 0.129 0.000 1.151 598 T CB -0.390 68.522 68.868 0.072 0.000 0.862 598 T HN 0.327 nan 8.240 nan 0.000 0.438 599 Y N 0.372 120.761 120.300 0.149 0.000 2.263 599 Y HA 0.126 4.678 4.550 0.005 0.000 0.292 599 Y C 2.507 178.511 175.900 0.173 0.000 1.130 599 Y CA 0.774 58.965 58.100 0.152 0.000 1.179 599 Y CB -0.335 38.289 38.460 0.273 0.000 0.998 599 Y HN 0.120 nan 8.280 nan 0.000 0.532 600 M N -0.044 119.772 119.600 0.360 0.000 2.108 600 M HA -0.253 4.230 4.480 0.005 0.000 0.261 600 M C 2.307 178.746 176.300 0.231 0.000 1.066 600 M CA 1.895 57.362 55.300 0.278 0.000 1.107 600 M CB -0.125 32.574 32.600 0.166 0.000 1.356 600 M HN 0.167 nan 8.290 nan 0.000 0.406 601 E N 0.688 120.983 120.200 0.159 0.000 2.150 601 E HA -0.200 4.153 4.350 0.005 0.000 0.193 601 E C 1.793 178.410 176.600 0.029 0.000 0.985 601 E CA 1.284 57.734 56.400 0.083 0.000 0.814 601 E CB -0.130 29.607 29.700 0.062 0.000 0.752 601 E HN 0.588 nan 8.360 nan 0.000 0.466 602 R N 0.133 120.645 120.500 0.021 0.000 2.152 602 R HA -0.074 4.269 4.340 0.005 0.000 0.232 602 R C 1.443 177.699 176.300 -0.073 0.000 1.117 602 R CA 1.500 57.578 56.100 -0.037 0.000 0.981 602 R CB 0.076 30.335 30.300 -0.069 0.000 0.870 602 R HN 0.162 nan 8.270 nan 0.000 0.451 603 D N -2.358 117.992 120.400 -0.082 0.000 2.480 603 D HA 0.104 4.747 4.640 0.005 0.000 0.243 603 D C -0.588 175.310 176.300 -0.670 0.000 1.120 603 D CA 0.382 54.175 54.000 -0.345 0.000 0.835 603 D CB 0.864 41.434 40.800 -0.383 0.000 1.204 603 D HN 0.006 nan 8.370 nan 0.000 0.513 604 Y N 0.062 120.318 120.300 -0.072 0.000 2.588 604 Y HA 0.424 4.977 4.550 0.005 0.000 0.343 604 Y C -0.080 175.769 175.900 -0.085 0.000 1.065 604 Y CA -0.926 57.121 58.100 -0.089 0.000 1.038 604 Y CB 1.564 39.961 38.460 -0.105 0.000 1.297 604 Y HN -0.320 nan 8.280 nan 0.000 0.467 605 I N 3.307 123.907 120.570 0.050 0.000 2.496 605 I HA 0.109 4.282 4.170 0.005 0.000 0.285 605 I C -0.218 175.939 176.117 0.066 0.000 1.080 605 I CA 0.162 61.435 61.300 -0.045 0.000 1.404 605 I CB 0.324 38.130 38.000 -0.323 0.000 1.403 605 I HN 0.339 nan 8.210 nan 0.000 0.539 606 I N 8.803 129.415 120.570 0.070 0.000 2.436 606 I HA 0.158 4.331 4.170 0.005 0.000 0.289 606 I C -1.936 174.257 176.117 0.125 0.000 1.083 606 I CA -1.515 59.859 61.300 0.123 0.000 1.372 606 I CB 0.129 38.211 38.000 0.137 0.000 1.408 606 I HN 0.278 nan 8.210 nan 0.000 0.516 607 P HA 0.140 nan 4.420 nan 0.000 0.274 607 P C 0.354 177.725 177.300 0.118 0.000 1.231 607 P CA -0.301 62.885 63.100 0.143 0.000 0.790 607 P CB 0.860 32.642 31.700 0.137 0.000 0.951 608 E N 0.040 120.296 120.200 0.093 0.000 2.107 608 E HA -0.055 4.298 4.350 0.005 0.000 0.191 608 E C 0.609 177.251 176.600 0.069 0.000 0.982 608 E CA 0.753 57.193 56.400 0.066 0.000 0.809 608 E CB 0.000 29.734 29.700 0.057 0.000 0.756 608 E HN 0.539 nan 8.360 nan 0.000 0.459 609 S N -0.477 115.272 115.700 0.083 0.000 2.584 609 S HA 0.065 4.538 4.470 0.005 0.000 0.273 609 S C 0.699 175.376 174.600 0.130 0.000 1.311 609 S CA -0.809 57.452 58.200 0.103 0.000 1.034 609 S CB 1.100 64.353 63.200 0.087 0.000 0.939 609 S HN 0.174 nan 8.310 nan 0.000 0.513 610 F N 2.170 122.131 119.950 0.019 0.000 2.095 610 F HA -0.061 4.469 4.527 0.005 0.000 0.298 610 F C 2.261 178.090 175.800 0.049 0.000 1.104 610 F CA 2.124 60.124 58.000 -0.000 0.000 1.232 610 F CB -0.519 38.472 39.000 -0.014 0.000 0.987 610 F HN 0.846 nan 8.300 nan 0.000 0.475 611 E N -0.337 119.876 120.200 0.022 0.000 2.160 611 E HA -0.231 4.122 4.350 0.005 0.000 0.195 611 E C 1.692 178.269 176.600 -0.039 0.000 0.991 611 E CA 1.426 57.790 56.400 -0.061 0.000 0.810 611 E CB -0.272 29.452 29.700 0.041 0.000 0.742 611 E HN 0.470 nan 8.360 nan 0.000 0.466 612 D N -0.021 120.393 120.400 0.022 0.000 2.194 612 D HA -0.093 4.550 4.640 0.005 0.000 0.204 612 D C 1.501 177.824 176.300 0.038 0.000 0.964 612 D CA 0.428 54.482 54.000 0.089 0.000 0.846 612 D CB -0.233 40.623 40.800 0.092 0.000 0.962 612 D HN 0.101 nan 8.370 nan 0.000 0.490 613 F N 1.070 120.909 119.950 -0.186 0.000 2.134 613 F HA -0.197 4.333 4.527 0.005 0.000 0.299 613 F C 2.008 177.573 175.800 -0.392 0.000 1.097 613 F CA 1.013 58.845 58.000 -0.281 0.000 1.264 613 F CB -0.169 38.642 39.000 -0.315 0.000 1.001 613 F HN -0.210 nan 8.300 nan 0.000 0.479 614 V N 0.184 119.842 119.914 -0.427 0.000 2.295 614 V HA -0.328 3.795 4.120 0.005 0.000 0.246 614 V C 2.138 178.043 176.094 -0.315 0.000 1.049 614 V CA 2.252 64.277 62.300 -0.457 0.000 1.024 614 V CB -1.252 30.310 31.823 -0.436 0.000 0.648 614 V HN 0.614 nan 8.190 nan 0.000 0.447 615 Y N 1.170 121.309 120.300 -0.268 0.000 2.097 615 Y HA -0.249 4.304 4.550 0.005 0.000 0.282 615 Y C 2.343 178.061 175.900 -0.303 0.000 1.152 615 Y CA 2.088 60.072 58.100 -0.194 0.000 1.136 615 Y CB -0.807 37.623 38.460 -0.050 0.000 0.975 615 Y HN 0.051 nan 8.280 nan 0.000 0.498 616 V N 0.735 120.172 119.914 -0.795 0.000 2.407 616 V HA -0.238 3.885 4.120 0.005 0.000 0.248 616 V C 2.681 178.252 176.094 -0.872 0.000 1.055 616 V CA 1.863 63.579 62.300 -0.974 0.000 1.049 616 V CB -1.660 29.745 31.823 -0.696 0.000 0.662 616 V HN 0.661 nan 8.190 nan 0.000 0.455 617 G N -0.207 108.123 108.800 -0.783 0.000 2.432 617 G HA2 -0.196 3.766 3.960 0.005 0.000 0.219 617 G HA3 -0.196 3.766 3.960 0.005 0.000 0.219 617 G C 1.580 176.196 174.900 -0.473 0.000 1.135 617 G CA 0.834 45.571 45.100 -0.606 0.000 0.767 617 G HN 0.472 nan 8.290 nan 0.000 0.550 618 L N 0.080 120.988 121.223 -0.524 0.000 2.017 618 L HA -0.085 4.258 4.340 0.005 0.000 0.208 618 L C 3.004 179.454 176.870 -0.700 0.000 1.073 618 L CA 0.553 55.037 54.840 -0.592 0.000 0.745 618 L CB -0.571 41.091 42.059 -0.661 0.000 0.894 618 L HN 0.084 nan 8.230 nan 0.000 0.432 619 V N 0.021 119.505 119.914 -0.717 0.000 2.255 619 V HA -0.318 3.805 4.120 0.005 0.000 0.247 619 V C 2.412 178.162 176.094 -0.573 0.000 1.051 619 V CA 1.912 63.829 62.300 -0.639 0.000 1.018 619 V CB -0.524 30.877 31.823 -0.704 0.000 0.641 619 V HN 0.346 nan 8.190 nan 0.000 0.445 620 L N 0.150 120.972 121.223 -0.669 0.000 1.956 620 L HA -0.286 4.057 4.340 0.005 0.000 0.216 620 L C 2.558 179.155 176.870 -0.456 0.000 1.073 620 L CA 2.673 57.238 54.840 -0.458 0.000 0.762 620 L CB -0.971 40.870 42.059 -0.363 0.000 0.889 620 L HN 0.420 nan 8.230 nan 0.000 0.433 621 Q N -0.846 118.754 119.800 -0.332 0.000 2.133 621 Q HA -0.223 4.120 4.340 0.005 0.000 0.208 621 Q C 1.984 177.725 176.000 -0.431 0.000 0.991 621 Q CA 2.056 57.716 55.803 -0.239 0.000 0.867 621 Q CB -0.555 28.116 28.738 -0.110 0.000 0.911 621 Q HN 0.731 nan 8.270 nan 0.000 0.417 622 G N -0.046 108.474 108.800 -0.467 0.000 2.402 622 G HA2 -0.227 3.736 3.960 0.005 0.000 0.216 622 G HA3 -0.227 3.736 3.960 0.005 0.000 0.216 622 G C 1.358 176.000 174.900 -0.430 0.000 1.162 622 G CA 0.385 45.210 45.100 -0.458 0.000 0.777 622 G HN 0.272 nan 8.290 nan 0.000 0.539 623 Q N 0.306 119.846 119.800 -0.433 0.000 2.096 623 Q HA 0.011 4.354 4.340 0.005 0.000 0.197 623 Q C 2.822 178.501 176.000 -0.535 0.000 0.964 623 Q CA 1.259 56.839 55.803 -0.371 0.000 0.838 623 Q CB -0.609 27.972 28.738 -0.261 0.000 0.906 623 Q HN 0.429 nan 8.270 nan 0.000 0.444 624 G N 0.796 108.995 108.800 -1.001 0.000 2.404 624 G HA2 -0.209 3.754 3.960 0.005 0.000 0.215 624 G HA3 -0.209 3.754 3.960 0.005 0.000 0.215 624 G C 1.474 175.863 174.900 -0.852 0.000 1.174 624 G CA 0.556 44.565 45.100 -1.819 0.000 0.780 624 G HN 0.146 nan 8.290 nan 0.000 0.537 625 M N 1.301 120.539 119.600 -0.603 0.000 2.086 625 M HA -0.071 4.412 4.480 0.005 0.000 0.261 625 M C 2.632 178.822 176.300 -0.184 0.000 1.067 625 M CA 1.708 56.850 55.300 -0.264 0.000 1.116 625 M CB -0.904 31.440 32.600 -0.426 0.000 1.348 625 M HN 0.414 nan 8.290 nan 0.000 0.407 626 R N -0.870 119.458 120.500 -0.287 0.000 2.120 626 R HA -0.169 4.174 4.340 0.005 0.000 0.234 626 R C 1.924 178.148 176.300 -0.126 0.000 1.123 626 R CA 1.957 57.922 56.100 -0.226 0.000 0.975 626 R CB -1.545 28.603 30.300 -0.255 0.000 0.866 626 R HN 0.394 nan 8.270 nan 0.000 0.446 627 H N -0.018 118.936 119.070 -0.193 0.000 2.422 627 H HA 0.026 4.585 4.556 0.005 0.000 0.298 627 H C 1.953 177.198 175.328 -0.139 0.000 1.098 627 H CA 2.126 58.094 56.048 -0.133 0.000 1.315 627 H CB -0.446 29.248 29.762 -0.113 0.000 1.382 627 H HN 0.418 nan 8.280 nan 0.000 0.523 628 G N -0.012 108.756 108.800 -0.052 0.000 2.394 628 G HA2 -0.167 3.796 3.960 0.005 0.000 0.214 628 G HA3 -0.167 3.796 3.960 0.005 0.000 0.214 628 G C 1.677 176.189 174.900 -0.647 0.000 1.176 628 G CA 0.745 45.667 45.100 -0.296 0.000 0.786 628 G HN 0.400 nan 8.290 nan 0.000 0.533 629 L N 0.336 121.477 121.223 -0.137 0.000 2.079 629 L HA -0.092 4.251 4.340 0.005 0.000 0.210 629 L C 2.824 179.640 176.870 -0.090 0.000 1.081 629 L CA 1.363 56.211 54.840 0.013 0.000 0.752 629 L CB -0.475 41.623 42.059 0.066 0.000 0.896 629 L HN 0.275 nan 8.230 nan 0.000 0.433 630 E N 0.333 120.417 120.200 -0.192 0.000 2.051 630 E HA -0.220 4.132 4.350 0.005 0.000 0.192 630 E C 2.377 178.806 176.600 -0.286 0.000 0.991 630 E CA 1.167 57.437 56.400 -0.216 0.000 0.799 630 E CB -0.248 29.311 29.700 -0.234 0.000 0.748 630 E HN 0.509 nan 8.360 nan 0.000 0.449 631 A N 0.915 123.493 122.820 -0.403 0.000 1.978 631 A HA -0.243 4.080 4.320 0.005 0.000 0.220 631 A C 1.661 179.136 177.584 -0.180 0.000 1.170 631 A CA 1.777 53.605 52.037 -0.348 0.000 0.636 631 A CB -0.837 17.935 19.000 -0.379 0.000 0.810 631 A HN 0.350 nan 8.150 nan 0.000 0.448 632 H N -1.235 117.781 119.070 -0.090 0.000 2.372 632 H HA 0.035 4.593 4.556 0.005 0.000 0.301 632 H C 2.458 177.813 175.328 0.046 0.000 1.065 632 H CA 0.952 57.018 56.048 0.030 0.000 1.364 632 H CB -0.010 29.796 29.762 0.074 0.000 1.406 632 H HN 0.382 nan 8.280 nan 0.000 0.521 633 R N 0.771 121.238 120.500 -0.056 0.000 2.081 633 R HA -0.105 4.237 4.340 0.005 0.000 0.235 633 R C 2.384 178.495 176.300 -0.316 0.000 1.131 633 R CA 1.049 56.832 56.100 -0.527 0.000 0.960 633 R CB -0.209 29.819 30.300 -0.454 0.000 0.856 633 R HN 0.255 nan 8.270 nan 0.000 0.436 634 R N 0.857 121.214 120.500 -0.239 0.000 2.127 634 R HA -0.076 4.267 4.340 0.005 0.000 0.238 634 R C 0.972 177.143 176.300 -0.215 0.000 1.134 634 R CA 1.313 57.232 56.100 -0.302 0.000 0.975 634 R CB 0.006 30.026 30.300 -0.466 0.000 0.865 634 R HN 0.222 nan 8.270 nan 0.000 0.447 635 N N 0.770 119.413 118.700 -0.096 0.000 2.251 635 N HA -0.033 4.710 4.740 0.005 0.000 0.217 635 N C -0.358 175.236 175.510 0.141 0.000 1.124 635 N CA -0.116 52.944 53.050 0.018 0.000 0.843 635 N CB 0.362 38.876 38.487 0.045 0.000 1.024 635 N HN 0.187 nan 8.380 nan 0.000 0.501 636 R N 2.443 123.006 120.500 0.105 0.000 2.623 636 R HA 0.046 4.389 4.340 0.005 0.000 0.271 636 R C -1.340 175.037 176.300 0.128 0.000 1.043 636 R CA -0.695 55.501 56.100 0.160 0.000 1.083 636 R CB 0.690 31.035 30.300 0.075 0.000 0.974 636 R HN 0.002 nan 8.270 nan 0.000 0.436 637 P HA -0.092 nan 4.420 nan 0.000 0.245 637 P C 0.688 178.081 177.300 0.155 0.000 1.206 637 P CA 0.600 63.772 63.100 0.119 0.000 0.781 637 P CB -0.066 31.664 31.700 0.050 0.000 0.994 638 Y N 0.912 121.269 120.300 0.095 0.000 2.114 638 Y HA -0.179 4.374 4.550 0.004 0.000 0.282 638 Y C 1.277 177.260 175.900 0.138 0.000 1.165 638 Y CA 1.249 59.416 58.100 0.111 0.000 1.148 638 Y CB -0.614 37.907 38.460 0.102 0.000 0.972 638 Y HN 0.002 nan 8.280 nan 0.000 0.504 639 C N 2.299 121.807 119.300 0.348 0.000 2.369 639 C HA 0.351 4.814 4.460 0.005 0.000 0.358 639 C C 0.637 175.798 174.990 0.284 0.000 1.274 639 C CA -0.719 58.457 59.018 0.264 0.000 1.935 639 C CB -0.233 27.694 27.740 0.311 0.000 2.431 639 C HN 0.599 nan 8.230 nan 0.000 0.545 640 M N 4.773 124.425 119.600 0.086 0.000 2.502 640 M HA 0.317 4.800 4.480 0.005 0.000 0.351 640 M C 0.417 176.222 176.300 -0.826 0.000 1.118 640 M CA 0.145 55.409 55.300 -0.061 0.000 0.952 640 M CB 0.050 32.764 32.600 0.191 0.000 1.424 640 M HN 0.967 nan 8.290 nan 0.000 0.529 641 G N -0.292 107.690 108.800 -1.364 0.000 2.442 641 G HA2 0.386 4.349 3.960 0.005 0.000 0.296 641 G HA3 0.386 4.349 3.960 0.005 0.000 0.296 641 G C -1.654 172.441 174.900 -1.343 0.000 1.564 641 G CA -0.368 43.612 45.100 -1.866 0.000 0.828 641 G HN -0.080 nan 8.290 nan 0.000 0.571 642 T N 0.538 114.615 114.554 -0.795 0.000 3.109 642 T HA 0.595 4.948 4.350 0.005 0.000 0.311 642 T C -1.131 173.544 174.700 -0.042 0.000 1.011 642 T CA -0.468 61.477 62.100 -0.257 0.000 1.026 642 T CB 0.625 69.653 68.868 0.267 0.000 1.047 642 T HN 0.574 nan 8.240 nan 0.000 0.448 643 L N 6.725 127.962 121.223 0.024 0.000 2.353 643 L HA 0.500 4.842 4.340 0.005 0.000 0.270 643 L C -0.256 176.672 176.870 0.097 0.000 1.003 643 L CA -1.332 53.520 54.840 0.020 0.000 0.862 643 L CB 0.777 42.800 42.059 -0.060 0.000 1.221 643 L HN 0.729 nan 8.230 nan 0.000 0.430 644 Y N 0.341 120.685 120.300 0.073 0.000 2.397 644 Y HA 0.206 4.758 4.550 0.005 0.000 0.335 644 Y C -0.230 175.550 175.900 -0.200 0.000 1.213 644 Y CA -0.737 57.262 58.100 -0.169 0.000 1.391 644 Y CB 0.670 38.885 38.460 -0.408 0.000 1.293 644 Y HN 0.549 nan 8.280 nan 0.000 0.557 645 W N 7.007 128.219 121.300 -0.146 0.000 2.342 645 W HA 0.333 4.996 4.660 0.005 0.000 0.310 645 W C -1.328 175.193 176.519 0.003 0.000 1.128 645 W CA -0.596 56.674 57.345 -0.126 0.000 1.322 645 W CB 1.094 30.552 29.460 -0.004 0.000 1.251 645 W HN 0.937 nan 8.180 nan 0.000 0.439 646 Q N 3.801 123.355 119.800 -0.411 0.000 2.553 646 Q HA 0.290 4.632 4.340 0.005 0.000 0.293 646 Q C -0.443 175.227 176.000 -0.550 0.000 1.038 646 Q CA -0.861 54.317 55.803 -1.041 0.000 0.777 646 Q CB 1.851 29.494 28.738 -1.825 0.000 1.487 646 Q HN 0.391 nan 8.270 nan 0.000 0.426 647 L N 0.999 121.825 121.223 -0.663 0.000 2.068 647 L HA 0.090 4.433 4.340 0.005 0.000 0.204 647 L C 0.136 176.774 176.870 -0.387 0.000 1.076 647 L CA 1.861 56.448 54.840 -0.422 0.000 0.753 647 L CB -0.145 41.669 42.059 -0.409 0.000 0.910 647 L HN 0.890 nan 8.230 nan 0.000 0.439 648 N N -2.141 116.248 118.700 -0.518 0.000 2.831 648 N HA 0.270 5.013 4.740 0.005 0.000 0.276 648 N C -1.655 173.552 175.510 -0.504 0.000 1.416 648 N CA -0.637 52.144 53.050 -0.448 0.000 0.799 648 N CB 1.371 39.617 38.487 -0.402 0.000 1.554 648 N HN -0.120 nan 8.380 nan 0.000 0.541 649 D N -0.878 119.313 120.400 -0.349 0.000 2.575 649 D HA 0.289 4.932 4.640 0.005 0.000 0.236 649 D C 0.298 176.535 176.300 -0.106 0.000 1.075 649 D CA -0.363 53.478 54.000 -0.266 0.000 0.860 649 D CB 2.218 42.928 40.800 -0.150 0.000 1.475 649 D HN 0.602 nan 8.370 nan 0.000 0.474 650 S N 0.265 115.959 115.700 -0.009 0.000 2.548 650 S HA 0.146 4.619 4.470 0.005 0.000 0.215 650 S C 0.442 175.051 174.600 0.016 0.000 0.976 650 S CA -0.218 58.059 58.200 0.130 0.000 0.908 650 S CB 0.255 63.614 63.200 0.266 0.000 0.781 650 S HN 0.606 nan 8.310 nan 0.000 0.519 651 W N -0.601 120.328 121.300 -0.618 0.000 2.926 651 W HA 0.510 5.173 4.660 0.005 0.000 0.361 651 W C -3.886 172.115 176.519 -0.864 0.000 1.195 651 W CA -2.506 53.947 57.345 -1.487 0.000 1.177 651 W CB -0.215 28.283 29.460 -1.602 0.000 1.453 651 W HN -0.256 nan 8.180 nan 0.000 0.571 652 P HA 0.322 nan 4.420 nan 0.000 0.270 652 P C -0.459 176.125 177.300 -1.193 0.000 1.242 652 P CA 0.566 63.282 63.100 -0.641 0.000 0.768 652 P CB 1.133 32.803 31.700 -0.050 0.000 0.820 653 V N 4.307 123.731 119.914 -0.816 0.000 3.264 653 V HA 0.237 4.360 4.120 0.005 0.000 0.294 653 V C -1.180 174.639 176.094 -0.459 0.000 1.429 653 V CA -0.895 60.873 62.300 -0.886 0.000 1.053 653 V CB 2.585 33.804 31.823 -1.008 0.000 1.128 653 V HN 0.013 nan 8.190 nan 0.000 0.452 654 V N 4.576 124.215 119.914 -0.457 0.000 2.432 654 V HA 0.755 4.878 4.120 0.005 0.000 0.271 654 V C 0.383 176.195 176.094 -0.471 0.000 1.046 654 V CA 0.917 62.903 62.300 -0.523 0.000 0.945 654 V CB 0.618 31.960 31.823 -0.802 0.000 0.992 654 V HN 1.174 nan 8.190 nan 0.000 0.471 655 S N 3.903 119.320 115.700 -0.473 0.000 2.727 655 S HA 0.439 4.912 4.470 0.005 0.000 0.278 655 S C -0.222 174.068 174.600 -0.516 0.000 1.186 655 S CA -0.829 57.090 58.200 -0.468 0.000 0.836 655 S CB 1.164 64.337 63.200 -0.045 0.000 1.186 655 S HN 0.522 nan 8.310 nan 0.000 0.499 656 W N 2.521 123.675 121.300 -0.244 0.000 3.180 656 W HA 0.205 4.868 4.660 0.005 0.000 0.254 656 W C 1.124 177.483 176.519 -0.268 0.000 1.318 656 W CA 0.187 57.385 57.345 -0.246 0.000 1.608 656 W CB -0.530 28.925 29.460 -0.008 0.000 1.124 656 W HN 0.778 nan 8.180 nan 0.000 0.694 657 S N 0.539 116.169 115.700 -0.116 0.000 2.584 657 S HA 0.076 4.549 4.470 0.005 0.000 0.270 657 S C 1.178 175.669 174.600 -0.182 0.000 1.346 657 S CA 0.201 58.277 58.200 -0.206 0.000 1.018 657 S CB 1.613 64.658 63.200 -0.257 0.000 0.899 657 S HN 0.111 nan 8.310 nan 0.000 0.542 658 S N 0.469 116.079 115.700 -0.151 0.000 2.524 658 S HA 0.365 4.838 4.470 0.005 0.000 0.215 658 S C 0.172 174.637 174.600 -0.226 0.000 0.986 658 S CA -0.485 57.612 58.200 -0.171 0.000 0.911 658 S CB -0.587 62.568 63.200 -0.076 0.000 0.805 658 S HN 0.694 nan 8.310 nan 0.000 0.501 659 I N 3.260 123.675 120.570 -0.258 0.000 2.500 659 I HA 0.315 4.488 4.170 0.005 0.000 0.286 659 I C -0.966 175.049 176.117 -0.170 0.000 1.063 659 I CA -0.908 60.234 61.300 -0.262 0.000 1.062 659 I CB 1.959 39.706 38.000 -0.423 0.000 1.223 659 I HN 0.126 nan 8.210 nan 0.000 0.435 660 D N 4.636 124.991 120.400 -0.074 0.000 2.393 660 D HA -0.102 4.541 4.640 0.005 0.000 0.246 660 D C 0.985 177.264 176.300 -0.035 0.000 1.275 660 D CA 0.005 53.984 54.000 -0.036 0.000 0.979 660 D CB 0.566 41.397 40.800 0.052 0.000 1.101 660 D HN 0.534 nan 8.370 nan 0.000 0.505 661 Y N -0.260 119.925 120.300 -0.192 0.000 2.333 661 Y HA -0.168 4.385 4.550 0.005 0.000 0.290 661 Y C 1.142 176.843 175.900 -0.331 0.000 1.144 661 Y CA 1.320 59.225 58.100 -0.325 0.000 1.228 661 Y CB -0.355 37.805 38.460 -0.501 0.000 0.985 661 Y HN 0.405 nan 8.280 nan 0.000 0.542 662 Y N -0.113 120.137 120.300 -0.084 0.000 2.529 662 Y HA 0.264 4.817 4.550 0.005 0.000 0.290 662 Y C 1.976 177.830 175.900 -0.077 0.000 1.177 662 Y CA 0.479 58.509 58.100 -0.117 0.000 1.305 662 Y CB -0.055 38.426 38.460 0.035 0.000 1.047 662 Y HN 0.235 nan 8.280 nan 0.000 0.522 663 G N -0.401 108.412 108.800 0.021 0.000 2.176 663 G HA2 -0.258 3.704 3.960 0.005 0.000 0.232 663 G HA3 -0.258 3.704 3.960 0.005 0.000 0.232 663 G C -0.111 174.886 174.900 0.162 0.000 0.986 663 G CA -0.391 44.738 45.100 0.047 0.000 0.643 663 G HN 0.284 nan 8.290 nan 0.000 0.522 664 N N 0.460 119.275 118.700 0.191 0.000 2.488 664 N HA 0.303 5.046 4.740 0.005 0.000 0.274 664 N C -0.195 175.498 175.510 0.305 0.000 1.111 664 N CA -0.028 53.182 53.050 0.267 0.000 0.974 664 N CB 0.484 39.129 38.487 0.263 0.000 1.089 664 N HN 0.207 nan 8.380 nan 0.000 0.465 665 W N 2.474 123.787 121.300 0.022 0.000 2.368 665 W HA 0.183 4.846 4.660 0.005 0.000 0.316 665 W C 1.092 177.657 176.519 0.077 0.000 1.375 665 W CA -0.387 56.912 57.345 -0.077 0.000 1.261 665 W CB -0.070 29.201 29.460 -0.316 0.000 1.298 665 W HN 0.210 nan 8.180 nan 0.000 0.539 666 K N 2.097 122.552 120.400 0.092 0.000 2.132 666 K HA 0.333 4.656 4.320 0.005 0.000 0.240 666 K C 1.332 177.815 176.600 -0.195 0.000 1.036 666 K CA 0.028 56.244 56.287 -0.117 0.000 0.888 666 K CB 0.485 32.835 32.500 -0.251 0.000 1.071 666 K HN 0.455 nan 8.250 nan 0.000 0.502 667 A N 1.114 123.369 122.820 -0.941 0.000 1.917 667 A HA -0.206 4.117 4.320 0.005 0.000 0.219 667 A C 2.004 179.377 177.584 -0.351 0.000 1.182 667 A CA 1.748 53.196 52.037 -0.983 0.000 0.633 667 A CB -0.601 17.513 19.000 -1.476 0.000 0.819 667 A HN 0.639 nan 8.150 nan 0.000 0.448 668 L N -0.977 119.994 121.223 -0.421 0.000 2.079 668 L HA -0.196 4.147 4.340 0.005 0.000 0.210 668 L C 2.188 178.805 176.870 -0.421 0.000 1.081 668 L CA 2.786 57.365 54.840 -0.434 0.000 0.752 668 L CB -0.942 40.828 42.059 -0.482 0.000 0.896 668 L HN 0.586 nan 8.230 nan 0.000 0.433 669 H N -2.027 116.786 119.070 -0.428 0.000 2.357 669 H HA -0.139 4.420 4.556 0.005 0.000 0.301 669 H C 1.876 176.921 175.328 -0.471 0.000 1.082 669 H CA 2.278 57.956 56.048 -0.617 0.000 1.342 669 H CB -0.173 28.959 29.762 -1.050 0.000 1.389 669 H HN 0.465 nan 8.280 nan 0.000 0.511 670 Y N 0.046 120.364 120.300 0.031 0.000 2.224 670 Y HA -0.196 4.356 4.550 0.005 0.000 0.289 670 Y C 2.526 178.386 175.900 -0.067 0.000 1.146 670 Y CA 1.024 59.219 58.100 0.158 0.000 1.182 670 Y CB -0.051 38.586 38.460 0.295 0.000 0.983 670 Y HN 0.265 nan 8.280 nan 0.000 0.524 671 Q N -0.217 119.550 119.800 -0.054 0.000 2.123 671 Q HA -0.078 4.265 4.340 0.005 0.000 0.199 671 Q C 2.584 178.372 176.000 -0.354 0.000 0.966 671 Q CA 1.148 56.842 55.803 -0.181 0.000 0.845 671 Q CB -0.540 28.049 28.738 -0.249 0.000 0.907 671 Q HN 0.534 nan 8.270 nan 0.000 0.439 672 A N 1.827 124.316 122.820 -0.552 0.000 1.902 672 A HA -0.225 4.098 4.320 0.005 0.000 0.217 672 A C 2.162 179.339 177.584 -0.677 0.000 1.181 672 A CA 1.823 53.352 52.037 -0.846 0.000 0.623 672 A CB -0.495 17.977 19.000 -0.880 0.000 0.818 672 A HN 0.319 nan 8.150 nan 0.000 0.443 673 K N -0.269 119.882 120.400 -0.415 0.000 2.020 673 K HA -0.240 4.083 4.320 0.005 0.000 0.212 673 K C 2.249 178.823 176.600 -0.043 0.000 1.050 673 K CA 1.931 58.134 56.287 -0.141 0.000 0.929 673 K CB -0.230 32.264 32.500 -0.009 0.000 0.714 673 K HN 0.470 nan 8.250 nan 0.000 0.443 674 R N -0.235 120.232 120.500 -0.055 0.000 2.075 674 R HA -0.062 4.281 4.340 0.005 0.000 0.232 674 R C 2.421 178.694 176.300 -0.045 0.000 1.126 674 R CA 1.250 57.340 56.100 -0.017 0.000 0.963 674 R CB -0.373 29.924 30.300 -0.005 0.000 0.858 674 R HN 0.289 nan 8.270 nan 0.000 0.435 675 A N 0.244 122.973 122.820 -0.152 0.000 2.121 675 A HA -0.080 4.243 4.320 0.005 0.000 0.218 675 A C 1.188 178.821 177.584 0.081 0.000 1.154 675 A CA 1.000 52.963 52.037 -0.123 0.000 0.679 675 A CB -0.131 18.711 19.000 -0.262 0.000 0.795 675 A HN 0.191 nan 8.150 nan 0.000 0.458 676 F N -0.564 119.364 119.950 -0.037 0.000 2.678 676 F HA 0.469 4.999 4.527 0.005 0.000 0.305 676 F C 1.404 177.194 175.800 -0.018 0.000 1.090 676 F CA -1.008 56.978 58.000 -0.023 0.000 1.272 676 F CB -0.909 38.076 39.000 -0.026 0.000 1.060 676 F HN 0.164 nan 8.300 nan 0.000 0.576 677 A N 1.729 124.642 122.820 0.155 0.000 2.565 677 A HA 0.101 4.424 4.320 0.005 0.000 0.237 677 A C -1.147 176.486 177.584 0.082 0.000 1.053 677 A CA -0.643 51.453 52.037 0.099 0.000 0.755 677 A CB -0.251 18.790 19.000 0.068 0.000 0.980 677 A HN 0.060 nan 8.150 nan 0.000 0.506 678 P HA -0.089 nan 4.420 nan 0.000 0.216 678 P C 0.095 177.432 177.300 0.061 0.000 1.153 678 P CA 1.178 64.321 63.100 0.072 0.000 0.858 678 P CB -0.020 31.728 31.700 0.081 0.000 0.789 679 V N 0.341 120.287 119.914 0.053 0.000 2.448 679 V HA 0.408 4.531 4.120 0.005 0.000 0.295 679 V C -0.271 175.845 176.094 0.037 0.000 1.025 679 V CA -0.754 61.571 62.300 0.043 0.000 0.859 679 V CB 1.707 33.555 31.823 0.041 0.000 0.988 679 V HN -0.160 nan 8.190 nan 0.000 0.431 680 L N 6.372 127.613 121.223 0.029 0.000 2.410 680 L HA 0.687 5.030 4.340 0.005 0.000 0.270 680 L C -0.796 176.091 176.870 0.029 0.000 0.983 680 L CA -0.084 54.771 54.840 0.025 0.000 0.822 680 L CB 1.776 43.843 42.059 0.014 0.000 1.285 680 L HN 0.567 nan 8.230 nan 0.000 0.409 681 I N 4.701 125.288 120.570 0.029 0.000 2.325 681 I HA 0.305 4.478 4.170 0.005 0.000 0.291 681 I C 0.066 176.203 176.117 0.034 0.000 1.019 681 I CA 0.042 61.363 61.300 0.034 0.000 1.302 681 I CB 0.732 38.746 38.000 0.024 0.000 1.401 681 I HN 0.661 nan 8.210 nan 0.000 0.485 682 N N 8.832 127.564 118.700 0.054 0.000 2.706 682 N HA 0.346 5.088 4.740 0.005 0.000 0.240 682 N C -2.694 172.856 175.510 0.066 0.000 1.039 682 N CA -1.601 51.473 53.050 0.040 0.000 0.888 682 N CB 1.429 39.916 38.487 -0.001 0.000 1.128 682 N HN 0.224 nan 8.380 nan 0.000 0.512 683 P HA 0.208 nan 4.420 nan 0.000 0.281 683 P C -0.861 176.390 177.300 -0.081 0.000 1.252 683 P CA -0.400 62.651 63.100 -0.081 0.000 0.778 683 P CB 1.311 32.834 31.700 -0.295 0.000 0.895 684 I N 2.217 122.783 120.570 -0.008 0.000 2.478 684 I HA 0.320 4.493 4.170 0.005 0.000 0.287 684 I C -0.870 175.308 176.117 0.103 0.000 1.042 684 I CA -0.888 60.451 61.300 0.065 0.000 1.067 684 I CB 1.843 39.862 38.000 0.031 0.000 1.233 684 I HN 0.289 nan 8.210 nan 0.000 0.431 685 Q N 6.936 126.845 119.800 0.182 0.000 2.333 685 Q HA 0.616 4.959 4.340 0.005 0.000 0.265 685 Q C -1.605 174.509 176.000 0.190 0.000 0.989 685 Q CA -0.499 55.433 55.803 0.215 0.000 0.842 685 Q CB 1.231 30.185 28.738 0.360 0.000 1.262 685 Q HN 0.749 nan 8.270 nan 0.000 0.451 686 Q N 2.368 122.259 119.800 0.152 0.000 2.418 686 Q HA 0.338 4.681 4.340 0.005 0.000 0.282 686 Q C -0.930 175.131 176.000 0.102 0.000 1.044 686 Q CA -0.914 54.962 55.803 0.121 0.000 0.813 686 Q CB 1.809 30.611 28.738 0.106 0.000 1.428 686 Q HN 0.824 nan 8.270 nan 0.000 0.402 687 N N 2.049 120.798 118.700 0.083 0.000 2.725 687 N HA -0.228 4.515 4.740 0.005 0.000 0.251 687 N C -0.764 174.788 175.510 0.071 0.000 1.031 687 N CA 1.561 54.651 53.050 0.066 0.000 0.720 687 N CB -0.926 37.596 38.487 0.057 0.000 0.930 687 N HN 1.005 nan 8.380 nan 0.000 0.543 688 D N -1.396 119.052 120.400 0.081 0.000 2.811 688 D HA -0.189 4.454 4.640 0.005 0.000 0.231 688 D C -0.641 175.722 176.300 0.105 0.000 1.157 688 D CA 1.686 55.736 54.000 0.083 0.000 0.716 688 D CB -0.744 40.088 40.800 0.053 0.000 1.077 688 D HN 0.624 nan 8.370 nan 0.000 0.428 689 S N -1.111 114.666 115.700 0.128 0.000 2.595 689 S HA 0.735 5.208 4.470 0.005 0.000 0.281 689 S C -1.645 173.066 174.600 0.186 0.000 1.117 689 S CA -0.982 57.307 58.200 0.148 0.000 0.873 689 S CB 1.466 64.725 63.200 0.099 0.000 1.108 689 S HN 0.310 nan 8.310 nan 0.000 0.477 690 L N 2.582 123.939 121.223 0.223 0.000 2.341 690 L HA 0.813 5.156 4.340 0.005 0.000 0.278 690 L C -0.443 176.525 176.870 0.163 0.000 1.005 690 L CA 0.179 55.157 54.840 0.231 0.000 0.818 690 L CB 1.837 44.129 42.059 0.388 0.000 1.259 690 L HN 0.644 nan 8.230 nan 0.000 0.418 691 S N 2.836 118.621 115.700 0.142 0.000 2.536 691 S HA 0.860 5.333 4.470 0.005 0.000 0.298 691 S C -1.346 173.352 174.600 0.163 0.000 1.083 691 S CA -0.506 57.770 58.200 0.128 0.000 0.995 691 S CB 1.637 64.944 63.200 0.179 0.000 1.058 691 S HN 0.424 nan 8.310 nan 0.000 0.488 692 V N 4.597 124.584 119.914 0.121 0.000 2.444 692 V HA 0.482 4.605 4.120 0.005 0.000 0.294 692 V C -1.377 174.728 176.094 0.019 0.000 1.022 692 V CA -0.569 61.805 62.300 0.124 0.000 0.850 692 V CB 1.014 32.907 31.823 0.116 0.000 0.992 692 V HN 0.884 nan 8.190 nan 0.000 0.426 693 Y N 4.337 124.644 120.300 0.010 0.000 2.420 693 Y HA 0.688 5.241 4.550 0.005 0.000 0.334 693 Y C 0.053 175.949 175.900 -0.006 0.000 1.094 693 Y CA -0.886 57.214 58.100 0.001 0.000 1.126 693 Y CB 1.901 40.351 38.460 -0.017 0.000 1.217 693 Y HN 0.406 nan 8.280 nan 0.000 0.462 694 L N 4.814 126.123 121.223 0.142 0.000 2.313 694 L HA 0.585 4.928 4.340 0.005 0.000 0.283 694 L C -0.970 175.954 176.870 0.089 0.000 1.013 694 L CA -0.571 54.321 54.840 0.085 0.000 0.816 694 L CB 1.484 43.568 42.059 0.042 0.000 1.236 694 L HN 0.512 nan 8.230 nan 0.000 0.419 695 I N 2.169 122.771 120.570 0.055 0.000 2.447 695 I HA 0.310 4.483 4.170 0.005 0.000 0.287 695 I C -0.316 175.809 176.117 0.014 0.000 1.023 695 I CA -0.177 61.134 61.300 0.020 0.000 1.083 695 I CB 2.137 40.118 38.000 -0.030 0.000 1.245 695 I HN 0.503 nan 8.210 nan 0.000 0.434 696 S N 3.861 119.574 115.700 0.022 0.000 2.502 696 S HA 0.375 4.848 4.470 0.005 0.000 0.304 696 S C -0.163 174.475 174.600 0.063 0.000 1.097 696 S CA -0.636 57.590 58.200 0.043 0.000 1.045 696 S CB 1.133 64.363 63.200 0.051 0.000 1.019 696 S HN 0.554 nan 8.310 nan 0.000 0.481 697 D N 3.149 123.608 120.400 0.099 0.000 2.427 697 D HA 0.158 4.800 4.640 0.005 0.000 0.224 697 D C 0.211 176.715 176.300 0.339 0.000 1.157 697 D CA -0.022 54.109 54.000 0.218 0.000 0.828 697 D CB 0.304 41.207 40.800 0.173 0.000 0.974 697 D HN 0.411 nan 8.370 nan 0.000 0.498 698 R N 0.437 121.052 120.500 0.191 0.000 2.594 698 R HA 0.242 4.585 4.340 0.005 0.000 0.272 698 R C 1.568 177.886 176.300 0.030 0.000 1.074 698 R CA -0.263 55.918 56.100 0.135 0.000 1.105 698 R CB 1.326 31.666 30.300 0.068 0.000 1.008 698 R HN 0.020 nan 8.270 nan 0.000 0.472 699 L N 1.418 122.565 121.223 -0.127 0.000 2.376 699 L HA -0.068 4.275 4.340 0.005 0.000 0.219 699 L C 0.607 177.384 176.870 -0.155 0.000 1.133 699 L CA 0.694 55.355 54.840 -0.297 0.000 0.816 699 L CB -0.380 41.388 42.059 -0.485 0.000 0.933 699 L HN 0.701 nan 8.230 nan 0.000 0.449 700 D N -1.053 119.299 120.400 -0.080 0.000 2.163 700 D HA 0.118 4.761 4.640 0.005 0.000 0.248 700 D C -0.314 175.973 176.300 -0.022 0.000 1.035 700 D CA -0.407 53.564 54.000 -0.048 0.000 0.872 700 D CB 1.377 42.157 40.800 -0.033 0.000 1.183 700 D HN -0.261 nan 8.370 nan 0.000 0.445 701 T N 2.095 116.638 114.554 -0.018 0.000 2.851 701 T HA 0.226 4.579 4.350 0.005 0.000 0.298 701 T C 0.539 175.240 174.700 0.002 0.000 0.977 701 T CA -0.305 61.793 62.100 -0.004 0.000 1.126 701 T CB 0.404 69.269 68.868 -0.005 0.000 0.916 701 T HN 0.246 nan 8.240 nan 0.000 0.529 702 M N 3.400 123.006 119.600 0.010 0.000 2.188 702 M HA 0.358 4.841 4.480 0.005 0.000 0.357 702 M C 0.281 176.590 176.300 0.015 0.000 1.204 702 M CA -0.269 55.039 55.300 0.013 0.000 1.095 702 M CB 1.074 33.685 32.600 0.019 0.000 1.604 702 M HN 0.542 nan 8.290 nan 0.000 0.464 703 E N 1.542 121.751 120.200 0.015 0.000 2.227 703 E HA 0.319 4.672 4.350 0.005 0.000 0.268 703 E C -0.891 175.722 176.600 0.022 0.000 0.907 703 E CA -0.630 55.780 56.400 0.016 0.000 0.786 703 E CB 1.671 31.378 29.700 0.011 0.000 1.191 703 E HN 0.571 nan 8.360 nan 0.000 0.411 704 Q N 1.121 120.936 119.800 0.025 0.000 2.481 704 Q HA -0.174 4.169 4.340 0.005 0.000 0.283 704 Q C -0.661 175.367 176.000 0.047 0.000 1.292 704 Q CA 0.348 56.171 55.803 0.033 0.000 0.819 704 Q CB -0.794 27.960 28.738 0.025 0.000 1.202 704 Q HN 0.442 nan 8.270 nan 0.000 0.446 705 M N -0.022 119.606 119.600 0.046 0.000 2.409 705 M HA 0.425 4.908 4.480 0.005 0.000 0.329 705 M C 0.519 176.854 176.300 0.058 0.000 1.180 705 M CA 0.096 55.424 55.300 0.047 0.000 1.053 705 M CB 1.360 33.978 32.600 0.030 0.000 1.586 705 M HN -0.039 nan 8.290 nan 0.000 0.461 706 T N 2.757 117.343 114.554 0.053 0.000 2.840 706 T HA 0.525 4.878 4.350 0.005 0.000 0.287 706 T C -0.890 173.789 174.700 -0.035 0.000 0.991 706 T CA -0.548 61.565 62.100 0.023 0.000 0.964 706 T CB 1.340 70.292 68.868 0.139 0.000 0.954 706 T HN 0.504 nan 8.240 nan 0.000 0.438 707 L N 3.587 124.755 121.223 -0.092 0.000 2.305 707 L HA 0.632 4.975 4.340 0.005 0.000 0.281 707 L C -0.005 176.769 176.870 -0.161 0.000 1.085 707 L CA 0.028 54.805 54.840 -0.106 0.000 0.813 707 L CB 0.758 42.748 42.059 -0.115 0.000 1.157 707 L HN 0.671 nan 8.230 nan 0.000 0.436 708 E N 5.405 125.534 120.200 -0.118 0.000 2.256 708 E HA 0.570 4.923 4.350 0.005 0.000 0.268 708 E C -1.657 174.889 176.600 -0.091 0.000 0.877 708 E CA -0.670 55.659 56.400 -0.119 0.000 0.757 708 E CB 1.417 31.076 29.700 -0.068 0.000 1.183 708 E HN 0.751 nan 8.360 nan 0.000 0.418 709 M N 3.538 123.075 119.600 -0.105 0.000 2.518 709 M HA 0.471 4.953 4.480 0.005 0.000 0.300 709 M C -1.093 175.208 176.300 0.002 0.000 1.175 709 M CA -0.779 54.495 55.300 -0.045 0.000 0.890 709 M CB 2.492 35.048 32.600 -0.073 0.000 1.710 709 M HN 0.385 nan 8.290 nan 0.000 0.453 710 K N 0.472 120.901 120.400 0.048 0.000 2.546 710 K HA 0.716 5.039 4.320 0.005 0.000 0.264 710 K C -1.783 174.848 176.600 0.052 0.000 0.937 710 K CA -0.969 55.353 56.287 0.058 0.000 0.833 710 K CB 1.860 34.373 32.500 0.021 0.000 1.378 710 K HN 0.455 nan 8.250 nan 0.000 0.432 711 V N 2.224 122.177 119.914 0.065 0.000 2.498 711 V HA 0.354 4.477 4.120 0.005 0.000 0.279 711 V C -0.452 175.537 176.094 -0.175 0.000 1.048 711 V CA -0.576 61.715 62.300 -0.015 0.000 0.967 711 V CB 1.235 33.087 31.823 0.048 0.000 0.988 711 V HN 0.565 nan 8.190 nan 0.000 0.473 712 V N 4.143 123.791 119.914 -0.445 0.000 2.638 712 V HA 0.386 4.508 4.120 0.005 0.000 0.306 712 V C -0.388 175.354 176.094 -0.588 0.000 1.052 712 V CA -0.955 61.032 62.300 -0.522 0.000 0.885 712 V CB 2.083 33.524 31.823 -0.637 0.000 0.999 712 V HN 1.040 nan 8.190 nan 0.000 0.424 713 D N 2.820 123.053 120.400 -0.279 0.000 2.414 713 D HA 0.150 4.793 4.640 0.005 0.000 0.251 713 D C 0.650 177.022 176.300 0.120 0.000 1.252 713 D CA -0.343 53.549 54.000 -0.180 0.000 0.999 713 D CB 0.471 41.183 40.800 -0.148 0.000 1.093 713 D HN 0.232 nan 8.370 nan 0.000 0.515 714 F N -0.732 119.262 119.950 0.072 0.000 2.748 714 F HA 0.057 4.586 4.527 0.005 0.000 0.299 714 F C 1.435 177.297 175.800 0.103 0.000 1.154 714 F CA 0.145 58.249 58.000 0.173 0.000 1.446 714 F CB -0.552 38.550 39.000 0.170 0.000 1.112 714 F HN 0.298 nan 8.300 nan 0.000 0.584 715 D N -1.062 119.467 120.400 0.216 0.000 2.367 715 D HA 0.198 4.841 4.640 0.005 0.000 0.207 715 D C 2.167 178.526 176.300 0.098 0.000 1.034 715 D CA 1.100 55.175 54.000 0.124 0.000 0.861 715 D CB 0.696 41.544 40.800 0.079 0.000 0.943 715 D HN 0.357 nan 8.370 nan 0.000 0.515 716 G N 1.249 110.111 108.800 0.103 0.000 2.260 716 G HA2 -0.201 3.762 3.960 0.005 0.000 0.179 716 G HA3 -0.201 3.762 3.960 0.005 0.000 0.179 716 G C 0.332 175.250 174.900 0.031 0.000 1.002 716 G CA -0.394 44.756 45.100 0.083 0.000 0.677 716 G HN 0.230 nan 8.290 nan 0.000 0.486 717 K N 2.076 122.478 120.400 0.004 0.000 2.248 717 K HA 0.498 4.821 4.320 0.005 0.000 0.281 717 K C 0.201 176.771 176.600 -0.050 0.000 1.054 717 K CA -0.181 56.097 56.287 -0.014 0.000 0.903 717 K CB 0.349 32.843 32.500 -0.010 0.000 1.077 717 K HN 0.058 nan 8.250 nan 0.000 0.474 718 T N 4.637 119.168 114.554 -0.039 0.000 2.946 718 T HA 0.047 4.400 4.350 0.005 0.000 0.311 718 T C 0.202 174.875 174.700 -0.045 0.000 1.063 718 T CA 0.136 62.207 62.100 -0.048 0.000 1.139 718 T CB 0.212 69.068 68.868 -0.019 0.000 0.994 718 T HN 0.423 nan 8.240 nan 0.000 0.547 719 L N 3.188 124.382 121.223 -0.049 0.000 2.305 719 L HA 0.574 4.917 4.340 0.005 0.000 0.284 719 L C 1.127 178.009 176.870 0.019 0.000 1.013 719 L CA -0.569 54.253 54.840 -0.031 0.000 0.819 719 L CB 0.873 42.892 42.059 -0.067 0.000 1.227 719 L HN 1.020 nan 8.230 nan 0.000 0.417 720 G N 2.016 110.831 108.800 0.025 0.000 2.598 720 G HA2 -0.153 3.810 3.960 0.005 0.000 0.244 720 G HA3 -0.153 3.810 3.960 0.005 0.000 0.244 720 G C -0.364 174.556 174.900 0.034 0.000 1.302 720 G CA 0.063 45.191 45.100 0.048 0.000 0.903 720 G HN 0.838 nan 8.290 nan 0.000 0.575 721 K N -0.032 120.389 120.400 0.034 0.000 2.211 721 K HA 0.814 5.137 4.320 0.005 0.000 0.237 721 K C 0.537 177.146 176.600 0.016 0.000 1.002 721 K CA 0.147 56.444 56.287 0.016 0.000 0.885 721 K CB 0.633 nan 32.500 nan 0.000 1.136 721 K HN 0.876 nan 8.250 nan 0.000 0.448 722 K N 0.531 120.932 120.400 0.002 0.000 2.436 722 K HA 0.236 4.559 4.320 0.005 0.000 0.275 722 K C -0.329 176.244 176.600 -0.044 0.000 0.999 722 K CA 0.239 56.518 56.287 -0.013 0.000 0.980 722 K CB 0.131 32.623 32.500 -0.014 0.000 0.919 722 K HN 0.514 nan 8.250 nan 0.000 0.484 723 I N 2.761 123.280 120.570 -0.084 0.000 2.377 723 I HA 0.145 4.318 4.170 0.005 0.000 0.293 723 I C -0.267 175.731 176.117 -0.199 0.000 0.987 723 I CA -0.621 60.585 61.300 -0.158 0.000 1.185 723 I CB 1.704 39.553 38.000 -0.251 0.000 1.341 723 I HN 0.438 nan 8.210 nan 0.000 0.455 724 Q N 4.430 124.105 119.800 -0.209 0.000 2.337 724 Q HA 0.620 4.963 4.340 0.005 0.000 0.266 724 Q C -1.392 174.379 176.000 -0.381 0.000 1.023 724 Q CA -0.536 55.070 55.803 -0.329 0.000 0.829 724 Q CB 2.753 31.287 28.738 -0.342 0.000 1.306 724 Q HN 0.456 nan 8.270 nan 0.000 0.449 725 V N 3.722 123.375 119.914 -0.434 0.000 2.409 725 V HA 0.383 4.506 4.120 0.005 0.000 0.290 725 V C -0.387 175.499 176.094 -0.347 0.000 1.017 725 V CA -0.922 61.197 62.300 -0.301 0.000 0.841 725 V CB 0.774 32.519 31.823 -0.132 0.000 1.003 725 V HN 0.787 nan 8.190 nan 0.000 0.426 726 H N 2.038 121.099 119.070 -0.015 0.000 2.497 726 H HA 0.453 5.011 4.556 0.004 0.000 0.348 726 H C 0.983 176.308 175.328 -0.006 0.000 1.335 726 H CA 0.020 56.061 56.048 -0.011 0.000 1.395 726 H CB 1.320 31.076 29.762 -0.011 0.000 1.658 726 H HN 0.707 nan 8.280 nan 0.000 0.613 727 S N -0.615 115.174 115.700 0.148 0.000 3.521 727 S HA -0.168 4.305 4.470 0.005 0.000 0.328 727 S C 0.250 174.876 174.600 0.043 0.000 1.165 727 S CA 0.135 58.380 58.200 0.074 0.000 0.941 727 S CB -1.943 61.295 63.200 0.063 0.000 0.951 727 S HN 0.355 nan 8.310 nan 0.000 0.539 728 L N 1.609 122.854 121.223 0.037 0.000 2.326 728 L HA 0.454 4.797 4.340 0.005 0.000 0.278 728 L C 0.732 177.613 176.870 0.019 0.000 1.092 728 L CA -0.259 54.592 54.840 0.018 0.000 0.810 728 L CB 0.687 42.751 42.059 0.007 0.000 1.153 728 L HN 0.431 nan 8.230 nan 0.000 0.439 729 E N 2.372 122.580 120.200 0.014 0.000 2.202 729 E HA 0.581 4.933 4.350 0.005 0.000 0.272 729 E C -1.397 175.212 176.600 0.014 0.000 0.951 729 E CA -0.896 55.513 56.400 0.014 0.000 0.813 729 E CB 2.148 31.856 29.700 0.012 0.000 1.151 729 E HN 0.244 nan 8.360 nan 0.000 0.398 730 V N 2.968 122.892 119.914 0.016 0.000 2.289 730 V HA 0.329 4.452 4.120 0.005 0.000 0.272 730 V C -2.333 173.773 176.094 0.020 0.000 1.026 730 V CA -1.931 60.381 62.300 0.021 0.000 0.807 730 V CB 0.507 32.344 31.823 0.025 0.000 1.044 730 V HN 0.721 nan 8.190 nan 0.000 0.443 731 P HA 0.180 nan 4.420 nan 0.000 0.270 731 P C 0.190 177.502 177.300 0.020 0.000 1.223 731 P CA 0.142 63.251 63.100 0.016 0.000 0.785 731 P CB 0.615 32.327 31.700 0.018 0.000 0.923 732 A N 2.590 125.415 122.820 0.008 0.000 2.540 732 A HA 0.045 4.368 4.320 0.005 0.000 0.239 732 A C 0.734 178.343 177.584 0.041 0.000 1.061 732 A CA 0.165 52.207 52.037 0.009 0.000 0.758 732 A CB -1.001 17.977 19.000 -0.037 0.000 0.991 732 A HN 0.729 nan 8.150 nan 0.000 0.502 733 N N -0.355 118.395 118.700 0.084 0.000 2.740 733 N HA -0.148 4.595 4.740 0.005 0.000 0.248 733 N C 0.001 175.564 175.510 0.088 0.000 1.062 733 N CA 1.634 54.763 53.050 0.132 0.000 0.704 733 N CB -1.502 37.094 38.487 0.181 0.000 0.968 733 N HN 1.270 nan 8.380 nan 0.000 0.547 734 T N -4.108 110.481 114.554 0.059 0.000 2.906 734 T HA 0.644 4.996 4.350 0.005 0.000 0.295 734 T C -0.295 174.428 174.700 0.039 0.000 1.075 734 T CA -0.695 61.435 62.100 0.049 0.000 1.005 734 T CB 2.693 71.590 68.868 0.049 0.000 1.136 734 T HN 0.043 nan 8.240 nan 0.000 0.498 735 S N 0.866 116.600 115.700 0.055 0.000 2.478 735 S HA 0.647 5.120 4.470 0.005 0.000 0.312 735 S C -1.122 173.590 174.600 0.187 0.000 1.094 735 S CA -0.754 57.506 58.200 0.100 0.000 1.081 735 S CB 0.073 63.297 63.200 0.039 0.000 1.007 735 S HN 0.729 nan 8.310 nan 0.000 0.475 736 K N 2.656 123.178 120.400 0.204 0.000 2.498 736 K HA 0.383 4.705 4.320 0.005 0.000 0.254 736 K C -1.274 175.219 176.600 -0.178 0.000 0.933 736 K CA -0.742 55.593 56.287 0.081 0.000 0.806 736 K CB 1.754 34.265 32.500 0.019 0.000 1.301 736 K HN 0.619 nan 8.250 nan 0.000 0.432 737 C N 2.734 121.709 119.300 -0.541 0.000 2.514 737 C HA 0.293 4.756 4.460 0.005 0.000 0.392 737 C C 1.459 176.246 174.990 -0.337 0.000 1.294 737 C CA -0.213 58.288 59.018 -0.863 0.000 1.957 737 C CB -0.753 26.454 27.740 -0.888 0.000 2.541 737 C HN 0.705 nan 8.230 nan 0.000 0.569 738 V N 3.213 122.991 119.914 -0.226 0.000 3.432 738 V HA 0.413 4.535 4.120 0.005 0.000 0.298 738 V C -0.345 175.765 176.094 0.026 0.000 1.464 738 V CA -0.089 62.165 62.300 -0.077 0.000 1.046 738 V CB -0.825 30.977 31.823 -0.035 0.000 0.887 738 V HN 0.823 nan 8.190 nan 0.000 0.441 739 Y N 0.391 120.594 120.300 -0.162 0.000 2.409 739 Y HA 0.706 5.258 4.550 0.004 0.000 0.321 739 Y C -0.887 174.954 175.900 -0.099 0.000 1.209 739 Y CA -1.042 56.987 58.100 -0.119 0.000 1.086 739 Y CB 1.525 39.926 38.460 -0.098 0.000 1.320 739 Y HN 0.213 nan 8.280 nan 0.000 0.440 740 R N 3.901 123.951 120.500 -0.750 0.000 2.604 740 R HA 0.940 5.282 4.340 0.005 0.000 0.281 740 R C -1.958 173.922 176.300 -0.699 0.000 1.020 740 R CA -0.771 55.038 56.100 -0.486 0.000 0.899 740 R CB 1.907 32.048 30.300 -0.266 0.000 1.205 740 R HN 0.815 nan 8.270 nan 0.000 0.450 741 A N 1.743 124.356 122.820 -0.345 0.000 2.488 741 A HA 0.605 4.927 4.320 0.005 0.000 0.295 741 A C -0.972 176.653 177.584 0.068 0.000 1.045 741 A CA -0.704 51.205 52.037 -0.215 0.000 0.703 741 A CB 1.330 20.154 19.000 -0.294 0.000 1.271 741 A HN 0.772 nan 8.150 nan 0.000 0.400 742 K N 1.459 121.896 120.400 0.062 0.000 2.295 742 K HA 0.571 4.893 4.320 0.005 0.000 0.270 742 K C 0.687 177.437 176.600 0.251 0.000 1.011 742 K CA 0.205 56.567 56.287 0.124 0.000 0.953 742 K CB -0.113 32.425 32.500 0.063 0.000 0.956 742 K HN 0.758 nan 8.250 nan 0.000 0.477 743 L N 0.123 121.474 121.223 0.214 0.000 2.240 743 L HA -0.006 4.337 4.340 0.005 0.000 0.211 743 L C 0.878 177.815 176.870 0.112 0.000 1.106 743 L CA 0.210 55.155 54.840 0.176 0.000 0.793 743 L CB 0.020 42.086 42.059 0.012 0.000 0.927 743 L HN 0.859 nan 8.230 nan 0.000 0.446 744 D N 0.320 120.772 120.400 0.087 0.000 2.401 744 D HA 0.296 4.939 4.640 0.005 0.000 0.254 744 D C 1.048 177.398 176.300 0.083 0.000 1.192 744 D CA 1.225 55.259 54.000 0.057 0.000 0.885 744 D CB 0.734 41.556 40.800 0.036 0.000 1.147 744 D HN 0.301 nan 8.370 nan 0.000 0.478 745 G N 3.160 112.003 108.800 0.073 0.000 2.175 745 G HA2 -0.294 3.669 3.960 0.005 0.000 0.244 745 G HA3 -0.294 3.669 3.960 0.005 0.000 0.244 745 G C 0.484 175.481 174.900 0.161 0.000 0.982 745 G CA 0.375 45.525 45.100 0.082 0.000 0.641 745 G HN 0.549 nan 8.290 nan 0.000 0.527 746 W N -0.266 121.001 121.300 -0.055 0.000 3.412 746 W HA 0.689 5.352 4.660 0.005 0.000 0.236 746 W C -0.396 176.059 176.519 -0.107 0.000 1.030 746 W CA 0.287 57.594 57.345 -0.064 0.000 1.850 746 W CB 0.194 29.625 29.460 -0.047 0.000 0.979 746 W HN 0.122 nan 8.180 nan 0.000 0.716 747 L N 1.650 122.743 121.223 -0.217 0.000 2.408 747 L HA 0.361 4.704 4.340 0.005 0.000 0.268 747 L C 0.591 177.306 176.870 -0.258 0.000 0.986 747 L CA -0.771 53.819 54.840 -0.416 0.000 0.820 747 L CB 1.275 42.808 42.059 -0.876 0.000 1.303 747 L HN 0.014 nan 8.230 nan 0.000 0.411 748 T N -0.491 113.941 114.554 -0.204 0.000 2.868 748 T HA 0.351 4.704 4.350 0.005 0.000 0.292 748 T C -1.903 172.701 174.700 -0.160 0.000 1.028 748 T CA -1.422 60.593 62.100 -0.142 0.000 1.059 748 T CB 1.006 69.812 68.868 -0.102 0.000 0.991 748 T HN 0.436 nan 8.240 nan 0.000 0.531 749 P HA -0.050 nan 4.420 nan 0.000 0.220 749 P C 1.524 178.769 177.300 -0.091 0.000 1.144 749 P CA 0.675 63.720 63.100 -0.091 0.000 0.800 749 P CB 0.058 31.724 31.700 -0.057 0.000 0.772 750 E N -1.156 118.985 120.200 -0.099 0.000 2.122 750 E HA -0.102 4.251 4.350 0.005 0.000 0.190 750 E C 1.674 178.194 176.600 -0.134 0.000 0.977 750 E CA 0.888 57.232 56.400 -0.094 0.000 0.820 750 E CB -1.073 28.581 29.700 -0.077 0.000 0.770 750 E HN 0.430 nan 8.360 nan 0.000 0.462 751 D N 0.143 120.437 120.400 -0.177 0.000 2.149 751 D HA -0.121 4.522 4.640 0.005 0.000 0.198 751 D C 2.087 178.243 176.300 -0.240 0.000 0.990 751 D CA 1.252 55.110 54.000 -0.237 0.000 0.839 751 D CB -0.469 40.151 40.800 -0.300 0.000 0.948 751 D HN 0.348 nan 8.370 nan 0.000 0.460 752 C N 0.622 119.785 119.300 -0.229 0.000 2.435 752 C HA -0.019 4.444 4.460 0.005 0.000 0.279 752 C C 2.464 177.494 174.990 0.066 0.000 1.321 752 C CA 0.136 59.088 59.018 -0.109 0.000 1.752 752 C CB -0.815 26.841 27.740 -0.140 0.000 1.959 752 C HN 0.322 nan 8.230 nan 0.000 0.500 753 R N 0.147 120.643 120.500 -0.007 0.000 2.276 753 R HA 0.044 4.386 4.340 0.005 0.000 0.203 753 R C 1.710 177.975 176.300 -0.060 0.000 1.017 753 R CA 0.644 56.763 56.100 0.032 0.000 1.010 753 R CB -0.019 30.284 30.300 0.006 0.000 0.900 753 R HN 0.581 nan 8.270 nan 0.000 0.469 754 R N -0.697 119.622 120.500 -0.301 0.000 2.541 754 R HA 0.122 4.465 4.340 0.005 0.000 0.332 754 R C -0.094 175.373 176.300 -1.388 0.000 0.951 754 R CA 0.089 55.691 56.100 -0.830 0.000 1.136 754 R CB 1.287 31.325 30.300 -0.437 0.000 1.449 754 R HN 0.049 nan 8.270 nan 0.000 0.531 755 S N -0.186 115.129 115.700 -0.642 0.000 2.720 755 S HA 0.746 5.219 4.470 0.005 0.000 0.287 755 S C -0.807 173.977 174.600 0.306 0.000 1.168 755 S CA -0.927 57.134 58.200 -0.232 0.000 0.832 755 S CB 1.628 64.694 63.200 -0.222 0.000 1.166 755 S HN 0.163 nan 8.310 nan 0.000 0.493 756 F N -1.191 118.837 119.950 0.131 0.000 2.645 756 F HA 0.826 5.355 4.527 0.005 0.000 0.310 756 F C -1.561 174.158 175.800 -0.134 0.000 1.102 756 F CA -1.431 56.428 58.000 -0.236 0.000 0.952 756 F CB 0.981 39.536 39.000 -0.742 0.000 1.326 756 F HN 0.601 nan 8.300 nan 0.000 0.456 757 L N 2.953 124.142 121.223 -0.057 0.000 2.264 757 L HA 0.495 4.837 4.340 0.005 0.000 0.289 757 L C -0.404 176.560 176.870 0.156 0.000 1.044 757 L CA -0.292 54.600 54.840 0.087 0.000 0.807 757 L CB 0.975 43.109 42.059 0.124 0.000 1.192 757 L HN 0.753 nan 8.230 nan 0.000 0.425 758 K N 4.266 124.770 120.400 0.173 0.000 2.172 758 K HA 0.716 5.039 4.320 0.005 0.000 0.276 758 K C -1.571 175.078 176.600 0.082 0.000 1.013 758 K CA -0.437 55.949 56.287 0.165 0.000 0.913 758 K CB 0.739 33.350 32.500 0.185 0.000 1.055 758 K HN 0.538 nan 8.250 nan 0.000 0.461 759 L N 5.915 127.170 121.223 0.053 0.000 2.438 759 L HA 0.545 4.888 4.340 0.005 0.000 0.270 759 L C -0.645 176.232 176.870 0.013 0.000 0.972 759 L CA -0.608 54.243 54.840 0.018 0.000 0.831 759 L CB 1.617 43.683 42.059 0.012 0.000 1.273 759 L HN 0.555 nan 8.230 nan 0.000 0.405 760 I N 0.298 120.867 120.570 -0.002 0.000 2.730 760 I HA 0.757 4.930 4.170 0.005 0.000 0.298 760 I C -1.677 174.436 176.117 -0.008 0.000 1.089 760 I CA -1.104 60.198 61.300 0.002 0.000 1.041 760 I CB 2.516 40.520 38.000 0.007 0.000 1.235 760 I HN 0.498 nan 8.210 nan 0.000 0.423 761 L N 5.152 126.378 121.223 0.005 0.000 2.341 761 L HA 0.644 4.987 4.340 0.005 0.000 0.278 761 L C -0.963 175.921 176.870 0.022 0.000 1.005 761 L CA 0.021 54.865 54.840 0.007 0.000 0.818 761 L CB 1.556 43.623 42.059 0.013 0.000 1.259 761 L HN 0.798 nan 8.230 nan 0.000 0.418 762 K N 1.877 122.293 120.400 0.027 0.000 2.469 762 K HA 0.610 4.933 4.320 0.005 0.000 0.254 762 K C -1.328 175.306 176.600 0.057 0.000 0.939 762 K CA -1.017 55.297 56.287 0.045 0.000 0.812 762 K CB 1.681 34.202 32.500 0.035 0.000 1.301 762 K HN 0.544 nan 8.250 nan 0.000 0.433 763 D N 0.797 121.243 120.400 0.077 0.000 2.372 763 D HA -0.018 4.624 4.640 0.005 0.000 0.243 763 D C 0.876 177.222 176.300 0.076 0.000 1.297 763 D CA -0.405 53.641 54.000 0.077 0.000 0.958 763 D CB 0.582 41.433 40.800 0.085 0.000 1.114 763 D HN 0.341 nan 8.370 nan 0.000 0.496 764 K N -0.237 120.202 120.400 0.065 0.000 2.059 764 K HA -0.155 4.168 4.320 0.005 0.000 0.212 764 K C 1.898 178.527 176.600 0.049 0.000 1.050 764 K CA 1.840 58.156 56.287 0.049 0.000 0.927 764 K CB -0.937 31.584 32.500 0.034 0.000 0.714 764 K HN 0.629 nan 8.250 nan 0.000 0.447 765 S N -1.061 114.692 115.700 0.088 0.000 2.603 765 S HA 0.102 4.575 4.470 0.005 0.000 0.229 765 S C 1.214 175.804 174.600 -0.017 0.000 0.972 765 S CA 0.768 59.019 58.200 0.086 0.000 0.935 765 S CB -0.181 63.137 63.200 0.197 0.000 0.769 765 S HN 0.450 nan 8.310 nan 0.000 0.536 766 G N 0.704 109.496 108.800 -0.012 0.000 2.143 766 G HA2 -0.243 3.720 3.960 0.005 0.000 0.249 766 G HA3 -0.243 3.720 3.960 0.005 0.000 0.249 766 G C -0.263 174.538 174.900 -0.164 0.000 0.981 766 G CA 0.030 45.080 45.100 -0.084 0.000 0.665 766 G HN 0.715 nan 8.290 nan 0.000 0.528 767 H N 0.439 119.517 119.070 0.013 0.000 2.742 767 H HA 0.453 5.012 4.556 0.005 0.000 0.302 767 H C 0.694 176.030 175.328 0.013 0.000 1.069 767 H CA 0.099 56.154 56.048 0.012 0.000 1.446 767 H CB 0.842 30.610 29.762 0.010 0.000 1.462 767 H HN 0.411 nan 8.280 nan 0.000 0.499 768 Q N 3.077 122.934 119.800 0.095 0.000 2.255 768 Q HA 0.050 4.393 4.340 0.005 0.000 0.280 768 Q C 0.852 176.893 176.000 0.069 0.000 1.068 768 Q CA -0.223 55.617 55.803 0.062 0.000 0.911 768 Q CB 0.654 29.415 28.738 0.039 0.000 1.157 768 Q HN 0.741 nan 8.270 nan 0.000 0.380 769 V N 1.086 121.032 119.914 0.054 0.000 3.621 769 V HA 0.630 4.753 4.120 0.005 0.000 0.263 769 V C 0.050 176.166 176.094 0.037 0.000 1.272 769 V CA 0.788 63.116 62.300 0.047 0.000 1.080 769 V CB 0.469 32.318 31.823 0.045 0.000 0.816 769 V HN 0.648 nan 8.190 nan 0.000 0.451 770 A N 0.712 123.552 122.820 0.032 0.000 2.604 770 A HA 0.799 5.122 4.320 0.005 0.000 0.295 770 A C -1.012 176.585 177.584 0.022 0.000 1.067 770 A CA -0.232 51.822 52.037 0.028 0.000 0.683 770 A CB 1.446 20.463 19.000 0.028 0.000 1.281 770 A HN 0.713 nan 8.150 nan 0.000 0.407 771 E N -0.086 120.126 120.200 0.021 0.000 2.413 771 E HA 0.783 5.136 4.350 0.005 0.000 0.277 771 E C -0.882 175.730 176.600 0.020 0.000 0.958 771 E CA -0.794 55.617 56.400 0.018 0.000 0.779 771 E CB 2.059 31.769 29.700 0.016 0.000 1.278 771 E HN 0.744 nan 8.360 nan 0.000 0.456 772 S N 0.685 116.398 115.700 0.022 0.000 2.556 772 S HA 0.557 5.030 4.470 0.005 0.000 0.271 772 S C -1.487 173.127 174.600 0.023 0.000 1.135 772 S CA -0.623 57.592 58.200 0.025 0.000 0.858 772 S CB 1.773 64.990 63.200 0.030 0.000 1.114 772 S HN 0.435 nan 8.310 nan 0.000 0.468 773 V N 3.435 123.354 119.914 0.008 0.000 2.581 773 V HA 0.558 4.681 4.120 0.005 0.000 0.303 773 V C -0.740 175.335 176.094 -0.032 0.000 1.041 773 V CA -0.658 61.609 62.300 -0.054 0.000 0.907 773 V CB 1.483 33.196 31.823 -0.183 0.000 0.994 773 V HN 0.976 nan 8.190 nan 0.000 0.442 774 H N 3.261 122.175 119.070 -0.259 0.000 2.589 774 H HA 0.673 5.232 4.556 0.005 0.000 0.351 774 H C -1.577 173.381 175.328 -0.617 0.000 1.074 774 H CA -0.653 55.211 56.048 -0.306 0.000 1.203 774 H CB 1.285 30.889 29.762 -0.262 0.000 1.558 774 H HN 0.449 nan 8.280 nan 0.000 0.522 775 F N 4.553 123.992 119.950 -0.852 0.000 2.450 775 F HA 0.246 4.776 4.527 0.005 0.000 0.332 775 F C 0.159 175.414 175.800 -0.909 0.000 1.093 775 F CA -0.639 56.967 58.000 -0.657 0.000 1.003 775 F CB 1.026 39.872 39.000 -0.256 0.000 1.151 775 F HN 0.564 nan 8.300 nan 0.000 0.474 776 F N 0.554 120.452 119.950 -0.087 0.000 2.698 776 F HA 0.240 4.770 4.527 0.005 0.000 0.295 776 F C 0.983 176.774 175.800 -0.014 0.000 1.124 776 F CA 0.167 58.130 58.000 -0.062 0.000 1.426 776 F CB -0.073 38.900 39.000 -0.045 0.000 1.120 776 F HN 0.147 nan 8.300 nan 0.000 0.583 777 R N 0.337 120.937 120.500 0.166 0.000 2.888 777 R HA 0.391 4.733 4.340 0.005 0.000 0.266 777 R C -0.291 175.999 176.300 -0.017 0.000 1.020 777 R CA -1.066 55.080 56.100 0.076 0.000 0.963 777 R CB 1.128 31.481 30.300 0.088 0.000 1.197 777 R HN -0.002 nan 8.270 nan 0.000 0.481 778 K N 0.254 120.607 120.400 -0.079 0.000 2.414 778 K HA 0.063 4.386 4.320 0.005 0.000 0.272 778 K C 1.029 177.499 176.600 -0.218 0.000 0.993 778 K CA 0.131 56.304 56.287 -0.191 0.000 0.964 778 K CB 0.414 32.791 32.500 -0.205 0.000 0.925 778 K HN 0.422 nan 8.250 nan 0.000 0.487 779 T N 2.181 116.512 114.554 -0.371 0.000 2.699 779 T HA -0.216 4.137 4.350 0.005 0.000 0.268 779 T C 1.571 176.154 174.700 -0.195 0.000 1.036 779 T CA 1.862 63.766 62.100 -0.327 0.000 1.147 779 T CB -0.149 68.461 68.868 -0.430 0.000 0.862 779 T HN 0.651 nan 8.240 nan 0.000 0.446 780 K N 0.963 121.213 120.400 -0.250 0.000 2.280 780 K HA -0.102 4.221 4.320 0.005 0.000 0.202 780 K C 1.167 177.698 176.600 -0.114 0.000 1.047 780 K CA 1.567 57.752 56.287 -0.170 0.000 0.942 780 K CB -0.045 32.352 32.500 -0.173 0.000 0.739 780 K HN 0.195 nan 8.250 nan 0.000 0.457 781 D N 0.937 121.287 120.400 -0.083 0.000 2.354 781 D HA 0.112 4.755 4.640 0.005 0.000 0.209 781 D C 0.476 176.796 176.300 0.033 0.000 1.015 781 D CA 0.186 54.167 54.000 -0.031 0.000 0.867 781 D CB 0.131 40.913 40.800 -0.031 0.000 0.933 781 D HN 0.164 nan 8.370 nan 0.000 0.520 782 L N 1.083 122.347 121.223 0.068 0.000 2.416 782 L HA 0.098 4.441 4.340 0.005 0.000 0.272 782 L C 0.659 177.671 176.870 0.236 0.000 1.161 782 L CA -0.069 54.892 54.840 0.202 0.000 0.845 782 L CB 0.482 42.675 42.059 0.223 0.000 1.119 782 L HN -0.323 nan 8.230 nan 0.000 0.464 783 Q N 3.249 123.225 119.800 0.293 0.000 3.027 783 Q HA 0.284 4.627 4.340 0.005 0.000 0.260 783 Q C -0.768 175.476 176.000 0.405 0.000 1.379 783 Q CA 0.095 56.056 55.803 0.265 0.000 1.038 783 Q CB -0.012 28.814 28.738 0.147 0.000 1.578 783 Q HN 0.419 nan 8.270 nan 0.000 0.571 784 L N 3.860 125.284 121.223 0.336 0.000 2.477 784 L HA 0.209 4.552 4.340 0.005 0.000 0.272 784 L C -1.804 175.182 176.870 0.193 0.000 1.157 784 L CA -1.702 53.280 54.840 0.236 0.000 0.889 784 L CB -0.004 42.124 42.059 0.115 0.000 1.158 784 L HN 0.292 nan 8.230 nan 0.000 0.473 785 P HA 0.230 nan 4.420 nan 0.000 0.275 785 P C -2.581 174.763 177.300 0.073 0.000 1.228 785 P CA -1.675 61.503 63.100 0.130 0.000 0.786 785 P CB -0.008 31.773 31.700 0.136 0.000 0.927 786 P HA 0.236 nan 4.420 nan 0.000 0.268 786 P C -0.214 177.111 177.300 0.042 0.000 1.205 786 P CA 0.497 63.617 63.100 0.034 0.000 0.771 786 P CB 0.417 32.126 31.700 0.015 0.000 0.858 787 T N 0.797 115.393 114.554 0.069 0.000 2.830 787 T HA 0.454 4.807 4.350 0.005 0.000 0.322 787 T C -1.563 173.158 174.700 0.035 0.000 1.501 787 T CA -0.495 61.612 62.100 0.012 0.000 1.036 787 T CB 0.767 69.584 68.868 -0.084 0.000 1.379 787 T HN 0.122 nan 8.240 nan 0.000 0.493 788 S N 1.849 117.536 115.700 -0.022 0.000 2.530 788 S HA 0.622 5.095 4.470 0.005 0.000 0.322 788 S C -0.594 173.973 174.600 -0.055 0.000 1.085 788 S CA -0.505 57.696 58.200 0.003 0.000 1.096 788 S CB 0.594 63.805 63.200 0.018 0.000 0.988 788 S HN 0.600 nan 8.310 nan 0.000 0.466 789 V N 5.927 125.810 119.914 -0.053 0.000 2.405 789 V HA 0.335 4.457 4.120 0.005 0.000 0.264 789 V C 0.612 176.755 176.094 0.082 0.000 1.048 789 V CA -0.353 61.921 62.300 -0.043 0.000 0.966 789 V CB 0.498 32.271 31.823 -0.083 0.000 1.015 789 V HN 0.937 nan 8.190 nan 0.000 0.477 790 S N 5.588 121.357 115.700 0.116 0.000 2.690 790 S HA 0.865 5.338 4.470 0.005 0.000 0.291 790 S C -0.826 173.912 174.600 0.230 0.000 1.138 790 S CA -0.667 57.613 58.200 0.134 0.000 1.013 790 S CB 1.637 64.897 63.200 0.100 0.000 1.053 790 S HN 0.786 nan 8.310 nan 0.000 0.539 791 Y N -1.509 118.810 120.300 0.031 0.000 2.544 791 Y HA 0.709 5.262 4.550 0.005 0.000 0.342 791 Y C -0.927 174.979 175.900 0.010 0.000 1.062 791 Y CA -1.252 56.864 58.100 0.026 0.000 1.023 791 Y CB 0.872 39.335 38.460 0.005 0.000 1.308 791 Y HN 0.612 nan 8.280 nan 0.000 0.457 792 Q N 3.046 122.912 119.800 0.109 0.000 2.214 792 Q HA 0.609 4.952 4.340 0.005 0.000 0.251 792 Q C -1.162 174.937 176.000 0.165 0.000 0.936 792 Q CA -0.962 54.867 55.803 0.045 0.000 0.894 792 Q CB 2.279 31.027 28.738 0.017 0.000 1.252 792 Q HN 0.839 nan 8.270 nan 0.000 0.448 793 M N 1.804 121.471 119.600 0.111 0.000 2.327 793 M HA 0.383 4.866 4.480 0.005 0.000 0.298 793 M C -1.837 174.491 176.300 0.047 0.000 1.065 793 M CA -0.442 54.930 55.300 0.121 0.000 0.916 793 M CB 1.314 34.024 32.600 0.182 0.000 1.630 793 M HN 0.374 nan 8.290 nan 0.000 0.442 794 K N 4.538 124.955 120.400 0.029 0.000 2.507 794 K HA 0.376 4.699 4.320 0.005 0.000 0.253 794 K C -1.670 174.929 176.600 -0.002 0.000 0.969 794 K CA -0.369 55.923 56.287 0.008 0.000 0.908 794 K CB 1.447 33.950 32.500 0.004 0.000 1.127 794 K HN 0.874 nan 8.250 nan 0.000 0.437 795 Q N 3.135 122.932 119.800 -0.005 0.000 2.316 795 Q HA 0.339 4.682 4.340 0.005 0.000 0.264 795 Q C -1.035 174.955 176.000 -0.016 0.000 0.987 795 Q CA -0.483 55.312 55.803 -0.014 0.000 0.852 795 Q CB 1.783 30.514 28.738 -0.012 0.000 1.287 795 Q HN 0.820 nan 8.270 nan 0.000 0.448 796 T N -0.495 114.046 114.554 -0.022 0.000 2.716 796 T HA 0.363 4.716 4.350 0.005 0.000 0.286 796 T C -0.707 173.979 174.700 -0.023 0.000 1.052 796 T CA -0.943 61.145 62.100 -0.019 0.000 1.024 796 T CB 1.037 69.895 68.868 -0.017 0.000 1.349 796 T HN 0.424 nan 8.240 nan 0.000 0.525 797 D N 0.363 120.752 120.400 -0.019 0.000 2.417 797 D HA 0.451 5.094 4.640 0.005 0.000 0.250 797 D C 1.518 177.803 176.300 -0.025 0.000 1.166 797 D CA 1.730 55.718 54.000 -0.020 0.000 0.881 797 D CB 0.558 41.350 40.800 -0.014 0.000 1.164 797 D HN 1.162 nan 8.370 nan 0.000 0.467 798 G N 2.381 111.162 108.800 -0.031 0.000 2.179 798 G HA2 -0.307 3.656 3.960 0.005 0.000 0.260 798 G HA3 -0.307 3.656 3.960 0.005 0.000 0.260 798 G C 0.465 175.333 174.900 -0.053 0.000 0.977 798 G CA 0.672 45.750 45.100 -0.038 0.000 0.641 798 G HN 0.620 nan 8.290 nan 0.000 0.533 799 K N -0.698 119.669 120.400 -0.054 0.000 2.561 799 K HA 0.576 4.899 4.320 0.005 0.000 0.254 799 K C -1.004 175.558 176.600 -0.063 0.000 0.942 799 K CA -0.552 55.697 56.287 -0.063 0.000 0.818 799 K CB 1.176 33.648 32.500 -0.048 0.000 1.306 799 K HN 0.229 nan 8.250 nan 0.000 0.435 800 C N 2.955 122.205 119.300 -0.083 0.000 2.369 800 C HA 0.451 4.914 4.460 0.005 0.000 0.322 800 C C -0.726 174.228 174.990 -0.059 0.000 1.258 800 C CA -0.838 58.140 59.018 -0.067 0.000 1.487 800 C CB 0.911 28.601 27.740 -0.082 0.000 2.165 800 C HN 0.797 nan 8.230 nan 0.000 0.483 801 E N 2.070 122.252 120.200 -0.029 0.000 2.134 801 E HA 0.533 4.886 4.350 0.005 0.000 0.278 801 E C -1.134 175.471 176.600 0.009 0.000 0.959 801 E CA -0.406 55.985 56.400 -0.015 0.000 0.783 801 E CB 1.101 30.797 29.700 -0.008 0.000 1.095 801 E HN 0.409 nan 8.360 nan 0.000 0.399 802 L N 2.392 123.623 121.223 0.013 0.000 2.325 802 L HA 0.391 4.734 4.340 0.005 0.000 0.278 802 L C -0.035 176.876 176.870 0.069 0.000 1.023 802 L CA -0.305 54.567 54.840 0.054 0.000 0.811 802 L CB 2.006 44.062 42.059 -0.005 0.000 1.249 802 L HN 0.406 nan 8.230 nan 0.000 0.431 803 T N 3.802 118.422 114.554 0.111 0.000 2.809 803 T HA 0.726 5.079 4.350 0.005 0.000 0.284 803 T C -0.489 174.307 174.700 0.161 0.000 0.992 803 T CA -0.409 61.754 62.100 0.104 0.000 0.957 803 T CB 0.804 69.716 68.868 0.073 0.000 0.942 803 T HN 0.135 nan 8.240 nan 0.000 0.439 804 L N 3.367 124.687 121.223 0.161 0.000 2.330 804 L HA 0.827 5.170 4.340 0.005 0.000 0.271 804 L C -0.739 176.274 176.870 0.238 0.000 1.013 804 L CA -0.849 54.107 54.840 0.193 0.000 0.816 804 L CB 1.378 43.526 42.059 0.147 0.000 1.287 804 L HN 0.649 nan 8.230 nan 0.000 0.435 805 F N 1.042 121.022 119.950 0.051 0.000 2.622 805 F HA 0.654 5.184 4.527 0.005 0.000 0.318 805 F C -0.929 174.875 175.800 0.008 0.000 1.135 805 F CA -0.247 57.769 58.000 0.027 0.000 1.015 805 F CB 1.954 40.967 39.000 0.021 0.000 1.275 805 F HN 0.392 nan 8.300 nan 0.000 0.457 806 S N 2.827 118.013 115.700 -0.856 0.000 2.575 806 S HA 0.399 4.871 4.470 0.005 0.000 0.278 806 S C 0.378 174.403 174.600 -0.958 0.000 1.139 806 S CA 0.029 57.788 58.200 -0.735 0.000 0.954 806 S CB 1.441 64.407 63.200 -0.390 0.000 1.054 806 S HN 0.998 nan 8.310 nan 0.000 0.483 807 S N 4.565 119.847 115.700 -0.697 0.000 2.423 807 S HA 0.124 4.597 4.470 0.005 0.000 0.231 807 S C 0.732 175.233 174.600 -0.166 0.000 1.014 807 S CA 0.577 58.569 58.200 -0.347 0.000 0.965 807 S CB -0.465 62.703 63.200 -0.053 0.000 0.785 807 S HN 0.691 nan 8.310 nan 0.000 0.495 808 M N 0.793 120.301 119.600 -0.154 0.000 2.644 808 M HA 0.491 4.974 4.480 0.005 0.000 0.316 808 M C -0.670 175.567 176.300 -0.105 0.000 1.200 808 M CA -1.110 54.157 55.300 -0.055 0.000 0.944 808 M CB 1.643 34.239 32.600 -0.007 0.000 1.691 808 M HN 0.155 nan 8.290 nan 0.000 0.471 809 L N 2.209 123.412 121.223 -0.033 0.000 2.578 809 L HA 0.275 4.618 4.340 0.005 0.000 0.279 809 L C -0.509 176.212 176.870 -0.248 0.000 1.227 809 L CA 0.606 55.365 54.840 -0.135 0.000 0.900 809 L CB 0.150 42.097 42.059 -0.187 0.000 1.144 809 L HN 0.736 nan 8.230 nan 0.000 0.496 810 A N 5.148 127.791 122.820 -0.294 0.000 2.304 810 A HA 0.586 4.908 4.320 0.005 0.000 0.314 810 A C -0.544 176.892 177.584 -0.248 0.000 1.187 810 A CA -0.817 50.973 52.037 -0.413 0.000 0.810 810 A CB 0.783 19.400 19.000 -0.639 0.000 1.183 810 A HN 0.671 nan 8.150 nan 0.000 0.487 811 K N 2.197 122.504 120.400 -0.155 0.000 2.234 811 K HA 0.318 4.641 4.320 0.005 0.000 0.282 811 K C -0.399 176.160 176.600 -0.068 0.000 1.039 811 K CA 0.049 56.239 56.287 -0.162 0.000 0.928 811 K CB 0.296 32.685 32.500 -0.185 0.000 1.039 811 K HN 0.683 nan 8.250 nan 0.000 0.470 812 D N 2.950 123.287 120.400 -0.105 0.000 2.735 812 D HA -0.239 4.404 4.640 0.005 0.000 0.235 812 D C 0.026 176.318 176.300 -0.015 0.000 1.175 812 D CA 1.036 55.011 54.000 -0.041 0.000 0.683 812 D CB -1.136 39.655 40.800 -0.016 0.000 1.008 812 D HN 0.630 nan 8.370 nan 0.000 0.416 813 I N -2.306 118.103 120.570 -0.267 0.000 2.692 813 I HA 0.323 4.496 4.170 0.005 0.000 0.284 813 I C -0.097 175.722 176.117 -0.496 0.000 1.159 813 I CA -0.308 60.772 61.300 -0.368 0.000 1.423 813 I CB 0.552 38.243 38.000 -0.514 0.000 1.380 813 I HN -0.107 nan 8.210 nan 0.000 0.580 814 F N 7.879 127.424 119.950 -0.675 0.000 2.403 814 F HA 0.589 5.119 4.527 0.005 0.000 0.355 814 F C -0.676 174.710 175.800 -0.691 0.000 1.119 814 F CA -1.948 55.490 58.000 -0.936 0.000 1.007 814 F CB 0.883 39.425 39.000 -0.763 0.000 1.194 814 F HN 0.372 nan 8.300 nan 0.000 0.443 815 I N 5.557 125.696 120.570 -0.719 0.000 2.308 815 I HA 0.205 4.378 4.170 0.005 0.000 0.293 815 I C -0.005 175.603 176.117 -0.847 0.000 1.078 815 I CA -0.005 60.917 61.300 -0.630 0.000 1.292 815 I CB 0.593 38.429 38.000 -0.273 0.000 1.423 815 I HN 0.544 nan 8.210 nan 0.000 0.493 816 E N 6.037 125.652 120.200 -0.976 0.000 2.151 816 E HA 0.468 4.821 4.350 0.005 0.000 0.275 816 E C -0.787 175.587 176.600 -0.376 0.000 0.936 816 E CA -0.565 55.270 56.400 -0.941 0.000 0.777 816 E CB 1.246 30.270 29.700 -1.127 0.000 1.108 816 E HN 0.646 nan 8.360 nan 0.000 0.401 817 T N 1.270 115.720 114.554 -0.172 0.000 2.893 817 T HA 0.444 4.797 4.350 0.005 0.000 0.291 817 T C -2.237 172.430 174.700 -0.056 0.000 1.028 817 T CA -1.889 60.150 62.100 -0.101 0.000 0.995 817 T CB 1.715 70.533 68.868 -0.085 0.000 1.051 817 T HN 0.231 nan 8.240 nan 0.000 0.470 818 P HA 0.208 nan 4.420 nan 0.000 0.245 818 P C 0.399 177.683 177.300 -0.028 0.000 1.206 818 P CA -0.171 62.907 63.100 -0.035 0.000 0.781 818 P CB 0.112 31.792 31.700 -0.034 0.000 0.994 819 L N 1.396 122.601 121.223 -0.030 0.000 2.530 819 L HA 0.023 4.365 4.340 0.005 0.000 0.273 819 L C 0.715 177.581 176.870 -0.006 0.000 1.141 819 L CA -0.030 54.793 54.840 -0.028 0.000 0.905 819 L CB 0.077 42.107 42.059 -0.049 0.000 1.202 819 L HN 0.018 nan 8.230 nan 0.000 0.473 820 Q N 2.765 122.554 119.800 -0.017 0.000 2.337 820 Q HA 0.088 4.431 4.340 0.005 0.000 0.270 820 Q C 1.127 177.151 176.000 0.040 0.000 1.002 820 Q CA 0.862 56.663 55.803 -0.004 0.000 0.888 820 Q CB 1.050 29.744 28.738 -0.074 0.000 1.222 820 Q HN 0.899 nan 8.270 nan 0.000 0.400 821 G N 1.641 110.494 108.800 0.088 0.000 2.166 821 G HA2 -0.321 3.642 3.960 0.005 0.000 0.260 821 G HA3 -0.321 3.642 3.960 0.005 0.000 0.260 821 G C 0.393 175.317 174.900 0.041 0.000 0.986 821 G CA 0.260 45.409 45.100 0.082 0.000 0.683 821 G HN 0.902 nan 8.290 nan 0.000 0.527 822 A N -0.016 122.822 122.820 0.030 0.000 2.540 822 A HA 0.581 4.904 4.320 0.005 0.000 0.239 822 A C 0.895 178.447 177.584 -0.052 0.000 1.061 822 A CA 0.466 52.463 52.037 -0.067 0.000 0.758 822 A CB 0.218 19.129 19.000 -0.149 0.000 0.991 822 A HN 0.580 nan 8.150 nan 0.000 0.502 823 R N 0.819 121.226 120.500 -0.154 0.000 2.540 823 R HA 0.543 4.886 4.340 0.005 0.000 0.287 823 R C -1.538 174.655 176.300 -0.179 0.000 0.980 823 R CA -0.217 55.801 56.100 -0.137 0.000 0.966 823 R CB 1.270 31.467 30.300 -0.171 0.000 1.106 823 R HN 0.763 nan 8.270 nan 0.000 0.480 824 Y N -0.511 119.702 120.300 -0.145 0.000 2.425 824 Y HA 0.072 4.625 4.550 0.005 0.000 0.344 824 Y C 1.447 177.328 175.900 -0.031 0.000 0.969 824 Y CA -0.718 57.358 58.100 -0.041 0.000 1.052 824 Y CB 2.297 40.784 38.460 0.045 0.000 1.215 824 Y HN 0.733 nan 8.280 nan 0.000 0.451 825 S N -0.190 115.581 115.700 0.117 0.000 2.400 825 S HA -0.103 4.370 4.470 0.005 0.000 0.232 825 S C 0.117 174.810 174.600 0.155 0.000 1.025 825 S CA 1.560 59.810 58.200 0.084 0.000 0.993 825 S CB 0.032 63.252 63.200 0.033 0.000 0.808 825 S HN 0.750 nan 8.310 nan 0.000 0.478 826 D N -0.740 119.782 120.400 0.202 0.000 2.648 826 D HA 0.604 5.247 4.640 0.005 0.000 0.244 826 D C -1.705 174.642 176.300 0.079 0.000 1.244 826 D CA -0.452 53.649 54.000 0.169 0.000 0.772 826 D CB 1.751 42.543 40.800 -0.014 0.000 1.379 826 D HN 0.094 nan 8.370 nan 0.000 0.428 827 N N 0.367 118.925 118.700 -0.235 0.000 3.322 827 N HA 0.304 5.047 4.740 0.005 0.000 0.233 827 N C -1.257 173.956 175.510 -0.496 0.000 1.399 827 N CA -0.431 52.270 53.050 -0.583 0.000 0.894 827 N CB 0.656 38.469 38.487 -1.123 0.000 1.440 827 N HN 0.442 nan 8.380 nan 0.000 0.503 828 F N -0.155 119.478 119.950 -0.529 0.000 2.983 828 F HA -0.210 4.319 4.527 0.005 0.000 0.288 828 F C -0.477 175.205 175.800 -0.197 0.000 0.980 828 F CA 0.764 58.553 58.000 -0.352 0.000 0.965 828 F CB -1.820 37.012 39.000 -0.280 0.000 0.967 828 F HN 0.355 nan 8.300 nan 0.000 0.800 829 F N -2.224 117.693 119.950 -0.056 0.000 2.640 829 F HA 0.795 5.325 4.527 0.005 0.000 0.324 829 F C -0.219 175.540 175.800 -0.069 0.000 1.077 829 F CA -1.869 56.100 58.000 -0.052 0.000 0.965 829 F CB 0.896 39.856 39.000 -0.066 0.000 1.351 829 F HN -0.203 nan 8.300 nan 0.000 0.487 830 D N 2.208 122.727 120.400 0.199 0.000 2.249 830 D HA 0.272 4.915 4.640 0.005 0.000 0.246 830 D C -0.875 175.521 176.300 0.159 0.000 1.114 830 D CA -0.045 53.986 54.000 0.052 0.000 0.854 830 D CB 2.201 43.008 40.800 0.012 0.000 1.132 830 D HN 0.489 nan 8.370 nan 0.000 0.461 831 L N 4.027 125.275 121.223 0.042 0.000 2.261 831 L HA 0.244 4.587 4.340 0.005 0.000 0.289 831 L C -0.625 176.206 176.870 -0.065 0.000 1.059 831 L CA -0.228 54.644 54.840 0.053 0.000 0.816 831 L CB 0.227 42.279 42.059 -0.010 0.000 1.191 831 L HN 0.224 nan 8.230 nan 0.000 0.431 832 L N 6.932 128.131 121.223 -0.039 0.000 2.399 832 L HA 0.466 4.809 4.340 0.005 0.000 0.266 832 L C -1.852 175.021 176.870 0.007 0.000 1.114 832 L CA -2.063 52.756 54.840 -0.035 0.000 0.804 832 L CB 0.626 42.685 42.059 0.000 0.000 1.146 832 L HN 0.488 nan 8.230 nan 0.000 0.451 833 P HA -0.010 nan 4.420 nan 0.000 0.263 833 P C 0.585 177.892 177.300 0.012 0.000 1.195 833 P CA 0.444 63.563 63.100 0.033 0.000 0.762 833 P CB 0.593 32.381 31.700 0.148 0.000 0.799 834 G N 2.692 111.414 108.800 -0.132 0.000 2.283 834 G HA2 -0.265 3.698 3.960 0.005 0.000 0.280 834 G HA3 -0.265 3.698 3.960 0.005 0.000 0.280 834 G C -0.250 174.757 174.900 0.179 0.000 1.029 834 G CA 0.025 45.137 45.100 0.021 0.000 0.840 834 G HN 0.642 nan 8.290 nan 0.000 0.505 835 E N -0.124 120.134 120.200 0.096 0.000 2.182 835 E HA 0.608 4.961 4.350 0.005 0.000 0.258 835 E C 0.663 177.349 176.600 0.144 0.000 0.879 835 E CA -0.433 56.042 56.400 0.127 0.000 0.754 835 E CB 0.968 30.717 29.700 0.081 0.000 1.162 835 E HN 0.612 nan 8.360 nan 0.000 0.419 836 R N 2.336 122.948 120.500 0.186 0.000 2.594 836 R HA 0.337 4.680 4.340 0.005 0.000 0.272 836 R C -0.168 176.183 176.300 0.085 0.000 1.074 836 R CA -0.213 55.996 56.100 0.183 0.000 1.105 836 R CB 0.274 30.666 30.300 0.154 0.000 1.008 836 R HN 0.437 nan 8.270 nan 0.000 0.472 837 K N 0.973 121.419 120.400 0.077 0.000 2.507 837 K HA 0.301 4.624 4.320 0.005 0.000 0.251 837 K C -1.042 175.567 176.600 0.016 0.000 0.943 837 K CA -0.565 55.724 56.287 0.003 0.000 0.794 837 K CB 1.711 34.190 32.500 -0.034 0.000 1.188 837 K HN 0.579 nan 8.250 nan 0.000 0.428 838 K N 3.445 123.833 120.400 -0.020 0.000 2.234 838 K HA 0.418 4.741 4.320 0.005 0.000 0.282 838 K C -1.201 175.386 176.600 -0.022 0.000 1.039 838 K CA -0.628 55.654 56.287 -0.007 0.000 0.928 838 K CB 1.094 33.587 32.500 -0.012 0.000 1.039 838 K HN 0.438 nan 8.250 nan 0.000 0.470 839 V N 6.303 126.224 119.914 0.012 0.000 2.525 839 V HA 0.377 4.500 4.120 0.005 0.000 0.299 839 V C -0.385 175.711 176.094 0.003 0.000 1.034 839 V CA -0.824 61.494 62.300 0.029 0.000 0.863 839 V CB 1.736 33.625 31.823 0.109 0.000 0.999 839 V HN 0.672 nan 8.190 nan 0.000 0.423 840 I N 5.760 126.324 120.570 -0.010 0.000 2.359 840 I HA 0.497 4.670 4.170 0.005 0.000 0.294 840 I C -0.459 175.594 176.117 -0.106 0.000 0.987 840 I CA -0.289 60.982 61.300 -0.049 0.000 1.225 840 I CB 1.473 39.449 38.000 -0.040 0.000 1.366 840 I HN 0.414 nan 8.210 nan 0.000 0.466 841 I N 5.542 126.002 120.570 -0.182 0.000 2.378 841 I HA 0.386 4.559 4.170 0.005 0.000 0.291 841 I C 0.077 176.058 176.117 -0.227 0.000 0.992 841 I CA -0.398 60.701 61.300 -0.335 0.000 1.154 841 I CB 1.879 39.589 38.000 -0.485 0.000 1.315 841 I HN 0.566 nan 8.210 nan 0.000 0.448 842 T N 1.605 116.028 114.554 -0.218 0.000 2.887 842 T HA 0.766 5.119 4.350 0.005 0.000 0.288 842 T C -0.493 174.127 174.700 -0.133 0.000 1.021 842 T CA -0.885 61.131 62.100 -0.141 0.000 1.000 842 T CB 2.011 70.820 68.868 -0.097 0.000 1.034 842 T HN 0.618 nan 8.240 nan 0.000 0.467 843 S N 1.787 117.433 115.700 -0.091 0.000 2.658 843 S HA 0.389 4.862 4.470 0.005 0.000 0.312 843 S C -2.700 171.874 174.600 -0.045 0.000 1.006 843 S CA -0.826 57.334 58.200 -0.067 0.000 0.855 843 S CB 1.299 64.453 63.200 -0.077 0.000 1.053 843 S HN 0.448 nan 8.310 nan 0.000 0.455 844 P HA 0.039 nan 4.420 nan 0.000 0.223 844 P C 0.759 178.050 177.300 -0.016 0.000 1.144 844 P CA 0.823 63.914 63.100 -0.016 0.000 0.783 844 P CB 0.046 31.744 31.700 -0.004 0.000 0.771 845 R N -1.055 119.432 120.500 -0.021 0.000 2.388 845 R HA 0.221 4.564 4.340 0.005 0.000 0.247 845 R C 0.298 176.581 176.300 -0.028 0.000 0.931 845 R CA -0.237 55.852 56.100 -0.019 0.000 1.082 845 R CB -0.146 30.145 30.300 -0.015 0.000 1.135 845 R HN 0.236 nan 8.270 nan 0.000 0.525 846 I N 1.841 122.389 120.570 -0.036 0.000 2.337 846 I HA 0.019 4.192 4.170 0.005 0.000 0.291 846 I C -0.152 175.948 176.117 -0.029 0.000 1.046 846 I CA 0.014 61.289 61.300 -0.042 0.000 1.324 846 I CB 1.042 39.007 38.000 -0.058 0.000 1.409 846 I HN -0.208 nan 8.210 nan 0.000 0.494 847 K N 5.373 125.758 120.400 -0.024 0.000 2.206 847 K HA 0.339 4.662 4.320 0.005 0.000 0.264 847 K C -0.204 176.386 176.600 -0.017 0.000 0.967 847 K CA -1.075 55.201 56.287 -0.017 0.000 0.844 847 K CB 1.756 34.249 32.500 -0.012 0.000 1.099 847 K HN 0.469 nan 8.250 nan 0.000 0.441 848 K N 0.604 120.995 120.400 -0.015 0.000 2.491 848 K HA 0.108 4.431 4.320 0.005 0.000 0.279 848 K C 1.077 177.670 176.600 -0.011 0.000 1.026 848 K CA 1.606 57.886 56.287 -0.013 0.000 1.070 848 K CB -0.015 32.478 32.500 -0.011 0.000 0.887 848 K HN 0.966 nan 8.250 nan 0.000 0.481 849 G N 3.310 112.103 108.800 -0.010 0.000 2.160 849 G HA2 -0.281 3.682 3.960 0.005 0.000 0.251 849 G HA3 -0.281 3.682 3.960 0.005 0.000 0.251 849 G C -0.210 174.685 174.900 -0.009 0.000 1.008 849 G CA 0.260 45.355 45.100 -0.009 0.000 0.724 849 G HN 0.714 nan 8.290 nan 0.000 0.514 850 E N 0.411 120.605 120.200 -0.010 0.000 3.037 850 E HA 0.203 4.556 4.350 0.005 0.000 0.220 850 E C 0.204 176.797 176.600 -0.013 0.000 1.142 850 E CA -0.486 55.907 56.400 -0.011 0.000 0.888 850 E CB 0.534 30.227 29.700 -0.011 0.000 1.329 850 E HN 0.530 nan 8.360 nan 0.000 0.409 851 E N 2.636 122.831 120.200 -0.009 0.000 2.694 851 E HA -0.116 4.237 4.350 0.005 0.000 0.250 851 E C -0.419 176.176 176.600 -0.009 0.000 0.963 851 E CA -0.164 56.234 56.400 -0.004 0.000 0.949 851 E CB 0.495 30.197 29.700 0.003 0.000 0.911 851 E HN 0.241 nan 8.360 nan 0.000 0.500 852 L N 8.058 129.271 121.223 -0.016 0.000 2.477 852 L HA 0.204 4.547 4.340 0.005 0.000 0.272 852 L C -2.286 174.566 176.870 -0.030 0.000 1.157 852 L CA -1.273 53.545 54.840 -0.036 0.000 0.889 852 L CB 0.464 42.485 42.059 -0.064 0.000 1.158 852 L HN 0.426 nan 8.230 nan 0.000 0.473 853 P HA 0.139 nan 4.420 nan 0.000 0.264 853 P C -1.280 175.970 177.300 -0.083 0.000 1.193 853 P CA 0.048 63.124 63.100 -0.039 0.000 0.763 853 P CB 0.740 32.416 31.700 -0.041 0.000 0.810 854 V N 3.651 123.512 119.914 -0.087 0.000 2.623 854 V HA 0.403 4.526 4.120 0.005 0.000 0.304 854 V C -0.361 175.623 176.094 -0.184 0.000 1.054 854 V CA -0.521 61.659 62.300 -0.200 0.000 0.882 854 V CB 1.973 33.575 31.823 -0.369 0.000 1.002 854 V HN 0.491 nan 8.190 nan 0.000 0.424 855 N N 4.625 123.171 118.700 -0.257 0.000 2.399 855 N HA 0.585 5.328 4.740 0.005 0.000 0.280 855 N C -1.243 174.053 175.510 -0.358 0.000 1.008 855 N CA -0.373 52.530 53.050 -0.245 0.000 0.894 855 N CB 1.346 39.696 38.487 -0.228 0.000 1.273 855 N HN 0.614 nan 8.380 nan 0.000 0.486 856 I N 3.027 123.427 120.570 -0.284 0.000 2.339 856 I HA 0.323 4.496 4.170 0.005 0.000 0.290 856 I C 0.093 176.035 176.117 -0.293 0.000 0.994 856 I CA -0.630 60.479 61.300 -0.317 0.000 1.191 856 I CB 1.146 39.005 38.000 -0.235 0.000 1.343 856 I HN 0.289 nan 8.210 nan 0.000 0.458 857 K N 5.552 125.694 120.400 -0.430 0.000 2.203 857 K HA 0.690 5.013 4.320 0.005 0.000 0.251 857 K C -1.006 175.319 176.600 -0.458 0.000 0.944 857 K CA -0.895 55.050 56.287 -0.570 0.000 0.829 857 K CB 2.044 33.948 32.500 -0.994 0.000 1.125 857 K HN 0.687 nan 8.250 nan 0.000 0.430 858 H N -1.592 117.245 119.070 -0.388 0.000 2.990 858 H HA 0.327 4.886 4.556 0.005 0.000 0.343 858 H C 0.499 175.846 175.328 0.031 0.000 1.270 858 H CA -0.997 54.965 56.048 -0.144 0.000 1.118 858 H CB 0.511 30.176 29.762 -0.162 0.000 1.861 858 H HN 0.273 nan 8.280 nan 0.000 0.544 859 I N -0.029 120.652 120.570 0.186 0.000 2.163 859 I HA -0.176 3.997 4.170 0.005 0.000 0.243 859 I C 2.442 178.518 176.117 -0.068 0.000 1.085 859 I CA 1.386 62.775 61.300 0.148 0.000 1.347 859 I CB -0.788 37.294 38.000 0.138 0.000 1.044 859 I HN 0.700 nan 8.210 nan 0.000 0.408 860 R N 1.710 122.117 120.500 -0.156 0.000 2.105 860 R HA -0.182 4.161 4.340 0.005 0.000 0.239 860 R C 2.013 177.932 176.300 -0.635 0.000 1.135 860 R CA 1.464 57.301 56.100 -0.437 0.000 0.967 860 R CB -0.539 29.687 30.300 -0.124 0.000 0.861 860 R HN 0.448 nan 8.270 nan 0.000 0.442 861 E N -0.839 118.998 120.200 -0.606 0.000 2.331 861 E HA -0.149 4.204 4.350 0.005 0.000 0.199 861 E C 1.339 177.750 176.600 -0.316 0.000 1.008 861 E CA 1.550 57.665 56.400 -0.476 0.000 0.843 861 E CB -0.102 29.260 29.700 -0.563 0.000 0.761 861 E HN 0.630 nan 8.360 nan 0.000 0.507 862 T N -1.433 112.966 114.554 -0.257 0.000 3.067 862 T HA -0.081 4.272 4.350 0.005 0.000 0.261 862 T C 0.425 175.169 174.700 0.073 0.000 1.110 862 T CA 0.252 62.335 62.100 -0.029 0.000 1.113 862 T CB -0.307 68.640 68.868 0.132 0.000 0.917 862 T HN 0.234 nan 8.240 nan 0.000 0.499 863 Y N -1.487 118.811 120.300 -0.003 0.000 2.553 863 Y HA 0.860 5.412 4.550 0.005 0.000 0.347 863 Y C -0.183 175.718 175.900 0.002 0.000 1.019 863 Y CA -1.926 56.178 58.100 0.007 0.000 1.032 863 Y CB 0.783 39.254 38.460 0.019 0.000 1.284 863 Y HN 0.106 nan 8.280 nan 0.000 0.466 864 K N 0.000 120.508 120.400 0.180 0.000 2.780 864 K HA 0.000 4.323 4.320 0.005 0.000 0.191 864 K CA 0.000 56.338 56.287 0.086 0.000 0.838 864 K CB 0.000 32.529 32.500 0.048 0.000 1.064 864 K HN 0.000 nan 8.250 nan 0.000 0.543