REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2vqu_1_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 YCMGTLYAQL NDSWPVVSWS SIDYYGNWKA LHYQAKRAFA DATA SEQUENCE PVLINPIQQN DSLSVYLISD RLDTMEQMTL EMKVVDFDGK TLGKKIQVHS DATA SEQUENCE LEVPANTSKC VYRAKLDGWL TPEDCRRSFL KLILKDKSGH QVAESVHFFR DATA SEQUENCE KTKDLQLPPT SVSYQMKQTD GKCELTLFSS MLAKDIFIET PLQGARYSDN DATA SEQUENCE FFDLLPGERK KVIITSPRIK KGEELPVNIK 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 0.000 175.509 175.510 -0.002 0.000 1.280 28 N CA 0.000 53.049 53.050 -0.002 0.000 0.885 28 N CB 0.000 38.488 38.487 0.002 0.000 1.341 29 D N -2.436 117.967 120.400 0.005 0.000 2.921 29 D HA 0.257 4.900 4.640 0.005 0.000 0.329 29 D C 0.040 176.356 176.300 0.027 0.000 1.293 29 D CA 0.260 54.266 54.000 0.010 0.000 0.964 29 D CB 0.038 40.839 40.800 0.002 0.000 1.435 29 D HN 0.356 nan 8.370 nan 0.000 0.548 30 T N -2.626 111.951 114.554 0.038 0.000 3.148 30 T HA 0.180 4.533 4.350 0.005 0.000 0.253 30 T C 0.806 175.553 174.700 0.078 0.000 1.134 30 T CA 0.321 62.451 62.100 0.050 0.000 1.051 30 T CB -0.834 68.063 68.868 0.048 0.000 0.959 30 T HN 0.578 nan 8.240 nan 0.000 0.525 31 S N 0.884 116.640 115.700 0.095 0.000 2.584 31 S HA 0.249 4.721 4.470 0.005 0.000 0.270 31 S C -0.187 174.492 174.600 0.131 0.000 1.346 31 S CA -0.890 57.398 58.200 0.146 0.000 1.018 31 S CB 1.038 64.321 63.200 0.138 0.000 0.899 31 S HN 0.665 nan 8.310 nan 0.000 0.542 32 E N 0.856 121.172 120.200 0.194 0.000 2.199 32 E HA 0.553 4.906 4.350 0.005 0.000 0.269 32 E C -1.553 175.198 176.600 0.252 0.000 0.899 32 E CA -1.023 55.491 56.400 0.189 0.000 0.772 32 E CB 1.643 31.438 29.700 0.158 0.000 1.155 32 E HN 0.542 nan 8.360 nan 0.000 0.408 33 V N 5.204 125.214 119.914 0.160 0.000 2.459 33 V HA 0.391 4.514 4.120 0.005 0.000 0.295 33 V C 0.014 176.187 176.094 0.132 0.000 1.029 33 V CA -0.613 61.761 62.300 0.124 0.000 0.874 33 V CB 1.519 33.371 31.823 0.048 0.000 0.985 33 V HN 0.819 nan 8.190 nan 0.000 0.438 34 M N 4.840 124.519 119.600 0.132 0.000 2.167 34 M HA 0.476 4.959 4.480 0.005 0.000 0.333 34 M C -1.275 175.025 176.300 0.001 0.000 1.030 34 M CA -0.723 54.636 55.300 0.098 0.000 0.963 34 M CB 1.733 34.442 32.600 0.181 0.000 1.589 34 M HN 0.412 nan 8.290 nan 0.000 0.431 35 L N 4.953 126.186 121.223 0.016 0.000 2.283 35 L HA 0.282 4.625 4.340 0.005 0.000 0.287 35 L C -0.237 176.654 176.870 0.034 0.000 1.073 35 L CA 0.298 55.146 54.840 0.013 0.000 0.822 35 L CB 0.507 42.587 42.059 0.035 0.000 1.186 35 L HN 0.612 nan 8.230 nan 0.000 0.436 36 L N 4.864 126.104 121.223 0.028 0.000 2.423 36 L HA 0.172 4.515 4.340 0.005 0.000 0.249 36 L C 0.146 177.265 176.870 0.414 0.000 1.276 36 L CA -0.064 54.860 54.840 0.141 0.000 1.199 36 L CB -0.418 41.676 42.059 0.058 0.000 1.407 36 L HN 0.687 nan 8.230 nan 0.000 0.410 37 D N -1.225 119.366 120.400 0.318 0.000 2.527 37 D HA 0.050 4.693 4.640 0.005 0.000 0.224 37 D C 0.360 176.866 176.300 0.343 0.000 1.217 37 D CA -0.046 54.136 54.000 0.302 0.000 0.819 37 D CB 0.519 41.407 40.800 0.147 0.000 1.061 37 D HN 0.296 nan 8.370 nan 0.000 0.515 38 T N -4.533 110.241 114.554 0.366 0.000 2.896 38 T HA 0.553 4.906 4.350 0.005 0.000 0.297 38 T C 0.900 175.750 174.700 0.249 0.000 1.108 38 T CA -0.347 61.930 62.100 0.294 0.000 1.004 38 T CB 1.757 70.730 68.868 0.174 0.000 1.159 38 T HN 0.386 nan 8.240 nan 0.000 0.499 39 G N -0.041 108.898 108.800 0.232 0.000 2.143 39 G HA2 -0.213 3.750 3.960 0.005 0.000 0.248 39 G HA3 -0.213 3.750 3.960 0.005 0.000 0.248 39 G C -0.192 174.791 174.900 0.138 0.000 0.991 39 G CA -0.233 44.952 45.100 0.141 0.000 0.689 39 G HN 0.796 nan 8.290 nan 0.000 0.522 40 W N 0.678 122.100 121.300 0.203 0.000 2.251 40 W HA 0.629 5.292 4.660 0.005 0.000 0.329 40 W C 0.818 177.516 176.519 0.299 0.000 1.234 40 W CA -0.233 57.272 57.345 0.267 0.000 1.228 40 W CB 0.667 30.317 29.460 0.317 0.000 1.135 40 W HN 0.215 nan 8.180 nan 0.000 0.576 41 E N 1.857 122.407 120.200 0.584 0.000 2.392 41 E HA 0.577 4.930 4.350 0.005 0.000 0.269 41 E C -1.255 175.734 176.600 0.648 0.000 0.924 41 E CA -1.146 55.593 56.400 0.565 0.000 0.784 41 E CB 2.288 32.239 29.700 0.418 0.000 1.292 41 E HN 0.326 nan 8.360 nan 0.000 0.447 42 F N -1.294 118.787 119.950 0.218 0.000 2.620 42 F HA 0.833 5.363 4.527 0.005 0.000 0.320 42 F C -0.779 174.825 175.800 -0.328 0.000 1.069 42 F CA -0.813 57.027 58.000 -0.267 0.000 0.953 42 F CB 2.130 40.578 39.000 -0.920 0.000 1.322 42 F HN 0.321 nan 8.300 nan 0.000 0.479 43 S N 1.213 116.432 115.700 -0.800 0.000 2.572 43 S HA 0.223 4.696 4.470 0.005 0.000 0.274 43 S C -1.533 172.795 174.600 -0.453 0.000 1.150 43 S CA -0.668 56.929 58.200 -1.006 0.000 0.944 43 S CB 1.627 63.710 63.200 -1.861 0.000 1.071 43 S HN 0.946 nan 8.310 nan 0.000 0.479 44 Q N 2.681 122.229 119.800 -0.420 0.000 2.289 44 Q HA 0.235 4.578 4.340 0.005 0.000 0.273 44 Q C -0.509 175.157 176.000 -0.556 0.000 1.029 44 Q CA 0.148 55.529 55.803 -0.703 0.000 0.896 44 Q CB 0.469 28.856 28.738 -0.584 0.000 1.182 44 Q HN 0.657 nan 8.270 nan 0.000 0.385 45 S N 2.435 117.799 115.700 -0.560 0.000 2.533 45 S HA 0.308 4.781 4.470 0.005 0.000 0.282 45 S C 0.780 175.256 174.600 -0.207 0.000 1.304 45 S CA 0.545 58.559 58.200 -0.309 0.000 1.063 45 S CB 0.756 63.812 63.200 -0.240 0.000 0.881 45 S HN 0.985 nan 8.310 nan 0.000 0.493 46 G N 2.110 110.841 108.800 -0.115 0.000 2.141 46 G HA2 -0.282 3.681 3.960 0.005 0.000 0.242 46 G HA3 -0.282 3.681 3.960 0.005 0.000 0.242 46 G C 0.673 175.511 174.900 -0.104 0.000 0.982 46 G CA 0.666 45.723 45.100 -0.071 0.000 0.662 46 G HN 0.910 nan 8.290 nan 0.000 0.527 47 T N -3.057 111.398 114.554 -0.165 0.000 2.990 47 T HA 0.372 4.725 4.350 0.005 0.000 0.249 47 T C 1.194 175.809 174.700 -0.142 0.000 1.039 47 T CA 1.208 63.209 62.100 -0.165 0.000 1.036 47 T CB 0.080 68.820 68.868 -0.214 0.000 0.994 47 T HN 0.767 nan 8.240 nan 0.000 0.489 48 E N 0.127 120.233 120.200 -0.156 0.000 3.673 48 E HA -0.191 4.162 4.350 0.005 0.000 0.309 48 E C 0.014 176.568 176.600 -0.078 0.000 0.819 48 E CA 0.986 57.359 56.400 -0.044 0.000 1.111 48 E CB -1.763 27.956 29.700 0.033 0.000 1.561 48 E HN 0.738 nan 8.360 nan 0.000 0.450 49 K N 0.413 120.645 120.400 -0.279 0.000 2.240 49 K HA 0.370 4.693 4.320 0.005 0.000 0.271 49 K C -0.941 175.378 176.600 -0.469 0.000 1.018 49 K CA -0.474 55.674 56.287 -0.231 0.000 0.874 49 K CB 0.705 33.090 32.500 -0.193 0.000 1.098 49 K HN -0.082 nan 8.250 nan 0.000 0.458 50 W N 4.716 125.926 121.300 -0.150 0.000 2.606 50 W HA 0.471 5.133 4.660 0.005 0.000 0.332 50 W C -0.326 176.063 176.519 -0.216 0.000 1.052 50 W CA -0.858 56.371 57.345 -0.192 0.000 1.223 50 W CB 1.532 30.941 29.460 -0.086 0.000 1.383 50 W HN 0.206 nan 8.180 nan 0.000 0.524 51 M N 2.871 122.419 119.600 -0.087 0.000 2.550 51 M HA 0.400 4.882 4.480 0.005 0.000 0.292 51 M C -2.523 173.914 176.300 0.228 0.000 1.221 51 M CA -3.056 52.184 55.300 -0.099 0.000 0.873 51 M CB 1.585 33.913 32.600 -0.453 0.000 1.727 51 M HN 0.033 nan 8.290 nan 0.000 0.459 52 P HA 0.310 nan 4.420 nan 0.000 0.267 52 P C -1.245 176.430 177.300 0.624 0.000 1.200 52 P CA -0.043 63.322 63.100 0.442 0.000 0.772 52 P CB 0.477 32.403 31.700 0.377 0.000 0.855 53 A N 2.085 125.219 122.820 0.525 0.000 2.479 53 A HA 0.765 5.088 4.320 0.005 0.000 0.296 53 A C -0.769 176.996 177.584 0.303 0.000 1.121 53 A CA -0.405 51.881 52.037 0.415 0.000 0.743 53 A CB 1.091 20.400 19.000 0.515 0.000 1.323 53 A HN 0.401 nan 8.150 nan 0.000 0.415 54 T N 0.883 115.521 114.554 0.140 0.000 2.792 54 T HA 0.594 4.947 4.350 0.005 0.000 0.280 54 T C -0.939 173.730 174.700 -0.050 0.000 0.990 54 T CA -0.299 61.845 62.100 0.073 0.000 0.960 54 T CB 1.107 69.991 68.868 0.027 0.000 0.939 54 T HN 0.583 nan 8.240 nan 0.000 0.439 55 V N 5.522 125.370 119.914 -0.110 0.000 2.686 55 V HA 0.411 4.534 4.120 0.005 0.000 0.306 55 V C -2.346 173.652 176.094 -0.160 0.000 1.065 55 V CA -2.113 59.991 62.300 -0.328 0.000 0.894 55 V CB 2.070 33.303 31.823 -0.983 0.000 1.004 55 V HN 0.677 nan 8.190 nan 0.000 0.424 56 P HA 0.522 nan 4.420 nan 0.000 0.269 56 P C 0.192 177.418 177.300 -0.124 0.000 1.215 56 P CA 0.424 63.435 63.100 -0.149 0.000 0.780 56 P CB 0.755 32.409 31.700 -0.078 0.000 0.898 57 G N -0.232 108.479 108.800 -0.149 0.000 2.325 57 G HA2 0.565 4.528 3.960 0.005 0.000 0.295 57 G HA3 0.565 4.528 3.960 0.005 0.000 0.295 57 G C -1.559 173.217 174.900 -0.208 0.000 1.274 57 G CA -0.291 44.721 45.100 -0.146 0.000 0.857 57 G HN 0.666 nan 8.290 nan 0.000 0.499 58 T N -2.727 111.687 114.554 -0.233 0.000 2.900 58 T HA 0.562 4.915 4.350 0.005 0.000 0.303 58 T C 0.984 175.471 174.700 -0.355 0.000 1.142 58 T CA 0.125 62.055 62.100 -0.284 0.000 1.007 58 T CB 1.566 70.321 68.868 -0.189 0.000 1.156 58 T HN 0.891 nan 8.240 nan 0.000 0.490 59 V N 1.032 120.672 119.914 -0.457 0.000 2.287 59 V HA -0.212 3.911 4.120 0.005 0.000 0.248 59 V C 2.448 178.128 176.094 -0.690 0.000 1.053 59 V CA 2.214 64.099 62.300 -0.691 0.000 1.027 59 V CB -1.203 29.952 31.823 -1.113 0.000 0.646 59 V HN 0.985 nan 8.190 nan 0.000 0.447 60 H N -0.580 118.170 119.070 -0.534 0.000 2.319 60 H HA -0.207 4.352 4.556 0.005 0.000 0.299 60 H C 2.340 177.478 175.328 -0.316 0.000 1.092 60 H CA 2.073 57.871 56.048 -0.417 0.000 1.302 60 H CB -0.193 29.350 29.762 -0.365 0.000 1.373 60 H HN 0.359 nan 8.280 nan 0.000 0.497 61 Q N 0.740 120.439 119.800 -0.168 0.000 2.124 61 Q HA -0.136 4.206 4.340 0.005 0.000 0.202 61 Q C 1.314 177.188 176.000 -0.210 0.000 0.977 61 Q CA 1.707 57.414 55.803 -0.159 0.000 0.850 61 Q CB -0.138 28.526 28.738 -0.123 0.000 0.901 61 Q HN 0.441 nan 8.270 nan 0.000 0.429 62 D N -0.448 119.745 120.400 -0.346 0.000 2.117 62 D HA -0.122 4.521 4.640 0.005 0.000 0.197 62 D C 1.872 178.049 176.300 -0.205 0.000 0.987 62 D CA 1.042 54.762 54.000 -0.467 0.000 0.829 62 D CB -0.067 40.036 40.800 -1.163 0.000 0.961 62 D HN 0.309 nan 8.370 nan 0.000 0.460 63 L N 0.376 121.502 121.223 -0.162 0.000 1.988 63 L HA -0.098 4.245 4.340 0.005 0.000 0.207 63 L C 2.588 179.511 176.870 0.089 0.000 1.071 63 L CA 0.612 55.522 54.840 0.118 0.000 0.744 63 L CB -0.396 41.669 42.059 0.012 0.000 0.893 63 L HN -0.049 nan 8.230 nan 0.000 0.433 64 I N 0.214 120.776 120.570 -0.014 0.000 2.143 64 I HA -0.423 3.750 4.170 0.005 0.000 0.245 64 I C 2.709 178.813 176.117 -0.021 0.000 1.068 64 I CA 1.994 63.288 61.300 -0.010 0.000 1.326 64 I CB -0.418 37.548 38.000 -0.056 0.000 1.028 64 I HN 0.409 nan 8.210 nan 0.000 0.412 65 S N -0.689 114.949 115.700 -0.103 0.000 2.547 65 S HA -0.159 4.313 4.470 0.005 0.000 0.235 65 S C 1.436 175.853 174.600 -0.305 0.000 0.980 65 S CA 0.926 59.001 58.200 -0.207 0.000 0.941 65 S CB -0.401 62.616 63.200 -0.305 0.000 0.763 65 S HN 0.514 nan 8.310 nan 0.000 0.532 66 H N 0.544 119.683 119.070 0.115 0.000 2.674 66 H HA 0.353 4.912 4.556 0.005 0.000 0.274 66 H C -0.175 175.220 175.328 0.112 0.000 1.121 66 H CA 0.248 56.374 56.048 0.130 0.000 1.132 66 H CB 0.079 29.950 29.762 0.182 0.000 1.606 66 H HN 0.542 nan 8.280 nan 0.000 0.558 67 E N 0.663 120.958 120.200 0.159 0.000 2.553 67 E HA -0.172 4.181 4.350 0.005 0.000 0.264 67 E C 0.270 176.965 176.600 0.158 0.000 1.068 67 E CA 0.158 56.637 56.400 0.131 0.000 0.774 67 E CB -1.499 28.266 29.700 0.108 0.000 1.349 67 E HN 0.413 nan 8.360 nan 0.000 0.404 68 L N -0.344 120.997 121.223 0.197 0.000 2.693 68 L HA 0.334 4.677 4.340 0.005 0.000 0.235 68 L C 0.475 177.518 176.870 0.288 0.000 1.127 68 L CA 0.212 55.198 54.840 0.243 0.000 0.914 68 L CB 0.331 42.573 42.059 0.305 0.000 1.193 68 L HN 0.101 nan 8.230 nan 0.000 0.502 69 L N 0.110 121.456 121.223 0.205 0.000 2.434 69 L HA 0.513 4.856 4.340 0.005 0.000 0.260 69 L C -2.319 174.635 176.870 0.140 0.000 0.983 69 L CA -1.722 53.237 54.840 0.198 0.000 0.820 69 L CB 2.751 44.879 42.059 0.114 0.000 1.361 69 L HN -0.203 nan 8.230 nan 0.000 0.410 70 P HA 0.037 nan 4.420 nan 0.000 0.274 70 P C -0.858 176.505 177.300 0.106 0.000 1.256 70 P CA -0.498 62.681 63.100 0.131 0.000 0.795 70 P CB 0.448 32.245 31.700 0.161 0.000 1.038 71 N N 1.983 120.753 118.700 0.116 0.000 2.417 71 N HA -0.030 4.713 4.740 0.005 0.000 0.272 71 N C -1.341 174.246 175.510 0.129 0.000 1.304 71 N CA -1.428 51.683 53.050 0.102 0.000 0.906 71 N CB -0.085 38.511 38.487 0.181 0.000 1.135 71 N HN 0.197 nan 8.380 nan 0.000 0.483 72 P HA -0.085 nan 4.420 nan 0.000 0.223 72 P C 0.680 178.136 177.300 0.260 0.000 1.151 72 P CA 0.990 64.093 63.100 0.005 0.000 0.787 72 P CB 0.015 31.586 31.700 -0.216 0.000 0.788 73 F N -2.088 118.010 119.950 0.248 0.000 2.743 73 F HA 0.159 4.689 4.527 0.005 0.000 0.297 73 F C 1.310 177.458 175.800 0.580 0.000 1.131 73 F CA -1.145 57.089 58.000 0.390 0.000 1.426 73 F CB -1.373 37.807 39.000 0.300 0.000 1.116 73 F HN -0.116 nan 8.300 nan 0.000 0.583 74 Y N 0.554 121.191 120.300 0.562 0.000 2.299 74 Y HA 0.480 5.032 4.550 0.005 0.000 0.326 74 Y C 1.207 177.419 175.900 0.521 0.000 1.164 74 Y CA 0.163 58.577 58.100 0.524 0.000 1.234 74 Y CB 0.597 39.263 38.460 0.343 0.000 1.219 74 Y HN 0.284 nan 8.280 nan 0.000 0.497 75 G N 4.526 113.123 108.800 -0.338 0.000 2.629 75 G HA2 -0.337 3.626 3.960 0.005 0.000 0.313 75 G HA3 -0.337 3.626 3.960 0.005 0.000 0.313 75 G C 0.541 175.562 174.900 0.201 0.000 1.217 75 G CA 0.806 45.785 45.100 -0.203 0.000 0.994 75 G HN 0.605 nan 8.290 nan 0.000 0.549 76 M N 1.645 121.351 119.600 0.177 0.000 2.356 76 M HA 0.197 4.680 4.480 0.005 0.000 0.262 76 M C 1.698 178.092 176.300 0.157 0.000 1.097 76 M CA 0.093 55.485 55.300 0.154 0.000 0.991 76 M CB -0.297 32.378 32.600 0.124 0.000 1.450 76 M HN 0.424 nan 8.290 nan 0.000 0.495 77 N N 1.497 120.323 118.700 0.209 0.000 2.588 77 N HA -0.178 4.565 4.740 0.005 0.000 0.190 77 N C 1.490 177.087 175.510 0.145 0.000 1.094 77 N CA 0.733 53.904 53.050 0.202 0.000 0.921 77 N CB -0.190 38.455 38.487 0.263 0.000 0.959 77 N HN 0.524 nan 8.380 nan 0.000 0.448 78 E N 1.096 121.358 120.200 0.103 0.000 2.070 78 E HA -0.220 4.133 4.350 0.005 0.000 0.197 78 E C 1.726 178.353 176.600 0.046 0.000 1.004 78 E CA 1.180 57.597 56.400 0.029 0.000 0.805 78 E CB 0.039 29.719 29.700 -0.033 0.000 0.744 78 E HN 0.229 nan 8.360 nan 0.000 0.451 79 K N 0.389 120.832 120.400 0.071 0.000 2.209 79 K HA -0.125 4.198 4.320 0.005 0.000 0.204 79 K C 1.733 178.415 176.600 0.136 0.000 1.048 79 K CA 0.977 57.317 56.287 0.088 0.000 0.940 79 K CB 0.106 32.653 32.500 0.079 0.000 0.729 79 K HN 0.021 nan 8.250 nan 0.000 0.451 80 K N 0.599 121.092 120.400 0.156 0.000 2.504 80 K HA -0.042 4.281 4.320 0.005 0.000 0.195 80 K C 1.692 178.468 176.600 0.294 0.000 1.036 80 K CA 0.838 57.257 56.287 0.220 0.000 0.984 80 K CB 0.151 32.771 32.500 0.199 0.000 0.788 80 K HN 0.411 nan 8.250 nan 0.000 0.488 81 I N -3.655 117.012 120.570 0.163 0.000 4.327 81 I HA 0.075 4.248 4.170 0.005 0.000 0.331 81 I C 1.333 177.351 176.117 -0.165 0.000 1.348 81 I CA -0.275 61.030 61.300 0.009 0.000 1.152 81 I CB 0.336 38.340 38.000 0.007 0.000 1.151 81 I HN -0.233 nan 8.210 nan 0.000 0.410 82 Q N 2.072 121.874 119.800 0.002 0.000 2.181 82 Q HA -0.152 4.191 4.340 0.005 0.000 0.205 82 Q C 1.935 177.943 176.000 0.015 0.000 0.980 82 Q CA 2.172 57.984 55.803 0.015 0.000 0.862 82 Q CB -0.551 28.242 28.738 0.093 0.000 0.905 82 Q HN 0.921 nan 8.270 nan 0.000 0.429 83 W N 0.092 121.457 121.300 0.109 0.000 2.387 83 W HA -0.105 4.558 4.660 0.005 0.000 0.272 83 W C 1.300 177.911 176.519 0.152 0.000 1.224 83 W CA 0.657 58.069 57.345 0.112 0.000 1.210 83 W CB -1.027 28.489 29.460 0.093 0.000 1.125 83 W HN -0.118 nan 8.180 nan 0.000 0.572 84 V N 2.575 122.102 119.914 -0.644 0.000 2.490 84 V HA -0.325 3.798 4.120 0.005 0.000 0.250 84 V C 2.690 178.808 176.094 0.040 0.000 1.061 84 V CA 2.610 64.572 62.300 -0.564 0.000 1.064 84 V CB -1.017 30.154 31.823 -1.086 0.000 0.670 84 V HN 0.337 nan 8.190 nan 0.000 0.461 85 E N 0.513 120.728 120.200 0.025 0.000 2.347 85 E HA -0.198 4.155 4.350 0.005 0.000 0.196 85 E C 1.496 178.187 176.600 0.152 0.000 1.008 85 E CA 1.508 57.963 56.400 0.092 0.000 0.852 85 E CB -0.460 29.252 29.700 0.021 0.000 0.783 85 E HN 0.749 nan 8.360 nan 0.000 0.505 86 N N 0.343 119.152 118.700 0.182 0.000 2.422 86 N HA 0.002 4.745 4.740 0.005 0.000 0.181 86 N C -0.137 175.459 175.510 0.143 0.000 1.080 86 N CA 0.137 53.290 53.050 0.171 0.000 0.893 86 N CB 0.342 38.939 38.487 0.184 0.000 0.973 86 N HN 0.099 nan 8.380 nan 0.000 0.456 87 E N 0.869 121.166 120.200 0.161 0.000 2.283 87 E HA 0.193 4.546 4.350 0.005 0.000 0.267 87 E C -0.729 175.729 176.600 -0.236 0.000 1.045 87 E CA -0.230 56.110 56.400 -0.100 0.000 0.884 87 E CB 0.868 30.375 29.700 -0.322 0.000 1.106 87 E HN 0.051 nan 8.360 nan 0.000 0.408 88 D N 0.335 120.481 120.400 -0.423 0.000 2.229 88 D HA 0.415 5.058 4.640 0.005 0.000 0.249 88 D C -0.659 175.159 176.300 -0.803 0.000 1.027 88 D CA -0.109 53.666 54.000 -0.375 0.000 0.923 88 D CB 0.648 41.312 40.800 -0.227 0.000 1.174 88 D HN 0.206 nan 8.370 nan 0.000 0.443 89 W N 0.403 121.613 121.300 -0.151 0.000 2.957 89 W HA 0.353 5.016 4.660 0.005 0.000 0.336 89 W C -0.113 176.428 176.519 0.037 0.000 1.087 89 W CA -0.737 56.587 57.345 -0.035 0.000 1.235 89 W CB 1.366 30.897 29.460 0.119 0.000 1.399 89 W HN 0.044 nan 8.180 nan 0.000 0.480 90 E N 1.829 122.131 120.200 0.170 0.000 2.212 90 E HA 0.520 4.873 4.350 0.005 0.000 0.268 90 E C -1.616 175.139 176.600 0.258 0.000 0.902 90 E CA -1.227 55.317 56.400 0.239 0.000 0.779 90 E CB 2.490 32.300 29.700 0.184 0.000 1.172 90 E HN 0.364 nan 8.360 nan 0.000 0.409 91 Y N 0.973 121.546 120.300 0.455 0.000 2.477 91 Y HA 0.414 4.967 4.550 0.005 0.000 0.347 91 Y C -0.121 176.009 175.900 0.383 0.000 0.981 91 Y CA -0.923 57.544 58.100 0.610 0.000 1.033 91 Y CB 2.047 40.928 38.460 0.703 0.000 1.245 91 Y HN 0.463 nan 8.280 nan 0.000 0.455 92 R N 0.844 121.639 120.500 0.492 0.000 2.668 92 R HA 0.872 5.215 4.340 0.005 0.000 0.272 92 R C -1.848 174.382 176.300 -0.117 0.000 1.019 92 R CA -0.751 55.364 56.100 0.024 0.000 0.894 92 R CB 2.427 32.486 30.300 -0.401 0.000 1.228 92 R HN 0.629 nan 8.270 nan 0.000 0.460 93 T N 0.212 114.525 114.554 -0.402 0.000 2.821 93 T HA 0.529 4.882 4.350 0.005 0.000 0.306 93 T C -1.348 173.228 174.700 -0.207 0.000 1.313 93 T CA -0.439 61.341 62.100 -0.533 0.000 1.012 93 T CB 2.038 70.068 68.868 -1.397 0.000 1.298 93 T HN 0.603 nan 8.240 nan 0.000 0.502 94 S N 1.231 116.849 115.700 -0.136 0.000 2.568 94 S HA 0.945 5.418 4.470 0.005 0.000 0.293 94 S C -1.499 173.107 174.600 0.009 0.000 1.089 94 S CA -0.664 57.451 58.200 -0.142 0.000 0.945 94 S CB 0.969 64.054 63.200 -0.193 0.000 1.077 94 S HN 0.655 nan 8.310 nan 0.000 0.485 95 F N -0.207 119.641 119.950 -0.170 0.000 2.668 95 F HA 0.725 5.255 4.527 0.005 0.000 0.309 95 F C -1.593 174.159 175.800 -0.080 0.000 1.117 95 F CA -1.352 56.592 58.000 -0.094 0.000 0.951 95 F CB 0.605 39.578 39.000 -0.044 0.000 1.323 95 F HN 0.206 nan 8.300 nan 0.000 0.451 96 I N 3.086 123.724 120.570 0.113 0.000 2.385 96 I HA 0.558 4.731 4.170 0.005 0.000 0.294 96 I C -0.282 175.908 176.117 0.121 0.000 0.988 96 I CA -1.242 60.070 61.300 0.020 0.000 1.265 96 I CB 1.357 39.361 38.000 0.008 0.000 1.388 96 I HN 0.532 nan 8.210 nan 0.000 0.480 97 V N 4.905 124.849 119.914 0.050 0.000 2.604 97 V HA 0.469 4.592 4.120 0.005 0.000 0.305 97 V C 0.253 176.338 176.094 -0.014 0.000 1.043 97 V CA -0.675 61.669 62.300 0.074 0.000 0.888 97 V CB 2.044 33.975 31.823 0.181 0.000 0.995 97 V HN 0.919 nan 8.190 nan 0.000 0.429 98 S N 2.336 117.992 115.700 -0.073 0.000 2.672 98 S HA 0.346 4.819 4.470 0.005 0.000 0.276 98 S C 0.893 175.459 174.600 -0.056 0.000 1.207 98 S CA -0.353 57.804 58.200 -0.071 0.000 1.002 98 S CB 1.525 64.665 63.200 -0.101 0.000 0.998 98 S HN 0.794 nan 8.310 nan 0.000 0.542 99 E N 0.531 120.706 120.200 -0.041 0.000 2.118 99 E HA -0.222 4.131 4.350 0.005 0.000 0.195 99 E C 1.371 177.950 176.600 -0.035 0.000 0.992 99 E CA 1.636 58.019 56.400 -0.028 0.000 0.804 99 E CB -0.099 29.587 29.700 -0.023 0.000 0.741 99 E HN 0.777 nan 8.360 nan 0.000 0.458 100 E N 0.375 120.543 120.200 -0.054 0.000 2.106 100 E HA -0.170 4.183 4.350 0.005 0.000 0.192 100 E C 2.044 178.595 176.600 -0.081 0.000 0.984 100 E CA 1.035 57.398 56.400 -0.060 0.000 0.806 100 E CB -0.107 29.552 29.700 -0.068 0.000 0.750 100 E HN 0.303 nan 8.360 nan 0.000 0.458 101 Q N -0.321 119.390 119.800 -0.148 0.000 2.079 101 Q HA -0.081 4.262 4.340 0.005 0.000 0.200 101 Q C 1.862 177.869 176.000 0.011 0.000 0.974 101 Q CA 0.682 56.343 55.803 -0.236 0.000 0.840 101 Q CB -0.092 28.259 28.738 -0.646 0.000 0.898 101 Q HN 0.165 nan 8.270 nan 0.000 0.430 102 L N 1.253 122.491 121.223 0.026 0.000 2.265 102 L HA -0.110 4.233 4.340 0.005 0.000 0.215 102 L C 1.400 178.294 176.870 0.041 0.000 1.117 102 L CA 1.460 56.343 54.840 0.072 0.000 0.782 102 L CB -0.374 41.712 42.059 0.046 0.000 0.914 102 L HN 0.226 nan 8.230 nan 0.000 0.441 103 N N -0.652 118.056 118.700 0.013 0.000 2.398 103 N HA -0.005 4.737 4.740 0.005 0.000 0.188 103 N C 0.115 175.624 175.510 -0.003 0.000 1.122 103 N CA -0.022 53.029 53.050 0.002 0.000 0.866 103 N CB 0.337 38.819 38.487 -0.008 0.000 0.970 103 N HN 0.214 nan 8.380 nan 0.000 0.462 104 R N 1.363 121.871 120.500 0.013 0.000 2.694 104 R HA 0.013 4.355 4.340 0.005 0.000 0.268 104 R C 0.819 177.075 176.300 -0.075 0.000 1.061 104 R CA -0.096 55.998 56.100 -0.010 0.000 1.133 104 R CB 0.340 30.667 30.300 0.046 0.000 1.020 104 R HN 0.068 nan 8.270 nan 0.000 0.475 105 D N 0.433 120.754 120.400 -0.131 0.000 2.117 105 D HA -0.052 4.591 4.640 0.005 0.000 0.197 105 D C 0.907 177.038 176.300 -0.282 0.000 0.987 105 D CA 1.548 55.451 54.000 -0.162 0.000 0.829 105 D CB 0.113 40.831 40.800 -0.137 0.000 0.961 105 D HN 0.649 nan 8.370 nan 0.000 0.460 106 G N -0.756 107.676 108.800 -0.612 0.000 2.612 106 G HA2 0.649 4.612 3.960 0.005 0.000 0.298 106 G HA3 0.649 4.612 3.960 0.005 0.000 0.298 106 G C -1.200 173.312 174.900 -0.646 0.000 1.336 106 G CA -0.584 44.066 45.100 -0.750 0.000 0.953 106 G HN 0.028 nan 8.290 nan 0.000 0.482 107 I N 0.303 120.725 120.570 -0.247 0.000 2.571 107 I HA 0.378 4.551 4.170 0.005 0.000 0.289 107 I C -0.707 175.384 176.117 -0.043 0.000 1.115 107 I CA -0.557 60.647 61.300 -0.160 0.000 1.045 107 I CB 2.584 40.483 38.000 -0.168 0.000 1.238 107 I HN 0.377 nan 8.210 nan 0.000 0.424 108 Q N 5.175 124.958 119.800 -0.028 0.000 2.330 108 Q HA 0.607 4.950 4.340 0.005 0.000 0.269 108 Q C -1.785 174.145 176.000 -0.115 0.000 1.022 108 Q CA -0.893 54.917 55.803 0.012 0.000 0.796 108 Q CB 2.950 31.746 28.738 0.097 0.000 1.271 108 Q HN 0.598 nan 8.270 nan 0.000 0.450 109 L N 4.846 126.013 121.223 -0.094 0.000 2.307 109 L HA 0.605 4.947 4.340 0.005 0.000 0.284 109 L C -1.645 175.127 176.870 -0.164 0.000 1.023 109 L CA -0.212 54.519 54.840 -0.183 0.000 0.810 109 L CB 1.352 43.320 42.059 -0.151 0.000 1.231 109 L HN 0.606 nan 8.230 nan 0.000 0.423 110 I N 5.477 125.888 120.570 -0.265 0.000 2.418 110 I HA 0.353 4.526 4.170 0.005 0.000 0.287 110 I C -1.080 174.863 176.117 -0.289 0.000 1.008 110 I CA -0.004 61.202 61.300 -0.156 0.000 1.104 110 I CB 1.394 39.344 38.000 -0.083 0.000 1.264 110 I HN 0.369 nan 8.210 nan 0.000 0.438 111 F N 4.846 124.836 119.950 0.067 0.000 2.334 111 F HA 0.345 4.875 4.527 0.005 0.000 0.367 111 F C 1.449 177.257 175.800 0.013 0.000 1.115 111 F CA -0.380 57.659 58.000 0.064 0.000 1.116 111 F CB 0.925 40.003 39.000 0.129 0.000 1.230 111 F HN 0.538 nan 8.300 nan 0.000 0.484 112 E N 2.164 122.405 120.200 0.069 0.000 2.347 112 E HA 0.102 4.455 4.350 0.005 0.000 0.196 112 E C 0.821 177.334 176.600 -0.145 0.000 1.008 112 E CA 0.382 56.759 56.400 -0.038 0.000 0.852 112 E CB 0.270 29.917 29.700 -0.089 0.000 0.783 112 E HN 0.735 nan 8.360 nan 0.000 0.505 113 G N 0.649 109.384 108.800 -0.108 0.000 2.682 113 G HA2 0.462 4.425 3.960 0.005 0.000 0.300 113 G HA3 0.462 4.425 3.960 0.005 0.000 0.300 113 G C -1.478 173.523 174.900 0.169 0.000 1.396 113 G CA -0.771 44.227 45.100 -0.171 0.000 1.104 113 G HN -0.046 nan 8.290 nan 0.000 0.587 114 L N 2.159 123.627 121.223 0.408 0.000 2.376 114 L HA 0.497 4.840 4.340 0.005 0.000 0.275 114 L C -1.260 175.835 176.870 0.375 0.000 0.987 114 L CA -0.899 54.176 54.840 0.391 0.000 0.828 114 L CB 2.519 44.669 42.059 0.153 0.000 1.249 114 L HN 0.520 nan 8.230 nan 0.000 0.409 115 D N 1.528 122.122 120.400 0.325 0.000 2.460 115 D HA 0.402 5.045 4.640 0.005 0.000 0.232 115 D C 0.013 176.395 176.300 0.137 0.000 1.079 115 D CA -0.128 53.881 54.000 0.016 0.000 0.864 115 D CB 1.623 42.260 40.800 -0.272 0.000 1.048 115 D HN 0.477 nan 8.370 nan 0.000 0.523 116 T N 2.182 116.843 114.554 0.178 0.000 3.408 116 T HA 0.067 4.420 4.350 0.005 0.000 0.273 116 T C -0.139 174.476 174.700 -0.142 0.000 0.983 116 T CA 0.105 62.151 62.100 -0.090 0.000 1.087 116 T CB -0.116 68.549 68.868 -0.337 0.000 1.170 116 T HN 0.246 nan 8.240 nan 0.000 0.456 117 Y N 2.811 123.245 120.300 0.222 0.000 2.636 117 Y HA 0.655 5.208 4.550 0.005 0.000 0.341 117 Y C 0.306 176.338 175.900 0.221 0.000 1.169 117 Y CA -1.118 57.106 58.100 0.206 0.000 1.498 117 Y CB -0.138 38.456 38.460 0.224 0.000 1.362 117 Y HN 0.178 nan 8.280 nan 0.000 0.494 118 A N 2.517 125.377 122.820 0.065 0.000 2.291 118 A HA 0.490 4.813 4.320 0.005 0.000 0.311 118 A C -0.858 176.598 177.584 -0.214 0.000 1.224 118 A CA -0.909 50.961 52.037 -0.277 0.000 0.821 118 A CB 0.368 18.999 19.000 -0.614 0.000 1.172 118 A HN 0.455 nan 8.150 nan 0.000 0.494 119 D N 2.182 122.513 120.400 -0.114 0.000 2.313 119 D HA 0.384 5.026 4.640 0.005 0.000 0.239 119 D C -0.374 175.679 176.300 -0.412 0.000 1.142 119 D CA 0.230 54.089 54.000 -0.235 0.000 0.847 119 D CB 1.648 42.407 40.800 -0.069 0.000 1.082 119 D HN 0.167 nan 8.370 nan 0.000 0.480 120 V N 3.923 123.523 119.914 -0.522 0.000 2.370 120 V HA 0.255 4.378 4.120 0.005 0.000 0.283 120 V C -0.653 175.214 176.094 -0.378 0.000 1.023 120 V CA -0.689 61.402 62.300 -0.349 0.000 0.857 120 V CB 0.262 31.888 31.823 -0.329 0.000 0.985 120 V HN 0.338 nan 8.190 nan 0.000 0.443 121 Y N 5.000 125.404 120.300 0.175 0.000 2.352 121 Y HA 0.719 5.272 4.550 0.005 0.000 0.339 121 Y C -0.286 175.743 175.900 0.215 0.000 0.992 121 Y CA -1.015 57.184 58.100 0.166 0.000 1.100 121 Y CB 1.898 40.446 38.460 0.146 0.000 1.192 121 Y HN 0.507 nan 8.280 nan 0.000 0.458 122 L N 4.705 126.116 121.223 0.313 0.000 2.372 122 L HA 0.520 4.863 4.340 0.005 0.000 0.274 122 L C -0.468 176.520 176.870 0.197 0.000 0.988 122 L CA -0.713 54.286 54.840 0.267 0.000 0.833 122 L CB 0.945 43.154 42.059 0.250 0.000 1.236 122 L HN 0.724 nan 8.230 nan 0.000 0.410 123 N N 4.359 123.161 118.700 0.169 0.000 2.716 123 N HA -0.213 4.530 4.740 0.005 0.000 0.250 123 N C 0.998 176.562 175.510 0.091 0.000 1.033 123 N CA 1.436 54.553 53.050 0.112 0.000 0.727 123 N CB -1.191 37.341 38.487 0.074 0.000 0.950 123 N HN 1.265 nan 8.380 nan 0.000 0.541 124 G N -2.063 106.794 108.800 0.096 0.000 2.199 124 G HA2 -0.293 3.670 3.960 0.005 0.000 0.254 124 G HA3 -0.293 3.670 3.960 0.005 0.000 0.254 124 G C 0.031 174.999 174.900 0.113 0.000 0.982 124 G CA 0.528 45.665 45.100 0.061 0.000 0.632 124 G HN 0.856 nan 8.290 nan 0.000 0.529 125 S N 0.164 115.958 115.700 0.157 0.000 2.438 125 S HA 0.595 5.068 4.470 0.005 0.000 0.293 125 S C 0.265 175.001 174.600 0.226 0.000 1.141 125 S CA -0.587 57.710 58.200 0.163 0.000 1.080 125 S CB 0.873 64.142 63.200 0.116 0.000 0.978 125 S HN 1.143 nan 8.310 nan 0.000 0.479 126 L N 7.408 128.760 121.223 0.216 0.000 2.600 126 L HA 0.247 4.590 4.340 0.005 0.000 0.278 126 L C 0.626 177.477 176.870 -0.032 0.000 1.139 126 L CA 0.592 55.443 54.840 0.018 0.000 0.933 126 L CB -0.365 41.718 42.059 0.040 0.000 1.266 126 L HN 0.836 nan 8.230 nan 0.000 0.471 127 L N 4.883 126.070 121.223 -0.059 0.000 2.240 127 L HA 0.136 4.478 4.340 0.005 0.000 0.211 127 L C 0.033 176.860 176.870 -0.071 0.000 1.106 127 L CA 0.270 55.101 54.840 -0.015 0.000 0.793 127 L CB -0.150 41.943 42.059 0.057 0.000 0.927 127 L HN 0.578 nan 8.230 nan 0.000 0.446 128 L N -0.591 120.529 121.223 -0.172 0.000 2.643 128 L HA 0.306 4.649 4.340 0.005 0.000 0.257 128 L C -1.526 175.172 176.870 -0.287 0.000 0.922 128 L CA -0.490 54.209 54.840 -0.235 0.000 0.909 128 L CB 1.599 43.459 42.059 -0.330 0.000 1.424 128 L HN -0.115 nan 8.230 nan 0.000 0.422 129 K N 4.263 124.529 120.400 -0.224 0.000 2.354 129 K HA 0.777 5.100 4.320 0.005 0.000 0.257 129 K C -0.361 176.119 176.600 -0.200 0.000 1.062 129 K CA -0.377 55.806 56.287 -0.173 0.000 0.971 129 K CB 1.416 33.873 32.500 -0.072 0.000 1.305 129 K HN 0.710 nan 8.250 nan 0.000 0.449 130 A N 2.499 125.133 122.820 -0.310 0.000 2.371 130 A HA 0.201 4.524 4.320 0.005 0.000 0.257 130 A C 0.143 177.670 177.584 -0.095 0.000 1.089 130 A CA -0.232 51.570 52.037 -0.392 0.000 0.794 130 A CB 0.230 18.905 19.000 -0.542 0.000 1.029 130 A HN 0.822 nan 8.150 nan 0.000 0.488 131 D N 0.043 120.446 120.400 0.005 0.000 2.783 131 D HA 0.093 4.735 4.640 0.005 0.000 0.306 131 D C -0.774 175.457 176.300 -0.116 0.000 1.633 131 D CA -0.281 53.669 54.000 -0.084 0.000 0.796 131 D CB -0.376 40.480 40.800 0.093 0.000 1.230 131 D HN 0.275 nan 8.370 nan 0.000 0.441 132 N N 0.994 119.675 118.700 -0.031 0.000 2.655 132 N HA 0.118 4.861 4.740 0.005 0.000 0.277 132 N C 0.363 175.816 175.510 -0.095 0.000 1.177 132 N CA -0.280 52.725 53.050 -0.075 0.000 0.882 132 N CB 1.541 40.029 38.487 0.002 0.000 1.481 132 N HN 0.031 nan 8.380 nan 0.000 0.547 133 M N 2.391 121.793 119.600 -0.330 0.000 2.195 133 M HA -0.093 4.390 4.480 0.005 0.000 0.260 133 M C 0.002 176.291 176.300 -0.017 0.000 1.066 133 M CA 1.904 57.009 55.300 -0.324 0.000 1.089 133 M CB -0.015 32.065 32.600 -0.867 0.000 1.377 133 M HN 0.420 nan 8.290 nan 0.000 0.411 134 F N -0.699 119.369 119.950 0.196 0.000 2.692 134 F HA 0.250 4.780 4.527 0.005 0.000 0.303 134 F C 0.071 175.871 175.800 -0.001 0.000 1.114 134 F CA -0.323 57.835 58.000 0.263 0.000 1.361 134 F CB -0.531 38.672 39.000 0.338 0.000 1.063 134 F HN -0.228 nan 8.300 nan 0.000 0.550 135 V N -0.186 119.635 119.914 -0.155 0.000 2.555 135 V HA 0.704 4.827 4.120 0.005 0.000 0.302 135 V C 0.512 175.939 176.094 -1.113 0.000 1.038 135 V CA -1.129 60.688 62.300 -0.805 0.000 0.887 135 V CB 1.487 32.844 31.823 -0.778 0.000 0.991 135 V HN 0.186 nan 8.190 nan 0.000 0.434 136 G N 2.889 110.562 108.800 -1.878 0.000 2.338 136 G HA2 0.534 4.497 3.960 0.005 0.000 0.298 136 G HA3 0.534 4.497 3.960 0.005 0.000 0.298 136 G C -1.336 173.159 174.900 -0.674 0.000 1.140 136 G CA -0.149 44.382 45.100 -0.948 0.000 0.860 136 G HN 0.529 nan 8.290 nan 0.000 0.470 137 Y N 0.727 120.980 120.300 -0.079 0.000 2.331 137 Y HA 0.432 4.985 4.550 0.005 0.000 0.338 137 Y C 0.748 176.694 175.900 0.077 0.000 0.992 137 Y CA -0.529 57.582 58.100 0.017 0.000 1.121 137 Y CB 2.287 40.789 38.460 0.071 0.000 1.184 137 Y HN 0.357 nan 8.280 nan 0.000 0.469 138 T N 5.817 120.483 114.554 0.187 0.000 2.772 138 T HA 0.585 4.938 4.350 0.005 0.000 0.288 138 T C -0.573 174.202 174.700 0.125 0.000 0.994 138 T CA -0.603 61.569 62.100 0.120 0.000 0.951 138 T CB 0.155 69.063 68.868 0.066 0.000 0.933 138 T HN 0.378 nan 8.240 nan 0.000 0.447 139 L N 6.085 127.375 121.223 0.112 0.000 2.349 139 L HA 0.461 4.804 4.340 0.005 0.000 0.278 139 L C -2.281 174.636 176.870 0.079 0.000 0.996 139 L CA -2.498 52.410 54.840 0.112 0.000 0.825 139 L CB 2.156 44.308 42.059 0.155 0.000 1.243 139 L HN 0.342 nan 8.230 nan 0.000 0.412 140 P HA 0.070 nan 4.420 nan 0.000 0.282 140 P C 0.271 177.608 177.300 0.061 0.000 1.274 140 P CA -0.132 63.010 63.100 0.071 0.000 0.770 140 P CB 1.457 33.200 31.700 0.071 0.000 0.867 141 V N 0.937 120.878 119.914 0.046 0.000 3.398 141 V HA 0.185 4.308 4.120 0.005 0.000 0.298 141 V C 1.986 178.113 176.094 0.055 0.000 1.496 141 V CA 0.178 62.514 62.300 0.059 0.000 1.044 141 V CB -0.499 31.369 31.823 0.076 0.000 0.880 141 V HN 0.302 nan 8.190 nan 0.000 0.443 142 K N 2.646 123.064 120.400 0.030 0.000 2.059 142 K HA -0.236 4.087 4.320 0.005 0.000 0.212 142 K C 2.217 178.844 176.600 0.045 0.000 1.050 142 K CA 2.535 58.842 56.287 0.033 0.000 0.927 142 K CB -0.258 32.241 32.500 -0.001 0.000 0.714 142 K HN 0.745 nan 8.250 nan 0.000 0.447 143 S N -0.130 115.593 115.700 0.038 0.000 2.515 143 S HA -0.063 4.410 4.470 0.005 0.000 0.231 143 S C 1.788 176.414 174.600 0.045 0.000 0.987 143 S CA 0.782 59.004 58.200 0.036 0.000 0.936 143 S CB 0.056 63.274 63.200 0.031 0.000 0.766 143 S HN 0.312 nan 8.310 nan 0.000 0.528 144 V N -1.493 118.456 119.914 0.058 0.000 3.644 144 V HA 0.466 4.589 4.120 0.005 0.000 0.267 144 V C 0.651 176.785 176.094 0.068 0.000 1.277 144 V CA -0.344 61.995 62.300 0.066 0.000 1.096 144 V CB -0.669 31.203 31.823 0.082 0.000 0.828 144 V HN 0.392 nan 8.190 nan 0.000 0.446 145 L N 1.388 122.658 121.223 0.078 0.000 2.466 145 L HA 0.484 4.827 4.340 0.005 0.000 0.257 145 L C 0.483 177.378 176.870 0.041 0.000 1.189 145 L CA -0.065 54.822 54.840 0.078 0.000 0.813 145 L CB 0.560 42.706 42.059 0.144 0.000 1.118 145 L HN 0.238 nan 8.230 nan 0.000 0.471 146 R N 0.672 121.176 120.500 0.006 0.000 2.673 146 R HA 0.296 4.639 4.340 0.005 0.000 0.281 146 R C -1.016 175.271 176.300 -0.022 0.000 0.991 146 R CA -1.022 55.072 56.100 -0.011 0.000 0.896 146 R CB 2.225 32.507 30.300 -0.031 0.000 1.201 146 R HN 0.403 nan 8.270 nan 0.000 0.457 147 K N 1.555 121.948 120.400 -0.012 0.000 2.401 147 K HA 0.272 4.595 4.320 0.005 0.000 0.278 147 K C 0.402 176.977 176.600 -0.042 0.000 1.018 147 K CA 1.203 57.479 56.287 -0.019 0.000 0.981 147 K CB 0.428 32.921 32.500 -0.013 0.000 0.933 147 K HN 0.741 nan 8.250 nan 0.000 0.477 148 G N 2.865 111.634 108.800 -0.052 0.000 2.513 148 G HA2 -0.256 3.707 3.960 0.005 0.000 0.227 148 G HA3 -0.256 3.707 3.960 0.005 0.000 0.227 148 G C -0.823 173.994 174.900 -0.137 0.000 1.176 148 G CA -0.210 44.846 45.100 -0.073 0.000 0.967 148 G HN 0.728 nan 8.290 nan 0.000 0.587 149 E N 1.018 121.114 120.200 -0.172 0.000 2.338 149 E HA 0.405 4.758 4.350 0.005 0.000 0.272 149 E C -0.260 176.052 176.600 -0.481 0.000 1.029 149 E CA -0.368 55.840 56.400 -0.320 0.000 0.872 149 E CB 0.239 29.771 29.700 -0.279 0.000 1.015 149 E HN 0.416 nan 8.360 nan 0.000 0.417 150 N N 2.279 120.513 118.700 -0.778 0.000 2.238 150 N HA 0.268 5.011 4.740 0.005 0.000 0.302 150 N C -1.380 173.570 175.510 -0.932 0.000 1.072 150 N CA -0.598 51.929 53.050 -0.872 0.000 0.792 150 N CB 1.389 39.115 38.487 -1.267 0.000 1.425 150 N HN 0.457 nan 8.380 nan 0.000 0.478 151 H N 1.742 120.659 119.070 -0.255 0.000 2.708 151 H HA 0.263 4.822 4.556 0.005 0.000 0.320 151 H C -0.669 174.700 175.328 0.068 0.000 0.991 151 H CA -0.567 55.428 56.048 -0.088 0.000 1.243 151 H CB 2.096 31.836 29.762 -0.036 0.000 1.446 151 H HN 0.321 nan 8.280 nan 0.000 0.502 152 L N 4.475 125.836 121.223 0.230 0.000 2.295 152 L HA 0.325 4.668 4.340 0.005 0.000 0.285 152 L C -1.447 175.639 176.870 0.359 0.000 1.035 152 L CA -0.574 54.466 54.840 0.334 0.000 0.806 152 L CB 0.671 42.942 42.059 0.355 0.000 1.214 152 L HN 0.550 nan 8.230 nan 0.000 0.426 153 Y N 5.563 126.071 120.300 0.346 0.000 2.315 153 Y HA 0.589 5.142 4.550 0.005 0.000 0.324 153 Y C -0.972 175.206 175.900 0.465 0.000 1.062 153 Y CA -0.768 57.573 58.100 0.402 0.000 1.159 153 Y CB 1.287 39.943 38.460 0.327 0.000 1.145 153 Y HN 0.524 nan 8.280 nan 0.000 0.442 154 I N 6.522 127.419 120.570 0.544 0.000 2.378 154 I HA 0.218 4.391 4.170 0.005 0.000 0.291 154 I C -1.262 175.078 176.117 0.371 0.000 0.992 154 I CA -0.944 60.559 61.300 0.338 0.000 1.154 154 I CB 1.534 39.608 38.000 0.124 0.000 1.315 154 I HN 0.584 nan 8.210 nan 0.000 0.448 155 Y N 6.740 127.127 120.300 0.145 0.000 2.369 155 Y HA 0.451 5.004 4.550 0.005 0.000 0.337 155 Y C -0.960 174.836 175.900 -0.173 0.000 0.961 155 Y CA -0.616 57.561 58.100 0.129 0.000 1.186 155 Y CB 0.711 39.285 38.460 0.189 0.000 1.139 155 Y HN 0.352 nan 8.280 nan 0.000 0.494 156 F N 5.484 125.450 119.950 0.026 0.000 2.375 156 F HA 0.242 4.772 4.527 0.005 0.000 0.362 156 F C 0.511 176.330 175.800 0.032 0.000 1.129 156 F CA -0.563 57.507 58.000 0.117 0.000 1.154 156 F CB 0.147 39.262 39.000 0.192 0.000 1.205 156 F HN 0.441 nan 8.300 nan 0.000 0.513 157 H N 1.114 120.451 119.070 0.446 0.000 2.815 157 H HA -0.014 4.545 4.556 0.005 0.000 0.350 157 H C 0.528 176.064 175.328 0.347 0.000 1.080 157 H CA -0.203 56.079 56.048 0.389 0.000 1.433 157 H CB 1.236 31.193 29.762 0.325 0.000 1.432 157 H HN 0.497 nan 8.280 nan 0.000 0.592 158 S N 4.195 120.114 115.700 0.365 0.000 2.575 158 S HA -0.028 4.445 4.470 0.005 0.000 0.295 158 S C -1.148 173.622 174.600 0.283 0.000 1.267 158 S CA -1.242 57.134 58.200 0.293 0.000 1.074 158 S CB 0.470 63.792 63.200 0.204 0.000 0.829 158 S HN 0.519 nan 8.310 nan 0.000 0.497 159 P HA -0.085 nan 4.420 nan 0.000 0.222 159 P C 1.363 178.802 177.300 0.232 0.000 1.147 159 P CA 0.710 64.037 63.100 0.377 0.000 0.790 159 P CB -0.008 31.892 31.700 0.333 0.000 0.780 160 I N 0.035 120.697 120.570 0.154 0.000 2.206 160 I HA -0.087 4.085 4.170 0.005 0.000 0.239 160 I C 2.537 178.687 176.117 0.054 0.000 1.078 160 I CA 1.222 62.575 61.300 0.088 0.000 1.367 160 I CB -1.372 36.658 38.000 0.049 0.000 1.078 160 I HN -0.040 nan 8.210 nan 0.000 0.413 161 R N 0.782 121.325 120.500 0.070 0.000 2.096 161 R HA -0.176 4.167 4.340 0.005 0.000 0.235 161 R C 2.091 178.391 176.300 -0.000 0.000 1.127 161 R CA 0.970 57.100 56.100 0.051 0.000 0.968 161 R CB -0.868 29.484 30.300 0.086 0.000 0.861 161 R HN 0.405 nan 8.270 nan 0.000 0.440 162 Q N 0.803 120.583 119.800 -0.034 0.000 2.135 162 Q HA -0.117 4.226 4.340 0.005 0.000 0.204 162 Q C 1.458 177.317 176.000 -0.235 0.000 0.981 162 Q CA 2.386 58.057 55.803 -0.221 0.000 0.856 162 Q CB -0.096 28.343 28.738 -0.499 0.000 0.902 162 Q HN 0.483 nan 8.270 nan 0.000 0.425 163 T N -3.304 111.177 114.554 -0.122 0.000 3.023 163 T HA 0.207 4.560 4.350 0.005 0.000 0.253 163 T C 1.631 176.278 174.700 -0.089 0.000 1.038 163 T CA -0.031 62.009 62.100 -0.100 0.000 0.962 163 T CB -0.103 68.803 68.868 0.064 0.000 1.018 163 T HN 0.193 nan 8.240 nan 0.000 0.521 164 L N 1.444 122.646 121.223 -0.036 0.000 2.043 164 L HA -0.021 4.322 4.340 0.005 0.000 0.212 164 L C -0.275 176.596 176.870 0.003 0.000 1.075 164 L CA 1.571 56.418 54.840 0.012 0.000 0.752 164 L CB -1.474 40.601 42.059 0.027 0.000 0.891 164 L HN 0.257 nan 8.230 nan 0.000 0.432 165 P HA -0.189 nan 4.420 nan 0.000 0.219 165 P C 1.472 178.684 177.300 -0.147 0.000 1.150 165 P CA 1.232 64.284 63.100 -0.079 0.000 0.814 165 P CB 0.029 31.679 31.700 -0.083 0.000 0.787 166 Q N -1.137 118.524 119.800 -0.231 0.000 2.061 166 Q HA -0.226 4.117 4.340 0.005 0.000 0.204 166 Q C 2.286 177.949 176.000 -0.560 0.000 0.984 166 Q CA 1.420 56.971 55.803 -0.421 0.000 0.846 166 Q CB -0.630 27.772 28.738 -0.560 0.000 0.902 166 Q HN 0.128 nan 8.270 nan 0.000 0.421 167 Y N 0.216 120.155 120.300 -0.601 0.000 2.145 167 Y HA -0.202 4.351 4.550 0.005 0.000 0.286 167 Y C 2.015 177.806 175.900 -0.181 0.000 1.145 167 Y CA 1.592 59.481 58.100 -0.353 0.000 1.148 167 Y CB -0.647 37.749 38.460 -0.106 0.000 0.981 167 Y HN 0.201 nan 8.280 nan 0.000 0.507 168 A N -0.283 122.433 122.820 -0.173 0.000 1.940 168 A HA -0.238 4.085 4.320 0.005 0.000 0.219 168 A C 2.435 179.882 177.584 -0.229 0.000 1.176 168 A CA 2.366 54.283 52.037 -0.199 0.000 0.631 168 A CB -1.361 17.604 19.000 -0.058 0.000 0.814 168 A HN 0.617 nan 8.150 nan 0.000 0.446 169 S N -0.531 115.042 115.700 -0.211 0.000 2.489 169 S HA -0.091 4.381 4.470 0.005 0.000 0.228 169 S C 1.582 176.069 174.600 -0.188 0.000 0.995 169 S CA 1.133 59.233 58.200 -0.168 0.000 0.934 169 S CB -0.515 62.601 63.200 -0.140 0.000 0.771 169 S HN 0.565 nan 8.310 nan 0.000 0.522 170 N N 1.480 120.009 118.700 -0.285 0.000 2.300 170 N HA 0.121 4.864 4.740 0.005 0.000 0.179 170 N C 1.459 176.780 175.510 -0.315 0.000 1.016 170 N CA 1.398 54.258 53.050 -0.316 0.000 0.876 170 N CB -0.470 37.803 38.487 -0.356 0.000 0.979 170 N HN 0.617 nan 8.380 nan 0.000 0.432 171 G N -1.377 107.253 108.800 -0.285 0.000 2.205 171 G HA2 -0.241 3.722 3.960 0.005 0.000 0.261 171 G HA3 -0.241 3.722 3.960 0.005 0.000 0.261 171 G C 0.097 175.013 174.900 0.027 0.000 0.980 171 G CA 0.893 45.930 45.100 -0.105 0.000 0.632 171 G HN 0.577 nan 8.290 nan 0.000 0.533 172 F N -1.619 118.251 119.950 -0.133 0.000 2.711 172 F HA 0.779 5.309 4.527 0.005 0.000 0.313 172 F C -1.090 174.713 175.800 0.005 0.000 1.141 172 F CA -1.893 56.085 58.000 -0.037 0.000 0.941 172 F CB 0.895 39.920 39.000 0.041 0.000 1.349 172 F HN 0.009 nan 8.300 nan 0.000 0.464 173 N N 0.953 119.916 118.700 0.440 0.000 2.424 173 N HA 0.308 5.050 4.740 0.005 0.000 0.271 173 N C -1.584 174.252 175.510 0.543 0.000 0.985 173 N CA -0.570 52.774 53.050 0.490 0.000 0.921 173 N CB 0.550 39.283 38.487 0.410 0.000 1.149 173 N HN 0.630 nan 8.380 nan 0.000 0.492 174 Y N 3.180 123.711 120.300 0.385 0.000 2.712 174 Y HA 0.088 4.641 4.550 0.005 0.000 0.333 174 Y C -1.172 174.885 175.900 0.261 0.000 1.225 174 Y CA -0.952 57.286 58.100 0.229 0.000 1.499 174 Y CB 0.554 38.961 38.460 -0.088 0.000 1.288 174 Y HN 0.474 nan 8.280 nan 0.000 0.575 175 P HA 0.088 nan 4.420 nan 0.000 0.225 175 P C -0.729 176.582 177.300 0.019 0.000 1.768 175 P CA 0.131 63.286 63.100 0.092 0.000 0.943 175 P CB -0.426 31.040 31.700 -0.390 0.000 1.936 176 A N 1.413 124.146 122.820 -0.146 0.000 3.016 176 A HA 0.179 4.502 4.320 0.005 0.000 0.303 176 A C 1.189 178.403 177.584 -0.617 0.000 1.507 176 A CA -0.383 51.453 52.037 -0.334 0.000 1.196 176 A CB -0.358 18.438 19.000 -0.341 0.000 1.169 176 A HN 0.065 nan 8.150 nan 0.000 0.544 177 D N 0.895 121.110 120.400 -0.309 0.000 2.221 177 D HA -0.148 4.495 4.640 0.005 0.000 0.204 177 D C 1.128 177.265 176.300 -0.271 0.000 0.982 177 D CA 1.113 54.968 54.000 -0.243 0.000 0.857 177 D CB 0.132 40.855 40.800 -0.128 0.000 0.934 177 D HN 0.542 nan 8.370 nan 0.000 0.475 178 N N 0.977 119.394 118.700 -0.471 0.000 2.512 178 N HA -0.098 4.645 4.740 0.005 0.000 0.183 178 N C 0.245 175.421 175.510 -0.556 0.000 1.073 178 N CA 0.405 53.057 53.050 -0.664 0.000 0.911 178 N CB 0.132 37.683 38.487 -1.560 0.000 0.964 178 N HN 0.176 nan 8.380 nan 0.000 0.447 179 D N 0.843 121.033 120.400 -0.350 0.000 2.365 179 D HA 0.019 4.662 4.640 0.005 0.000 0.237 179 D C -0.555 175.795 176.300 0.083 0.000 1.190 179 D CA -0.226 53.685 54.000 -0.148 0.000 0.867 179 D CB -0.080 40.633 40.800 -0.145 0.000 1.050 179 D HN 0.250 nan 8.370 nan 0.000 0.491 180 H N 4.289 123.434 119.070 0.125 0.000 2.923 180 H HA 0.199 4.757 4.556 0.005 0.000 0.251 180 H C 0.028 175.479 175.328 0.205 0.000 1.741 180 H CA -0.308 55.809 56.048 0.115 0.000 1.387 180 H CB 0.143 29.925 29.762 0.033 0.000 1.740 180 H HN 0.333 nan 8.280 nan 0.000 0.544 181 H N 0.779 119.991 119.070 0.238 0.000 3.037 181 H HA -0.013 4.546 4.556 0.005 0.000 0.336 181 H C 0.497 175.864 175.328 0.065 0.000 1.323 181 H CA -0.470 55.658 56.048 0.134 0.000 1.159 181 H CB 1.717 31.555 29.762 0.127 0.000 1.882 181 H HN 0.552 nan 8.280 nan 0.000 0.535 182 E N 2.021 122.118 120.200 -0.171 0.000 2.110 182 E HA -0.067 4.286 4.350 0.005 0.000 0.193 182 E C -0.468 176.046 176.600 -0.144 0.000 0.988 182 E CA 0.884 57.213 56.400 -0.118 0.000 0.804 182 E CB 0.256 29.856 29.700 -0.167 0.000 0.745 182 E HN 0.358 nan 8.360 nan 0.000 0.458 183 K N 0.497 120.982 120.400 0.141 0.000 2.183 183 K HA 0.236 4.559 4.320 0.005 0.000 0.274 183 K C -1.052 175.413 176.600 -0.225 0.000 1.009 183 K CA -0.336 55.736 56.287 -0.357 0.000 0.888 183 K CB 1.096 33.205 32.500 -0.651 0.000 1.078 183 K HN 0.199 nan 8.250 nan 0.000 0.459 184 H N 3.399 122.416 119.070 -0.087 0.000 2.820 184 H HA 0.100 4.659 4.556 0.005 0.000 0.248 184 H C 0.763 176.056 175.328 -0.059 0.000 1.714 184 H CA -0.367 55.660 56.048 -0.034 0.000 1.334 184 H CB -0.004 29.776 29.762 0.029 0.000 1.693 184 H HN 0.376 nan 8.280 nan 0.000 0.548 185 L N 0.734 121.969 121.223 0.021 0.000 2.478 185 L HA -0.109 4.234 4.340 0.005 0.000 0.223 185 L C 2.340 179.189 176.870 -0.035 0.000 1.140 185 L CA 0.488 55.417 54.840 0.149 0.000 0.842 185 L CB -0.253 41.872 42.059 0.111 0.000 0.953 185 L HN 0.563 nan 8.230 nan 0.000 0.452 186 S N 0.471 115.878 115.700 -0.487 0.000 2.383 186 S HA -0.184 4.289 4.470 0.005 0.000 0.229 186 S C 1.927 176.299 174.600 -0.381 0.000 1.030 186 S CA 1.405 59.007 58.200 -0.997 0.000 1.002 186 S CB -1.112 61.417 63.200 -1.118 0.000 0.829 186 S HN 0.382 nan 8.310 nan 0.000 0.467 187 V N -2.107 117.547 119.914 -0.433 0.000 2.809 187 V HA 0.121 4.244 4.120 0.005 0.000 0.256 187 V C 1.978 177.830 176.094 -0.404 0.000 1.080 187 V CA 0.957 62.934 62.300 -0.538 0.000 1.102 187 V CB -1.469 29.668 31.823 -1.143 0.000 0.705 187 V HN 0.349 nan 8.190 nan 0.000 0.475 188 F N 1.409 121.324 119.950 -0.058 0.000 2.456 188 F HA 0.238 4.768 4.527 0.005 0.000 0.298 188 F C 1.436 177.422 175.800 0.310 0.000 1.104 188 F CA 0.426 58.458 58.000 0.053 0.000 1.435 188 F CB -0.376 38.659 39.000 0.059 0.000 1.078 188 F HN 0.098 nan 8.300 nan 0.000 0.546 189 S N 0.862 116.827 115.700 0.442 0.000 2.454 189 S HA 0.399 4.872 4.470 0.005 0.000 0.306 189 S C 0.089 174.881 174.600 0.320 0.000 1.100 189 S CA -0.855 57.597 58.200 0.421 0.000 1.087 189 S CB 1.206 64.666 63.200 0.432 0.000 1.019 189 S HN -0.060 nan 8.310 nan 0.000 0.480 190 R N 3.184 123.810 120.500 0.209 0.000 2.878 190 R HA 0.275 4.618 4.340 0.005 0.000 0.239 190 R C -0.037 176.122 176.300 -0.236 0.000 1.515 190 R CA 0.078 56.248 56.100 0.117 0.000 1.210 190 R CB -1.026 29.331 30.300 0.095 0.000 1.209 190 R HN 0.563 nan 8.270 nan 0.000 0.610 191 K N -0.314 120.011 120.400 -0.124 0.000 2.532 191 K HA 0.475 4.798 4.320 0.005 0.000 0.265 191 K C -1.056 175.569 176.600 0.042 0.000 0.948 191 K CA -0.734 55.378 56.287 -0.292 0.000 0.842 191 K CB 2.080 34.565 32.500 -0.024 0.000 1.392 191 K HN 0.339 nan 8.250 nan 0.000 0.436 192 A N 4.410 127.220 122.820 -0.016 0.000 2.563 192 A HA 0.118 4.441 4.320 0.005 0.000 0.256 192 A C -1.976 175.782 177.584 0.290 0.000 1.056 192 A CA -0.657 51.543 52.037 0.272 0.000 0.775 192 A CB -0.326 18.822 19.000 0.246 0.000 0.973 192 A HN 0.595 nan 8.150 nan 0.000 0.516 193 P HA -0.215 nan 4.420 nan 0.000 0.216 193 P C 1.227 178.743 177.300 0.360 0.000 1.150 193 P CA 1.919 65.183 63.100 0.274 0.000 0.837 193 P CB -0.131 31.658 31.700 0.148 0.000 0.786 194 Y N -0.506 119.855 120.300 0.102 0.000 2.421 194 Y HA -0.112 4.441 4.550 0.005 0.000 0.292 194 Y C 2.099 178.063 175.900 0.106 0.000 1.136 194 Y CA 1.004 59.178 58.100 0.123 0.000 1.255 194 Y CB -1.488 37.039 38.460 0.111 0.000 0.991 194 Y HN -0.043 nan 8.280 nan 0.000 0.552 195 S N -0.302 115.013 115.700 -0.642 0.000 2.419 195 S HA -0.273 4.200 4.470 0.005 0.000 0.235 195 S C 1.236 175.561 174.600 -0.458 0.000 1.019 195 S CA 1.192 58.949 58.200 -0.738 0.000 0.982 195 S CB -1.326 61.491 63.200 -0.637 0.000 0.789 195 S HN 0.689 nan 8.310 nan 0.000 0.490 196 Y N 2.682 122.844 120.300 -0.230 0.000 2.529 196 Y HA 0.422 4.975 4.550 0.005 0.000 0.290 196 Y C 1.556 177.310 175.900 -0.243 0.000 1.177 196 Y CA 0.154 58.158 58.100 -0.161 0.000 1.305 196 Y CB -0.303 38.112 38.460 -0.076 0.000 1.047 196 Y HN 0.608 nan 8.280 nan 0.000 0.522 197 G N -0.767 107.932 108.800 -0.168 0.000 2.570 197 G HA2 -0.065 3.898 3.960 0.005 0.000 0.686 197 G HA3 -0.065 3.898 3.960 0.005 0.000 0.686 197 G C -1.354 173.385 174.900 -0.268 0.000 1.257 197 G CA -0.741 44.130 45.100 -0.382 0.000 0.846 197 G HN 0.184 nan 8.290 nan 0.000 0.627 198 W N -0.151 120.841 121.300 -0.513 0.000 2.881 198 W HA 0.343 5.006 4.660 0.005 0.000 0.380 198 W C -0.073 176.255 176.519 -0.318 0.000 1.170 198 W CA 0.368 57.389 57.345 -0.540 0.000 1.171 198 W CB 1.034 29.870 29.460 -1.039 0.000 1.464 198 W HN 0.822 nan 8.180 nan 0.000 0.574 199 D N -0.538 119.544 120.400 -0.529 0.000 2.349 199 D HA -0.066 4.577 4.640 0.005 0.000 0.224 199 D C 0.995 177.449 176.300 0.257 0.000 1.029 199 D CA 0.661 54.620 54.000 -0.069 0.000 0.879 199 D CB -0.551 40.221 40.800 -0.047 0.000 0.906 199 D HN 0.424 nan 8.370 nan 0.000 0.528 200 W N -1.127 120.464 121.300 0.485 0.000 2.499 200 W HA 0.606 5.269 4.660 0.005 0.000 0.362 200 W C -0.176 176.640 176.519 0.494 0.000 0.945 200 W CA -0.871 56.701 57.345 0.379 0.000 1.721 200 W CB 0.267 29.926 29.460 0.333 0.000 1.156 200 W HN -0.011 nan 8.180 nan 0.000 0.547 201 G N 1.758 110.871 108.800 0.521 0.000 2.563 201 G HA2 0.533 4.496 3.960 0.005 0.000 0.302 201 G HA3 0.533 4.496 3.960 0.005 0.000 0.302 201 G C -1.448 173.331 174.900 -0.201 0.000 1.301 201 G CA -0.945 44.361 45.100 0.344 0.000 0.965 201 G HN 0.111 nan 8.290 nan 0.000 0.480 202 I N 0.578 120.504 120.570 -1.073 0.000 2.575 202 I HA 0.355 4.528 4.170 0.005 0.000 0.285 202 I C 0.743 176.564 176.117 -0.494 0.000 1.085 202 I CA -0.843 59.830 61.300 -1.046 0.000 1.403 202 I CB 0.743 37.747 38.000 -1.660 0.000 1.409 202 I HN 0.471 nan 8.210 nan 0.000 0.557 203 R N 8.220 128.545 120.500 -0.291 0.000 2.288 203 R HA 0.299 4.641 4.340 0.005 0.000 0.330 203 R C -1.115 174.995 176.300 -0.316 0.000 1.069 203 R CA 0.171 56.132 56.100 -0.232 0.000 0.941 203 R CB 0.256 30.514 30.300 -0.070 0.000 0.998 203 R HN 0.645 nan 8.270 nan 0.000 0.452 204 M N 5.659 125.002 119.600 -0.428 0.000 1.949 204 M HA 0.170 4.653 4.480 0.005 0.000 0.234 204 M C -0.967 174.979 176.300 -0.589 0.000 0.855 204 M CA -0.695 54.260 55.300 -0.575 0.000 0.800 204 M CB 2.000 34.187 32.600 -0.688 0.000 1.697 204 M HN 0.204 nan 8.290 nan 0.000 0.357 205 V N 1.544 121.180 119.914 -0.463 0.000 2.302 205 V HA 0.065 4.188 4.120 0.005 0.000 0.244 205 V C 0.795 176.715 176.094 -0.291 0.000 1.160 205 V CA 0.455 62.456 62.300 -0.497 0.000 1.127 205 V CB 0.072 31.573 31.823 -0.537 0.000 1.253 205 V HN 0.720 nan 8.190 nan 0.000 0.496 206 T N 3.459 117.812 114.554 -0.334 0.000 2.849 206 T HA 0.606 4.959 4.350 0.005 0.000 0.276 206 T C 0.085 174.650 174.700 -0.225 0.000 0.971 206 T CA -0.192 61.792 62.100 -0.194 0.000 0.949 206 T CB 1.341 70.064 68.868 -0.241 0.000 1.093 206 T HN 0.623 nan 8.240 nan 0.000 0.545 207 S N -0.900 114.630 115.700 -0.284 0.000 2.579 207 S HA 0.865 5.338 4.470 0.005 0.000 0.272 207 S C -0.300 173.918 174.600 -0.637 0.000 1.141 207 S CA -0.083 57.892 58.200 -0.376 0.000 0.843 207 S CB 1.729 64.781 63.200 -0.246 0.000 1.122 207 S HN 1.328 nan 8.310 nan 0.000 0.468 208 G N -0.220 107.990 108.800 -0.983 0.000 2.369 208 G HA2 0.201 4.164 3.960 0.005 0.000 0.295 208 G HA3 0.201 4.164 3.960 0.005 0.000 0.295 208 G C -1.749 172.830 174.900 -0.535 0.000 1.298 208 G CA -0.695 43.676 45.100 -1.214 0.000 0.940 208 G HN 0.859 nan 8.290 nan 0.000 0.536 209 V N 2.433 122.072 119.914 -0.457 0.000 2.313 209 V HA 0.215 4.338 4.120 0.005 0.000 0.252 209 V C 1.441 177.489 176.094 -0.077 0.000 1.112 209 V CA 0.290 62.515 62.300 -0.125 0.000 0.984 209 V CB -0.162 31.493 31.823 -0.280 0.000 1.157 209 V HN 0.799 nan 8.190 nan 0.000 0.493 210 W N 5.316 126.542 121.300 -0.124 0.000 3.003 210 W HA 0.285 4.947 4.660 0.005 0.000 0.257 210 W C 0.336 176.848 176.519 -0.013 0.000 1.308 210 W CA -0.483 56.810 57.345 -0.087 0.000 1.529 210 W CB 0.157 29.577 29.460 -0.068 0.000 1.115 210 W HN 0.357 nan 8.180 nan 0.000 0.659 211 R N -0.125 120.118 120.500 -0.427 0.000 2.869 211 R HA 0.436 4.779 4.340 0.005 0.000 0.263 211 R C -2.633 173.553 176.300 -0.191 0.000 1.066 211 R CA -1.972 53.886 56.100 -0.402 0.000 0.960 211 R CB 1.364 31.268 30.300 -0.659 0.000 1.221 211 R HN -0.383 nan 8.270 nan 0.000 0.474 212 P HA 0.139 nan 4.420 nan 0.000 0.274 212 P C -1.013 176.247 177.300 -0.065 0.000 1.246 212 P CA -0.432 62.622 63.100 -0.076 0.000 0.795 212 P CB 0.654 32.320 31.700 -0.057 0.000 1.006 213 V N 1.092 120.970 119.914 -0.060 0.000 2.417 213 V HA 0.535 4.658 4.120 0.005 0.000 0.291 213 V C 0.236 176.234 176.094 -0.159 0.000 1.024 213 V CA -0.354 61.845 62.300 -0.168 0.000 0.861 213 V CB 1.160 32.926 31.823 -0.094 0.000 0.985 213 V HN 0.694 nan 8.190 nan 0.000 0.436 214 T N 2.808 117.228 114.554 -0.222 0.000 2.893 214 T HA 0.764 5.117 4.350 0.005 0.000 0.291 214 T C -0.837 173.712 174.700 -0.252 0.000 1.028 214 T CA -0.730 61.262 62.100 -0.180 0.000 0.995 214 T CB 1.900 70.699 68.868 -0.114 0.000 1.051 214 T HN 0.365 nan 8.240 nan 0.000 0.470 215 L N 1.954 123.024 121.223 -0.255 0.000 2.305 215 L HA 0.571 4.914 4.340 0.005 0.000 0.284 215 L C 0.163 176.834 176.870 -0.332 0.000 1.013 215 L CA -0.855 53.766 54.840 -0.364 0.000 0.819 215 L CB 1.693 43.465 42.059 -0.478 0.000 1.227 215 L HN 0.662 nan 8.230 nan 0.000 0.417 216 R N 3.829 124.139 120.500 -0.317 0.000 2.343 216 R HA 0.457 4.800 4.340 0.005 0.000 0.320 216 R C -1.532 174.664 176.300 -0.173 0.000 0.956 216 R CA -0.521 55.491 56.100 -0.148 0.000 0.836 216 R CB 0.891 31.177 30.300 -0.023 0.000 1.151 216 R HN 0.305 nan 8.270 nan 0.000 0.450 217 F N 6.157 126.187 119.950 0.133 0.000 2.405 217 F HA 0.348 4.878 4.527 0.005 0.000 0.355 217 F C -0.221 175.666 175.800 0.146 0.000 1.121 217 F CA -0.520 57.532 58.000 0.086 0.000 1.112 217 F CB 0.757 39.776 39.000 0.032 0.000 1.126 217 F HN 0.453 nan 8.300 nan 0.000 0.481 218 Y N -0.485 119.895 120.300 0.133 0.000 2.655 218 Y HA 0.682 5.235 4.550 0.005 0.000 0.336 218 Y C -1.588 174.347 175.900 0.058 0.000 1.154 218 Y CA -1.621 56.524 58.100 0.075 0.000 1.055 218 Y CB 1.266 39.745 38.460 0.032 0.000 1.295 218 Y HN 0.336 nan 8.280 nan 0.000 0.465 219 D N 2.317 122.831 120.400 0.191 0.000 2.269 219 D HA 0.425 5.068 4.640 0.005 0.000 0.244 219 D C 0.703 177.121 176.300 0.197 0.000 0.992 219 D CA -0.123 53.929 54.000 0.087 0.000 0.894 219 D CB 2.074 42.910 40.800 0.060 0.000 1.248 219 D HN 0.752 nan 8.370 nan 0.000 0.468 220 I N -0.848 119.790 120.570 0.113 0.000 4.701 220 I HA -0.377 3.796 4.170 0.005 0.000 0.046 220 I C 0.513 176.751 176.117 0.201 0.000 0.626 220 I CA 1.718 63.090 61.300 0.120 0.000 0.723 220 I CB -1.975 36.073 38.000 0.080 0.000 0.675 220 I HN 0.662 nan 8.210 nan 0.000 0.157 221 A N 0.124 123.103 122.820 0.265 0.000 2.610 221 A HA 0.767 5.090 4.320 0.005 0.000 0.291 221 A C -0.162 177.364 177.584 -0.097 0.000 1.086 221 A CA 0.408 52.532 52.037 0.146 0.000 0.677 221 A CB 1.593 20.617 19.000 0.041 0.000 1.278 221 A HN 0.724 nan 8.150 nan 0.000 0.414 222 T N -1.353 113.039 114.554 -0.270 0.000 2.930 222 T HA 0.735 5.088 4.350 0.005 0.000 0.290 222 T C -0.487 174.105 174.700 -0.181 0.000 1.052 222 T CA -0.515 61.371 62.100 -0.355 0.000 1.017 222 T CB 1.026 69.558 68.868 -0.560 0.000 1.137 222 T HN 0.549 nan 8.240 nan 0.000 0.511 223 I N 3.030 123.511 120.570 -0.148 0.000 2.301 223 I HA 0.174 4.347 4.170 0.005 0.000 0.292 223 I C 1.557 177.635 176.117 -0.066 0.000 1.046 223 I CA -0.475 60.772 61.300 -0.088 0.000 1.282 223 I CB 1.387 39.341 38.000 -0.077 0.000 1.409 223 I HN 0.966 nan 8.210 nan 0.000 0.484 224 S N 2.888 118.560 115.700 -0.048 0.000 2.470 224 S HA 0.036 4.509 4.470 0.005 0.000 0.225 224 S C 0.276 174.884 174.600 0.013 0.000 1.006 224 S CA 0.135 58.319 58.200 -0.027 0.000 0.934 224 S CB -0.008 63.178 63.200 -0.025 0.000 0.778 224 S HN 0.721 nan 8.310 nan 0.000 0.517 225 D N -1.008 119.422 120.400 0.051 0.000 2.803 225 D HA 0.445 5.088 4.640 0.005 0.000 0.218 225 D C -2.197 174.241 176.300 0.231 0.000 1.245 225 D CA -0.555 53.513 54.000 0.113 0.000 0.821 225 D CB 1.406 42.261 40.800 0.092 0.000 1.626 225 D HN 0.110 nan 8.370 nan 0.000 0.487 226 Y N 3.884 124.268 120.300 0.141 0.000 2.327 226 Y HA 0.485 5.037 4.550 0.005 0.000 0.325 226 Y C -2.294 173.790 175.900 0.307 0.000 0.999 226 Y CA -1.235 56.985 58.100 0.199 0.000 1.195 226 Y CB 0.634 39.173 38.460 0.132 0.000 1.132 226 Y HN 0.392 nan 8.280 nan 0.000 0.455 227 Y N 6.432 126.804 120.300 0.119 0.000 2.334 227 Y HA 0.605 5.158 4.550 0.005 0.000 0.336 227 Y C -1.372 174.421 175.900 -0.178 0.000 0.960 227 Y CA -1.767 56.259 58.100 -0.123 0.000 1.164 227 Y CB 1.229 39.672 38.460 -0.029 0.000 1.155 227 Y HN 0.350 nan 8.280 nan 0.000 0.478 228 V N 8.287 127.940 119.914 -0.436 0.000 2.322 228 V HA 0.336 4.459 4.120 0.005 0.000 0.258 228 V C 0.300 175.988 176.094 -0.676 0.000 1.074 228 V CA -0.516 61.462 62.300 -0.536 0.000 0.909 228 V CB 0.091 31.482 31.823 -0.721 0.000 1.090 228 V HN 0.632 nan 8.190 nan 0.000 0.486 229 R N 4.175 124.211 120.500 -0.773 0.000 2.202 229 R HA 0.257 4.600 4.340 0.005 0.000 0.334 229 R C 0.093 176.175 176.300 -0.364 0.000 1.036 229 R CA -0.384 55.252 56.100 -0.773 0.000 0.878 229 R CB 0.797 30.575 30.300 -0.870 0.000 1.067 229 R HN 0.768 nan 8.270 nan 0.000 0.457 230 Q N 4.991 124.632 119.800 -0.265 0.000 2.296 230 Q HA 0.063 4.405 4.340 0.005 0.000 0.263 230 Q C 0.379 176.313 176.000 -0.110 0.000 1.026 230 Q CA -0.088 55.618 55.803 -0.162 0.000 0.912 230 Q CB 0.926 29.583 28.738 -0.134 0.000 1.198 230 Q HN 0.749 nan 8.270 nan 0.000 0.407 231 L N 2.371 123.542 121.223 -0.086 0.000 2.162 231 L HA 0.107 4.450 4.340 0.005 0.000 0.205 231 L C 0.578 177.426 176.870 -0.037 0.000 1.086 231 L CA 0.385 55.190 54.840 -0.059 0.000 0.778 231 L CB -0.005 42.023 42.059 -0.051 0.000 0.928 231 L HN 0.688 nan 8.230 nan 0.000 0.446 232 S N -0.885 114.796 115.700 -0.031 0.000 2.567 232 S HA 0.622 5.095 4.470 0.005 0.000 0.270 232 S C -1.351 173.243 174.600 -0.011 0.000 1.152 232 S CA -0.839 57.351 58.200 -0.016 0.000 0.835 232 S CB 2.416 65.610 63.200 -0.010 0.000 1.115 232 S HN -0.015 nan 8.310 nan 0.000 0.459 233 L N 1.700 122.924 121.223 0.002 0.000 2.516 233 L HA 0.814 5.156 4.340 0.005 0.000 0.267 233 L C -0.486 176.398 176.870 0.024 0.000 0.957 233 L CA 0.380 55.228 54.840 0.014 0.000 0.860 233 L CB 1.806 43.878 42.059 0.022 0.000 1.265 233 L HN 1.247 nan 8.230 nan 0.000 0.403 234 T N -0.779 113.789 114.554 0.024 0.000 2.864 234 T HA 0.451 4.804 4.350 0.005 0.000 0.289 234 T C 0.372 175.093 174.700 0.034 0.000 1.082 234 T CA -0.550 61.567 62.100 0.028 0.000 1.009 234 T CB 1.305 70.185 68.868 0.020 0.000 1.234 234 T HN 0.450 nan 8.240 nan 0.000 0.526 235 D N 0.455 120.875 120.400 0.035 0.000 2.190 235 D HA -0.080 4.563 4.640 0.005 0.000 0.200 235 D C 1.652 177.974 176.300 0.036 0.000 0.992 235 D CA 1.448 55.471 54.000 0.038 0.000 0.854 235 D CB -0.028 40.790 40.800 0.031 0.000 0.936 235 D HN 0.692 nan 8.370 nan 0.000 0.462 236 E N -0.439 119.777 120.200 0.028 0.000 2.170 236 E HA 0.060 4.413 4.350 0.005 0.000 0.191 236 E C 0.271 176.884 176.600 0.022 0.000 0.981 236 E CA 0.442 56.857 56.400 0.024 0.000 0.830 236 E CB 0.230 29.940 29.700 0.018 0.000 0.775 236 E HN 0.060 nan 8.360 nan 0.000 0.470 237 N N -1.071 117.641 118.700 0.020 0.000 2.431 237 N HA 0.476 5.218 4.740 0.005 0.000 0.275 237 N C -1.993 173.522 175.510 0.007 0.000 1.091 237 N CA -0.325 52.733 53.050 0.012 0.000 0.922 237 N CB 1.585 40.076 38.487 0.007 0.000 1.666 237 N HN -0.013 nan 8.380 nan 0.000 0.484 238 A N 2.677 125.495 122.820 -0.004 0.000 2.288 238 A HA 0.707 5.029 4.320 0.005 0.000 0.320 238 A C -0.464 177.111 177.584 -0.016 0.000 1.217 238 A CA -0.537 51.491 52.037 -0.015 0.000 0.840 238 A CB 0.493 19.471 19.000 -0.036 0.000 1.179 238 A HN 0.641 nan 8.150 nan 0.000 0.504 239 R N 2.392 122.882 120.500 -0.017 0.000 2.295 239 R HA 0.546 4.889 4.340 0.005 0.000 0.324 239 R C -1.072 175.212 176.300 -0.026 0.000 0.968 239 R CA -0.600 55.490 56.100 -0.016 0.000 0.837 239 R CB 1.129 31.419 30.300 -0.017 0.000 1.133 239 R HN 0.485 nan 8.270 nan 0.000 0.450 240 L N 1.015 122.234 121.223 -0.007 0.000 2.333 240 L HA 0.486 4.829 4.340 0.005 0.000 0.269 240 L C 0.198 177.056 176.870 -0.020 0.000 1.010 240 L CA -0.490 54.337 54.840 -0.022 0.000 0.818 240 L CB 1.755 43.854 42.059 0.067 0.000 1.306 240 L HN 0.513 nan 8.230 nan 0.000 0.430 241 S N 1.884 117.540 115.700 -0.074 0.000 2.640 241 S HA 0.430 4.903 4.470 0.005 0.000 0.320 241 S C -0.559 174.013 174.600 -0.046 0.000 1.097 241 S CA -0.709 57.459 58.200 -0.055 0.000 1.092 241 S CB 0.152 63.296 63.200 -0.092 0.000 0.988 241 S HN 0.574 nan 8.310 nan 0.000 0.470 242 N N 4.744 123.488 118.700 0.073 0.000 2.402 242 N HA 0.110 4.853 4.740 0.005 0.000 0.252 242 N C -0.679 174.933 175.510 0.169 0.000 1.118 242 N CA 0.047 53.223 53.050 0.210 0.000 0.945 242 N CB 0.778 39.448 38.487 0.306 0.000 1.147 242 N HN 0.698 nan 8.380 nan 0.000 0.495 243 E N 2.679 122.985 120.200 0.178 0.000 2.115 243 E HA 0.324 4.677 4.350 0.005 0.000 0.282 243 E C -0.434 176.337 176.600 0.284 0.000 0.987 243 E CA -0.414 56.102 56.400 0.194 0.000 0.797 243 E CB 1.404 31.221 29.700 0.194 0.000 1.086 243 E HN 0.305 nan 8.360 nan 0.000 0.397 244 L N 4.065 125.396 121.223 0.181 0.000 2.346 244 L HA 0.533 4.876 4.340 0.005 0.000 0.274 244 L C -0.364 176.556 176.870 0.084 0.000 1.007 244 L CA -0.591 54.324 54.840 0.124 0.000 0.818 244 L CB 1.521 43.579 42.059 -0.002 0.000 1.284 244 L HN 0.430 nan 8.230 nan 0.000 0.424 245 I N 3.228 123.829 120.570 0.051 0.000 2.382 245 I HA 0.412 4.585 4.170 0.005 0.000 0.286 245 I C -0.890 175.182 176.117 -0.075 0.000 1.002 245 I CA -0.708 60.556 61.300 -0.059 0.000 1.135 245 I CB 1.872 39.866 38.000 -0.011 0.000 1.288 245 I HN 0.183 nan 8.210 nan 0.000 0.448 246 V N 5.302 125.146 119.914 -0.116 0.000 2.409 246 V HA 0.321 4.444 4.120 0.005 0.000 0.291 246 V C -0.266 175.778 176.094 -0.083 0.000 1.020 246 V CA -0.684 61.564 62.300 -0.087 0.000 0.848 246 V CB 1.873 33.654 31.823 -0.071 0.000 0.990 246 V HN 0.661 nan 8.190 nan 0.000 0.430 247 N N 4.033 122.696 118.700 -0.062 0.000 2.546 247 N HA 0.178 4.921 4.740 0.005 0.000 0.238 247 N C -0.404 175.116 175.510 0.016 0.000 0.984 247 N CA -0.216 52.816 53.050 -0.029 0.000 0.935 247 N CB 1.053 39.528 38.487 -0.020 0.000 1.122 247 N HN 0.686 nan 8.380 nan 0.000 0.510 248 Q N 3.840 123.655 119.800 0.025 0.000 2.279 248 Q HA 0.208 4.551 4.340 0.005 0.000 0.256 248 Q C 0.092 176.137 176.000 0.074 0.000 0.937 248 Q CA -0.166 55.670 55.803 0.056 0.000 0.933 248 Q CB 1.193 29.948 28.738 0.029 0.000 1.189 248 Q HN 0.723 nan 8.270 nan 0.000 0.417 249 I N 4.218 124.855 120.570 0.113 0.000 3.956 249 I HA -0.008 4.165 4.170 0.005 0.000 0.333 249 I C 0.168 176.309 176.117 0.039 0.000 1.302 249 I CA 0.168 61.523 61.300 0.092 0.000 1.122 249 I CB 0.879 38.964 38.000 0.142 0.000 1.013 249 I HN 0.428 nan 8.210 nan 0.000 0.405 250 V N -2.677 117.257 119.914 0.034 0.000 2.834 250 V HA 0.546 4.669 4.120 0.005 0.000 0.313 250 V C -2.014 174.090 176.094 0.017 0.000 1.060 250 V CA -1.377 60.932 62.300 0.016 0.000 0.989 250 V CB 0.726 32.556 31.823 0.013 0.000 1.041 250 V HN -0.090 nan 8.190 nan 0.000 0.459 251 P HA 0.135 nan 4.420 nan 0.000 0.231 251 P C -0.078 177.229 177.300 0.011 0.000 1.168 251 P CA 0.562 63.669 63.100 0.012 0.000 0.779 251 P CB 0.152 31.858 31.700 0.009 0.000 0.844 252 Q N 0.034 119.841 119.800 0.011 0.000 2.260 252 Q HA 0.314 4.657 4.340 0.005 0.000 0.238 252 Q C -0.074 175.933 176.000 0.011 0.000 0.948 252 Q CA -0.314 55.495 55.803 0.010 0.000 0.895 252 Q CB 0.497 29.240 28.738 0.008 0.000 1.218 252 Q HN -0.058 nan 8.270 nan 0.000 0.470 253 K N 1.077 121.483 120.400 0.010 0.000 2.298 253 K HA 0.306 4.629 4.320 0.005 0.000 0.280 253 K C -0.628 175.978 176.600 0.009 0.000 1.032 253 K CA 0.012 56.305 56.287 0.010 0.000 0.958 253 K CB 0.592 33.097 32.500 0.008 0.000 0.978 253 K HN 0.404 nan 8.250 nan 0.000 0.472 254 I N 5.120 125.695 120.570 0.009 0.000 2.476 254 I HA 0.225 4.398 4.170 0.005 0.000 0.281 254 I C -2.432 173.689 176.117 0.007 0.000 1.040 254 I CA -2.948 58.358 61.300 0.009 0.000 1.094 254 I CB 1.212 39.221 38.000 0.014 0.000 1.219 254 I HN 0.306 nan 8.210 nan 0.000 0.450 255 P HA 0.228 nan 4.420 nan 0.000 0.265 255 P C -0.483 176.817 177.300 0.001 0.000 1.193 255 P CA 0.189 63.290 63.100 0.003 0.000 0.765 255 P CB 0.905 32.606 31.700 0.002 0.000 0.823 256 A N 2.022 124.840 122.820 -0.002 0.000 2.587 256 A HA 0.603 4.926 4.320 0.005 0.000 0.293 256 A C -1.232 176.346 177.584 -0.009 0.000 1.087 256 A CA -0.567 51.467 52.037 -0.005 0.000 0.692 256 A CB 1.429 20.425 19.000 -0.007 0.000 1.291 256 A HN 0.487 nan 8.150 nan 0.000 0.407 257 E N 0.887 121.079 120.200 -0.014 0.000 2.176 257 E HA 0.566 4.919 4.350 0.005 0.000 0.267 257 E C -1.477 175.106 176.600 -0.027 0.000 0.893 257 E CA -0.555 55.835 56.400 -0.017 0.000 0.761 257 E CB 1.644 31.334 29.700 -0.016 0.000 1.133 257 E HN 0.443 nan 8.360 nan 0.000 0.409 258 V N 5.437 125.332 119.914 -0.032 0.000 2.432 258 V HA 0.403 4.526 4.120 0.005 0.000 0.275 258 V C 0.112 176.176 176.094 -0.050 0.000 1.043 258 V CA -0.356 61.915 62.300 -0.049 0.000 0.925 258 V CB 0.903 32.696 31.823 -0.052 0.000 0.985 258 V HN 0.644 nan 8.190 nan 0.000 0.466 259 R N 3.612 124.073 120.500 -0.064 0.000 2.621 259 R HA 0.768 5.111 4.340 0.005 0.000 0.292 259 R C -1.640 174.614 176.300 -0.078 0.000 0.969 259 R CA -0.805 55.261 56.100 -0.058 0.000 0.887 259 R CB 2.340 32.612 30.300 -0.046 0.000 1.180 259 R HN 0.448 nan 8.270 nan 0.000 0.450 260 V N 2.693 122.570 119.914 -0.061 0.000 2.448 260 V HA 0.284 4.407 4.120 0.005 0.000 0.295 260 V C -0.273 175.783 176.094 -0.063 0.000 1.025 260 V CA -0.890 61.378 62.300 -0.053 0.000 0.859 260 V CB 1.690 33.511 31.823 -0.002 0.000 0.988 260 V HN 0.696 nan 8.190 nan 0.000 0.431 261 N N 3.892 122.552 118.700 -0.066 0.000 2.392 261 N HA 0.450 5.193 4.740 0.005 0.000 0.283 261 N C -1.332 174.076 175.510 -0.171 0.000 1.003 261 N CA -0.234 52.761 53.050 -0.091 0.000 0.892 261 N CB 2.172 40.628 38.487 -0.051 0.000 1.193 261 N HN 0.385 nan 8.380 nan 0.000 0.487 262 V N 2.466 122.226 119.914 -0.257 0.000 2.347 262 V HA 0.407 4.530 4.120 0.005 0.000 0.280 262 V C 0.045 176.061 176.094 -0.129 0.000 1.021 262 V CA -0.468 61.587 62.300 -0.407 0.000 0.847 262 V CB 1.014 32.444 31.823 -0.655 0.000 0.990 262 V HN 0.629 nan 8.190 nan 0.000 0.444 263 S N 4.565 120.249 115.700 -0.026 0.000 2.599 263 S HA 0.826 5.299 4.470 0.005 0.000 0.294 263 S C -1.173 173.468 174.600 0.068 0.000 1.094 263 S CA -0.539 57.681 58.200 0.033 0.000 0.931 263 S CB 2.012 65.221 63.200 0.016 0.000 1.093 263 S HN 0.495 nan 8.310 nan 0.000 0.488 264 L N 3.080 124.305 121.223 0.002 0.000 2.406 264 L HA 0.539 4.882 4.340 0.005 0.000 0.272 264 L C 0.399 177.234 176.870 -0.059 0.000 0.980 264 L CA 0.135 54.914 54.840 -0.101 0.000 0.831 264 L CB 0.706 42.638 42.059 -0.212 0.000 1.253 264 L HN 0.887 nan 8.230 nan 0.000 0.406 265 N N 3.748 122.418 118.700 -0.050 0.000 2.714 265 N HA -0.236 4.507 4.740 0.005 0.000 0.250 265 N C 0.879 176.381 175.510 -0.013 0.000 1.117 265 N CA 1.024 54.056 53.050 -0.029 0.000 0.719 265 N CB -0.330 38.134 38.487 -0.038 0.000 1.081 265 N HN 1.232 nan 8.380 nan 0.000 0.557 266 G N -2.172 106.625 108.800 -0.005 0.000 2.176 266 G HA2 -0.235 3.728 3.960 0.005 0.000 0.232 266 G HA3 -0.235 3.728 3.960 0.005 0.000 0.232 266 G C 0.000 174.900 174.900 -0.001 0.000 0.986 266 G CA 0.519 45.620 45.100 0.001 0.000 0.643 266 G HN 0.421 nan 8.290 nan 0.000 0.522 267 T N 1.990 116.542 114.554 -0.003 0.000 2.786 267 T HA 0.550 4.903 4.350 0.005 0.000 0.283 267 T C 0.367 175.069 174.700 0.003 0.000 0.992 267 T CA 0.122 62.221 62.100 -0.001 0.000 0.954 267 T CB 1.574 70.441 68.868 -0.002 0.000 0.934 267 T HN 0.230 nan 8.240 nan 0.000 0.440 268 T N 2.989 117.543 114.554 -0.001 0.000 2.908 268 T HA 0.100 4.453 4.350 0.005 0.000 0.301 268 T C 1.329 176.032 174.700 0.004 0.000 1.019 268 T CA -0.123 61.973 62.100 -0.006 0.000 1.152 268 T CB 0.618 69.477 68.868 -0.014 0.000 0.966 268 T HN 0.361 nan 8.240 nan 0.000 0.540 269 V N 2.065 121.983 119.914 0.006 0.000 2.806 269 V HA 0.251 4.374 4.120 0.005 0.000 0.239 269 V C 1.112 177.200 176.094 -0.009 0.000 1.113 269 V CA 0.688 63.005 62.300 0.027 0.000 1.137 269 V CB 0.938 32.824 31.823 0.104 0.000 0.865 269 V HN 0.944 nan 8.190 nan 0.000 0.482 270 T N -0.445 114.078 114.554 -0.052 0.000 2.889 270 T HA 0.545 4.898 4.350 0.005 0.000 0.315 270 T C -1.884 172.765 174.700 -0.085 0.000 1.291 270 T CA -0.429 61.632 62.100 -0.065 0.000 1.028 270 T CB 2.300 71.127 68.868 -0.068 0.000 1.235 270 T HN 0.314 nan 8.240 nan 0.000 0.491 271 E N 1.797 121.961 120.200 -0.060 0.000 2.290 271 E HA 0.627 4.980 4.350 0.005 0.000 0.274 271 E C -1.241 175.334 176.600 -0.042 0.000 0.889 271 E CA -0.843 55.523 56.400 -0.056 0.000 0.760 271 E CB 1.915 31.590 29.700 -0.042 0.000 1.206 271 E HN 0.683 nan 8.360 nan 0.000 0.419 272 V N 0.779 120.669 119.914 -0.040 0.000 3.040 272 V HA 0.812 4.935 4.120 0.005 0.000 0.312 272 V C -1.232 174.846 176.094 -0.027 0.000 1.115 272 V CA -0.828 61.455 62.300 -0.027 0.000 0.998 272 V CB 1.832 33.643 31.823 -0.019 0.000 1.042 272 V HN 0.749 nan 8.190 nan 0.000 0.433 273 K N 1.714 122.102 120.400 -0.021 0.000 2.536 273 K HA 0.741 5.064 4.320 0.005 0.000 0.269 273 K C -1.553 175.038 176.600 -0.016 0.000 0.965 273 K CA -0.824 55.450 56.287 -0.022 0.000 0.860 273 K CB 2.762 35.249 32.500 -0.021 0.000 1.423 273 K HN 0.842 nan 8.250 nan 0.000 0.438 274 Q N 1.538 121.328 119.800 -0.017 0.000 2.284 274 Q HA 0.151 4.494 4.340 0.005 0.000 0.269 274 Q C -1.308 174.686 176.000 -0.011 0.000 1.026 274 Q CA -0.743 55.054 55.803 -0.011 0.000 0.831 274 Q CB 2.218 30.951 28.738 -0.009 0.000 1.322 274 Q HN 0.569 nan 8.270 nan 0.000 0.419 275 Q N 1.839 121.634 119.800 -0.007 0.000 2.288 275 Q HA 0.477 4.819 4.340 0.005 0.000 0.254 275 Q C -0.102 175.896 176.000 -0.004 0.000 0.932 275 Q CA -0.190 55.609 55.803 -0.006 0.000 0.902 275 Q CB 1.582 30.317 28.738 -0.004 0.000 1.203 275 Q HN 0.529 nan 8.270 nan 0.000 0.415 276 V N -1.444 118.468 119.914 -0.004 0.000 3.188 276 V HA 0.753 4.876 4.120 0.005 0.000 0.305 276 V C -0.590 175.504 176.094 0.000 0.000 1.232 276 V CA -0.892 61.407 62.300 -0.001 0.000 1.043 276 V CB 2.317 34.139 31.823 -0.002 0.000 1.068 276 V HN 0.653 nan 8.190 nan 0.000 0.439 277 T N 3.367 117.923 114.554 0.003 0.000 2.815 277 T HA 0.611 4.964 4.350 0.005 0.000 0.289 277 T C -0.367 174.336 174.700 0.004 0.000 1.000 277 T CA -0.248 61.854 62.100 0.004 0.000 0.958 277 T CB 0.845 69.716 68.868 0.005 0.000 0.944 277 T HN 0.664 nan 8.240 nan 0.000 0.442 278 L N 3.924 125.149 121.223 0.003 0.000 2.319 278 L HA 0.316 4.658 4.340 0.005 0.000 0.280 278 L C 0.668 177.542 176.870 0.007 0.000 1.099 278 L CA -0.797 54.045 54.840 0.002 0.000 0.828 278 L CB 0.582 42.642 42.059 0.001 0.000 1.150 278 L HN 0.404 nan 8.230 nan 0.000 0.442 279 Q N 3.662 123.466 119.800 0.006 0.000 2.260 279 Q HA 0.382 4.725 4.340 0.005 0.000 0.242 279 Q C -2.242 173.765 176.000 0.011 0.000 0.932 279 Q CA -2.157 53.652 55.803 0.010 0.000 0.891 279 Q CB 0.688 29.433 28.738 0.012 0.000 1.222 279 Q HN 0.292 nan 8.270 nan 0.000 0.453 280 P HA 0.050 nan 4.420 nan 0.000 0.265 280 P C 0.325 177.635 177.300 0.016 0.000 1.187 280 P CA 1.285 64.396 63.100 0.018 0.000 0.766 280 P CB 0.324 32.035 31.700 0.018 0.000 0.820 281 G N 2.618 111.429 108.800 0.019 0.000 2.527 281 G HA2 -0.188 3.775 3.960 0.005 0.000 0.227 281 G HA3 -0.188 3.775 3.960 0.005 0.000 0.227 281 G C -0.802 174.091 174.900 -0.010 0.000 1.291 281 G CA -0.844 44.263 45.100 0.012 0.000 0.904 281 G HN 0.479 nan 8.290 nan 0.000 0.577 282 I N 2.471 123.026 120.570 -0.025 0.000 2.474 282 I HA 0.287 4.460 4.170 0.005 0.000 0.287 282 I C 0.500 176.539 176.117 -0.130 0.000 1.048 282 I CA -0.307 60.936 61.300 -0.094 0.000 1.383 282 I CB 0.555 38.496 38.000 -0.097 0.000 1.412 282 I HN 0.470 nan 8.210 nan 0.000 0.531 283 N N 5.752 124.330 118.700 -0.203 0.000 2.284 283 N HA 0.344 5.087 4.740 0.005 0.000 0.300 283 N C -0.782 174.532 175.510 -0.326 0.000 1.047 283 N CA -0.629 52.320 53.050 -0.169 0.000 0.821 283 N CB 2.024 40.468 38.487 -0.071 0.000 1.337 283 N HN 0.486 nan 8.380 nan 0.000 0.482 284 H N 1.940 121.022 119.070 0.020 0.000 2.476 284 H HA 0.460 5.019 4.556 0.005 0.000 0.328 284 H C -0.390 174.949 175.328 0.019 0.000 1.073 284 H CA -0.148 55.916 56.048 0.026 0.000 1.229 284 H CB 1.709 31.487 29.762 0.026 0.000 1.432 284 H HN 0.400 nan 8.280 nan 0.000 0.477 285 I N 2.202 122.838 120.570 0.110 0.000 2.533 285 I HA 0.150 4.323 4.170 0.005 0.000 0.290 285 I C -0.200 175.960 176.117 0.071 0.000 1.056 285 I CA -0.207 61.129 61.300 0.061 0.000 1.057 285 I CB 2.228 40.237 38.000 0.015 0.000 1.240 285 I HN 0.416 nan 8.210 nan 0.000 0.423 286 T N 7.093 121.679 114.554 0.053 0.000 2.864 286 T HA 0.607 4.960 4.350 0.005 0.000 0.299 286 T C -0.772 173.946 174.700 0.030 0.000 1.011 286 T CA -0.377 61.751 62.100 0.047 0.000 0.975 286 T CB 0.787 69.677 68.868 0.036 0.000 0.962 286 T HN 0.095 nan 8.240 nan 0.000 0.448 287 L N 6.140 127.385 121.223 0.035 0.000 2.343 287 L HA 0.485 4.828 4.340 0.005 0.000 0.278 287 L C -2.380 174.511 176.870 0.035 0.000 0.996 287 L CA -2.078 52.778 54.840 0.026 0.000 0.831 287 L CB 1.351 43.421 42.059 0.018 0.000 1.232 287 L HN 0.322 nan 8.230 nan 0.000 0.413 288 P HA 0.463 nan 4.420 nan 0.000 0.271 288 P C -1.050 176.264 177.300 0.023 0.000 1.218 288 P CA -0.343 62.767 63.100 0.017 0.000 0.780 288 P CB 1.225 32.927 31.700 0.003 0.000 0.901 289 A N 1.875 124.715 122.820 0.033 0.000 2.572 289 A HA 0.642 4.965 4.320 0.005 0.000 0.295 289 A C -1.183 176.410 177.584 0.015 0.000 1.072 289 A CA -0.580 51.469 52.037 0.020 0.000 0.691 289 A CB 1.472 20.488 19.000 0.026 0.000 1.291 289 A HN 0.520 nan 8.150 nan 0.000 0.404 290 E N 0.151 120.346 120.200 -0.009 0.000 2.317 290 E HA 0.573 4.926 4.350 0.005 0.000 0.270 290 E C -1.529 175.052 176.600 -0.032 0.000 0.885 290 E CA -0.967 55.426 56.400 -0.012 0.000 0.760 290 E CB 2.651 32.346 29.700 -0.009 0.000 1.227 290 E HN 0.304 nan 8.360 nan 0.000 0.434 291 V N 2.180 122.070 119.914 -0.039 0.000 2.350 291 V HA 0.201 4.324 4.120 0.005 0.000 0.285 291 V C 0.150 176.239 176.094 -0.009 0.000 1.014 291 V CA -0.802 61.469 62.300 -0.049 0.000 0.831 291 V CB 1.150 32.883 31.823 -0.151 0.000 1.000 291 V HN 0.838 nan 8.190 nan 0.000 0.433 292 T N 1.447 116.008 114.554 0.011 0.000 2.918 292 T HA 0.234 4.587 4.350 0.005 0.000 0.302 292 T C 0.484 175.211 174.700 0.045 0.000 1.045 292 T CA -0.274 61.840 62.100 0.023 0.000 1.114 292 T CB -0.132 68.748 68.868 0.020 0.000 0.965 292 T HN 0.784 nan 8.240 nan 0.000 0.540 293 N N 1.089 119.816 118.700 0.044 0.000 2.686 293 N HA -0.127 4.616 4.740 0.005 0.000 0.261 293 N C -2.550 173.016 175.510 0.093 0.000 1.001 293 N CA 0.159 53.245 53.050 0.059 0.000 0.764 293 N CB -1.066 37.453 38.487 0.052 0.000 0.898 293 N HN 0.628 nan 8.380 nan 0.000 0.544 294 P HA 0.020 nan 4.420 nan 0.000 0.268 294 P C -0.115 177.311 177.300 0.209 0.000 1.205 294 P CA -0.017 63.178 63.100 0.158 0.000 0.771 294 P CB 0.841 32.591 31.700 0.083 0.000 0.858 295 V N 5.030 125.144 119.914 0.333 0.000 2.372 295 V HA 0.162 4.285 4.120 0.005 0.000 0.261 295 V C 1.294 177.570 176.094 0.304 0.000 1.055 295 V CA -0.298 62.151 62.300 0.247 0.000 0.930 295 V CB -0.506 31.407 31.823 0.150 0.000 1.031 295 V HN 0.466 nan 8.190 nan 0.000 0.479 296 R N 3.073 123.706 120.500 0.222 0.000 2.590 296 R HA 0.080 4.423 4.340 0.005 0.000 0.274 296 R C -0.322 176.150 176.300 0.287 0.000 1.061 296 R CA -0.315 55.935 56.100 0.251 0.000 1.081 296 R CB 0.793 31.209 30.300 0.195 0.000 0.984 296 R HN 0.770 nan 8.270 nan 0.000 0.448 297 W N 5.000 126.380 121.300 0.134 0.000 2.356 297 W HA 0.109 4.772 4.660 0.004 0.000 0.311 297 W C -0.759 175.830 176.519 0.116 0.000 1.328 297 W CA -0.262 57.151 57.345 0.112 0.000 1.251 297 W CB 0.611 30.132 29.460 0.101 0.000 1.280 297 W HN 0.258 nan 8.180 nan 0.000 0.524 298 M N 9.300 128.723 119.600 -0.295 0.000 2.472 298 M HA 0.366 4.849 4.480 0.005 0.000 0.331 298 M C -1.987 173.854 176.300 -0.766 0.000 1.170 298 M CA -2.598 52.542 55.300 -0.266 0.000 1.009 298 M CB 1.463 34.049 32.600 -0.024 0.000 1.672 298 M HN 0.278 nan 8.290 nan 0.000 0.453 299 P HA 0.089 nan 4.420 nan 0.000 0.274 299 P C -0.602 176.487 177.300 -0.351 0.000 1.237 299 P CA -0.421 62.366 63.100 -0.521 0.000 0.793 299 P CB 0.293 31.786 31.700 -0.344 0.000 0.977 300 N N 0.531 119.050 118.700 -0.301 0.000 2.359 300 N HA 0.133 4.876 4.740 0.005 0.000 0.261 300 N C 1.397 176.806 175.510 -0.169 0.000 1.267 300 N CA 2.118 55.056 53.050 -0.186 0.000 0.864 300 N CB -0.628 37.782 38.487 -0.127 0.000 1.063 300 N HN 0.757 nan 8.380 nan 0.000 0.474 301 G N 2.440 111.203 108.800 -0.061 0.000 2.232 301 G HA2 -0.222 3.741 3.960 0.005 0.000 0.226 301 G HA3 -0.222 3.741 3.960 0.005 0.000 0.226 301 G C 0.314 175.356 174.900 0.237 0.000 0.996 301 G CA 0.155 45.270 45.100 0.026 0.000 0.626 301 G HN 0.574 nan 8.290 nan 0.000 0.509 302 W N 1.278 122.536 121.300 -0.070 0.000 2.870 302 W HA 0.591 5.256 4.660 0.008 0.000 0.358 302 W C 1.193 177.669 176.519 -0.072 0.000 1.043 302 W CA 0.408 57.720 57.345 -0.056 0.000 1.692 302 W CB 0.523 29.953 29.460 -0.050 0.000 1.100 302 W HN 1.091 nan 8.180 nan 0.000 0.557 303 G N -0.337 108.529 108.800 0.110 0.000 2.334 303 G HA2 0.086 4.049 3.960 0.005 0.000 0.249 303 G HA3 0.086 4.049 3.960 0.005 0.000 0.249 303 G C -0.956 173.910 174.900 -0.057 0.000 1.327 303 G CA -0.824 44.289 45.100 0.021 0.000 0.979 303 G HN -0.275 nan 8.290 nan 0.000 0.471 304 T N 3.167 117.680 114.554 -0.068 0.000 2.845 304 T HA 0.582 4.935 4.350 0.005 0.000 0.288 304 T C -2.205 172.375 174.700 -0.201 0.000 0.980 304 T CA -0.756 61.284 62.100 -0.100 0.000 1.071 304 T CB 2.022 70.862 68.868 -0.046 0.000 0.941 304 T HN 0.423 nan 8.240 nan 0.000 0.487 305 P HA 0.156 nan 4.420 nan 0.000 0.212 305 P C -0.301 176.990 177.300 -0.016 0.000 1.816 305 P CA -0.447 62.344 63.100 -0.515 0.000 0.944 305 P CB -0.847 30.612 31.700 -0.401 0.000 1.896 306 T N 2.328 116.919 114.554 0.062 0.000 2.871 306 T HA 0.104 4.457 4.350 0.005 0.000 0.296 306 T C 0.468 175.343 174.700 0.292 0.000 0.998 306 T CA 0.681 62.861 62.100 0.133 0.000 1.162 306 T CB 0.071 68.989 68.868 0.085 0.000 0.947 306 T HN 0.175 nan 8.240 nan 0.000 0.536 307 L N 3.972 125.299 121.223 0.174 0.000 2.343 307 L HA 0.437 4.779 4.340 0.005 0.000 0.278 307 L C -0.382 176.561 176.870 0.121 0.000 0.996 307 L CA -1.080 53.888 54.840 0.213 0.000 0.831 307 L CB 1.022 43.193 42.059 0.186 0.000 1.232 307 L HN 0.629 nan 8.230 nan 0.000 0.413 308 Y N 1.379 121.799 120.300 0.201 0.000 2.379 308 Y HA 0.063 4.616 4.550 0.004 0.000 0.337 308 Y C 0.527 176.588 175.900 0.268 0.000 1.238 308 Y CA 0.024 58.270 58.100 0.243 0.000 1.405 308 Y CB 0.642 39.348 38.460 0.410 0.000 1.310 308 Y HN 0.451 nan 8.280 nan 0.000 0.569 309 D N 2.646 123.254 120.400 0.345 0.000 2.329 309 D HA 0.181 4.824 4.640 0.005 0.000 0.232 309 D C -1.248 175.237 176.300 0.308 0.000 1.088 309 D CA -0.126 54.048 54.000 0.289 0.000 0.835 309 D CB 0.774 41.662 40.800 0.146 0.000 1.078 309 D HN 0.211 nan 8.370 nan 0.000 0.495 310 F N 1.218 121.257 119.950 0.148 0.000 2.388 310 F HA 0.202 4.732 4.527 0.004 0.000 0.358 310 F C 0.791 176.729 175.800 0.229 0.000 1.122 310 F CA -0.599 57.511 58.000 0.183 0.000 1.056 310 F CB 1.716 40.821 39.000 0.174 0.000 1.155 310 F HN 0.019 nan 8.300 nan 0.000 0.461 311 S N 3.213 119.062 115.700 0.249 0.000 2.519 311 S HA 0.864 5.337 4.470 0.005 0.000 0.309 311 S C -0.755 173.858 174.600 0.022 0.000 1.100 311 S CA -0.481 57.806 58.200 0.145 0.000 1.059 311 S CB 0.776 64.007 63.200 0.053 0.000 1.008 311 S HN 0.742 nan 8.310 nan 0.000 0.478 312 A N 4.571 127.303 122.820 -0.146 0.000 2.318 312 A HA 0.747 5.069 4.320 0.005 0.000 0.324 312 A C -0.546 176.911 177.584 -0.212 0.000 1.170 312 A CA -0.642 51.194 52.037 -0.336 0.000 0.810 312 A CB 0.902 19.376 19.000 -0.877 0.000 1.198 312 A HN 0.840 nan 8.150 nan 0.000 0.484 313 Q N 1.363 121.074 119.800 -0.148 0.000 2.394 313 Q HA 0.528 4.871 4.340 0.005 0.000 0.273 313 Q C -1.153 174.794 176.000 -0.089 0.000 1.089 313 Q CA -0.847 54.897 55.803 -0.099 0.000 0.812 313 Q CB 2.530 31.231 28.738 -0.062 0.000 1.353 313 Q HN 0.621 nan 8.270 nan 0.000 0.438 314 I N 1.779 122.308 120.570 -0.070 0.000 2.312 314 I HA 0.494 4.667 4.170 0.005 0.000 0.290 314 I C -0.321 175.779 176.117 -0.028 0.000 1.008 314 I CA -0.501 60.770 61.300 -0.049 0.000 1.226 314 I CB 0.643 38.616 38.000 -0.045 0.000 1.371 314 I HN 0.601 nan 8.210 nan 0.000 0.468 315 A N 6.226 129.032 122.820 -0.024 0.000 2.288 315 A HA 0.590 4.912 4.320 0.005 0.000 0.320 315 A C -0.550 177.030 177.584 -0.007 0.000 1.217 315 A CA -0.342 51.688 52.037 -0.013 0.000 0.840 315 A CB 0.687 19.678 19.000 -0.015 0.000 1.179 315 A HN 0.766 nan 8.150 nan 0.000 0.504 316 C N 3.316 122.616 119.300 0.001 0.000 2.301 316 C HA 0.637 5.099 4.460 0.005 0.000 0.313 316 C C 1.408 176.400 174.990 0.004 0.000 1.121 316 C CA -0.278 58.742 59.018 0.004 0.000 1.507 316 C CB -0.448 27.299 27.740 0.011 0.000 1.975 316 C HN 1.366 nan 8.230 nan 0.000 0.425 320 I N 4.476 125.049 120.570 0.005 0.000 2.281 320 I HA 0.072 4.245 4.170 0.005 0.000 0.293 320 I C 1.859 177.982 176.117 0.010 0.000 1.085 320 I CA -0.552 60.748 61.300 -0.001 0.000 1.257 320 I CB 0.895 38.891 38.000 -0.006 0.000 1.430 320 I HN 0.695 nan 8.210 nan 0.000 0.489 321 V N 3.374 123.297 119.914 0.014 0.000 2.719 321 V HA 0.356 4.479 4.120 0.005 0.000 0.252 321 V C 0.863 176.973 176.094 0.026 0.000 1.065 321 V CA 0.800 63.123 62.300 0.038 0.000 1.086 321 V CB -0.382 31.474 31.823 0.055 0.000 0.700 321 V HN 0.706 nan 8.190 nan 0.000 0.467 322 A N -0.343 122.470 122.820 -0.011 0.000 2.547 322 A HA 0.776 5.099 4.320 0.005 0.000 0.297 322 A C -0.957 176.592 177.584 -0.059 0.000 1.056 322 A CA -0.457 51.552 52.037 -0.047 0.000 0.688 322 A CB 2.050 21.004 19.000 -0.077 0.000 1.282 322 A HN 0.274 nan 8.150 nan 0.000 0.400 323 E N 0.787 120.948 120.200 -0.065 0.000 2.366 323 E HA 0.583 4.936 4.350 0.005 0.000 0.278 323 E C -1.886 174.671 176.600 -0.072 0.000 0.923 323 E CA -0.302 56.055 56.400 -0.071 0.000 0.761 323 E CB 2.258 31.931 29.700 -0.045 0.000 1.231 323 E HN 0.702 nan 8.360 nan 0.000 0.443 324 Q N 1.267 121.018 119.800 -0.081 0.000 2.284 324 Q HA 0.501 4.844 4.340 0.005 0.000 0.269 324 Q C -1.915 174.090 176.000 0.009 0.000 1.026 324 Q CA -0.356 55.412 55.803 -0.058 0.000 0.831 324 Q CB 2.027 30.741 28.738 -0.041 0.000 1.322 324 Q HN 0.341 nan 8.270 nan 0.000 0.419 325 S N 2.671 118.342 115.700 -0.049 0.000 2.568 325 S HA 0.722 5.195 4.470 0.005 0.000 0.302 325 S C -1.411 173.058 174.600 -0.219 0.000 1.082 325 S CA -0.640 57.566 58.200 0.010 0.000 1.009 325 S CB 0.851 64.070 63.200 0.031 0.000 1.069 325 S HN 0.574 nan 8.310 nan 0.000 0.500 326 H N 1.212 120.347 119.070 0.108 0.000 2.806 326 H HA 0.364 4.923 4.556 0.005 0.000 0.367 326 H C -0.537 174.801 175.328 0.016 0.000 1.136 326 H CA -0.663 55.355 56.048 -0.049 0.000 1.178 326 H CB 1.323 30.927 29.762 -0.262 0.000 1.718 326 H HN 0.440 nan 8.280 nan 0.000 0.540 327 R N 2.223 122.795 120.500 0.121 0.000 2.389 327 R HA 0.342 4.685 4.340 0.005 0.000 0.295 327 R C -0.190 176.116 176.300 0.010 0.000 1.075 327 R CA -0.378 55.787 56.100 0.110 0.000 1.005 327 R CB 0.771 31.127 30.300 0.094 0.000 0.987 327 R HN 0.323 nan 8.270 nan 0.000 0.452 328 I N 1.653 122.257 120.570 0.056 0.000 2.466 328 I HA 0.295 4.468 4.170 0.005 0.000 0.289 328 I C 0.482 176.622 176.117 0.038 0.000 1.026 328 I CA -0.515 60.712 61.300 -0.122 0.000 1.078 328 I CB 1.783 39.480 38.000 -0.505 0.000 1.249 328 I HN 0.683 nan 8.210 nan 0.000 0.429 329 G N 6.698 115.429 108.800 -0.115 0.000 2.368 329 G HA2 0.638 4.601 3.960 0.005 0.000 0.320 329 G HA3 0.638 4.601 3.960 0.005 0.000 0.320 329 G C -0.711 174.180 174.900 -0.013 0.000 1.158 329 G CA -0.480 44.600 45.100 -0.034 0.000 0.912 329 G HN 0.471 nan 8.290 nan 0.000 0.456 330 L N 4.271 125.605 121.223 0.185 0.000 2.259 330 L HA 0.615 4.958 4.340 0.005 0.000 0.288 330 L C 0.272 177.249 176.870 0.179 0.000 1.051 330 L CA -0.840 54.066 54.840 0.110 0.000 0.824 330 L CB 0.393 42.511 42.059 0.098 0.000 1.206 330 L HN 0.620 nan 8.230 nan 0.000 0.429 331 R N 1.709 122.278 120.500 0.114 0.000 2.712 331 R HA 0.463 4.806 4.340 0.005 0.000 0.272 331 R C -1.183 175.176 176.300 0.099 0.000 1.032 331 R CA -0.730 55.474 56.100 0.175 0.000 0.874 331 R CB 1.063 31.570 30.300 0.344 0.000 1.256 331 R HN 0.367 nan 8.270 nan 0.000 0.468 332 T N -0.552 114.075 114.554 0.122 0.000 2.824 332 T HA 0.736 5.089 4.350 0.005 0.000 0.280 332 T C 0.346 175.119 174.700 0.123 0.000 0.995 332 T CA -0.760 61.394 62.100 0.090 0.000 1.009 332 T CB 0.856 69.769 68.868 0.076 0.000 0.955 332 T HN 0.476 nan 8.240 nan 0.000 0.452 333 I N 2.489 123.112 120.570 0.089 0.000 2.439 333 I HA 0.455 4.628 4.170 0.005 0.000 0.285 333 I C 0.003 176.145 176.117 0.042 0.000 1.021 333 I CA -0.861 60.503 61.300 0.108 0.000 1.091 333 I CB 1.988 40.061 38.000 0.123 0.000 1.242 333 I HN 0.587 nan 8.210 nan 0.000 0.439 334 R N 5.754 126.255 120.500 0.002 0.000 2.387 334 R HA 0.650 4.992 4.340 0.005 0.000 0.314 334 R C -1.451 174.646 176.300 -0.340 0.000 0.958 334 R CA -0.534 55.490 56.100 -0.127 0.000 0.846 334 R CB 1.835 32.070 30.300 -0.109 0.000 1.147 334 R HN 0.419 nan 8.270 nan 0.000 0.447 335 V N 5.470 125.029 119.914 -0.592 0.000 2.406 335 V HA 0.228 4.351 4.120 0.005 0.000 0.272 335 V C -0.137 175.300 176.094 -1.094 0.000 1.043 335 V CA -0.646 60.935 62.300 -1.199 0.000 0.915 335 V CB 1.423 32.054 31.823 -1.987 0.000 0.988 335 V HN 0.493 nan 8.190 nan 0.000 0.466 336 V N 5.419 124.651 119.914 -1.137 0.000 2.350 336 V HA 0.381 4.504 4.120 0.005 0.000 0.276 336 V C 0.356 175.953 176.094 -0.829 0.000 1.028 336 V CA -0.351 61.393 62.300 -0.927 0.000 0.860 336 V CB 1.028 32.102 31.823 -1.249 0.000 0.990 336 V HN 0.967 nan 8.190 nan 0.000 0.453 337 N N 4.469 122.859 118.700 -0.516 0.000 2.727 337 N HA 0.318 5.061 4.740 0.005 0.000 0.252 337 N C -0.928 174.540 175.510 -0.069 0.000 1.283 337 N CA -0.312 52.583 53.050 -0.259 0.000 0.782 337 N CB 1.138 39.472 38.487 -0.255 0.000 1.199 337 N HN 0.764 nan 8.380 nan 0.000 0.520 338 E N 1.725 121.914 120.200 -0.018 0.000 2.266 338 E HA 0.289 4.641 4.350 0.005 0.000 0.268 338 E C -0.676 175.969 176.600 0.075 0.000 0.879 338 E CA -0.967 55.447 56.400 0.024 0.000 0.762 338 E CB 2.269 31.973 29.700 0.008 0.000 1.199 338 E HN 0.228 nan 8.360 nan 0.000 0.422 339 K N 2.678 123.124 120.400 0.077 0.000 2.524 339 K HA 0.007 4.330 4.320 0.005 0.000 0.279 339 K C -0.339 176.309 176.600 0.081 0.000 0.993 339 K CA 0.807 57.146 56.287 0.086 0.000 1.030 339 K CB 0.119 32.663 32.500 0.073 0.000 0.891 339 K HN 0.604 nan 8.250 nan 0.000 0.488 340 D N -0.200 120.252 120.400 0.087 0.000 2.677 340 D HA 0.072 4.714 4.640 0.005 0.000 0.298 340 D C 0.353 176.705 176.300 0.086 0.000 1.250 340 D CA -0.881 53.170 54.000 0.085 0.000 0.888 340 D CB 0.256 41.111 40.800 0.092 0.000 1.397 340 D HN 0.296 nan 8.370 nan 0.000 0.461 341 K N -0.899 119.554 120.400 0.088 0.000 2.280 341 K HA -0.075 4.247 4.320 0.005 0.000 0.202 341 K C 0.224 176.893 176.600 0.115 0.000 1.047 341 K CA 1.219 57.561 56.287 0.093 0.000 0.942 341 K CB -0.181 32.373 32.500 0.090 0.000 0.739 341 K HN 0.209 nan 8.250 nan 0.000 0.457 342 D N 0.080 120.555 120.400 0.125 0.000 2.350 342 D HA 0.113 4.756 4.640 0.005 0.000 0.213 342 D C 1.058 177.437 176.300 0.132 0.000 1.031 342 D CA 0.981 55.080 54.000 0.166 0.000 0.861 342 D CB 1.165 42.073 40.800 0.180 0.000 0.926 342 D HN 0.511 nan 8.370 nan 0.000 0.520 343 G N 0.747 109.609 108.800 0.104 0.000 1.781 343 G HA2 -0.112 3.850 3.960 0.005 0.000 0.082 343 G HA3 -0.112 3.850 3.960 0.005 0.000 0.082 343 G C -1.099 173.869 174.900 0.113 0.000 0.919 343 G CA -0.717 44.447 45.100 0.106 0.000 1.202 343 G HN 0.168 nan 8.290 nan 0.000 0.393 344 E N 1.006 121.283 120.200 0.129 0.000 2.241 344 E HA 0.539 4.892 4.350 0.005 0.000 0.263 344 E C -0.090 176.619 176.600 0.182 0.000 0.882 344 E CA -0.177 56.326 56.400 0.172 0.000 0.769 344 E CB 2.133 31.993 29.700 0.266 0.000 1.185 344 E HN 0.708 nan 8.360 nan 0.000 0.415 345 S N 2.129 117.930 115.700 0.169 0.000 2.608 345 S HA 0.441 4.914 4.470 0.005 0.000 0.261 345 S C -0.283 174.483 174.600 0.277 0.000 1.314 345 S CA -0.415 57.912 58.200 0.211 0.000 0.992 345 S CB 0.601 63.963 63.200 0.269 0.000 0.935 345 S HN 0.517 nan 8.310 nan 0.000 0.564 346 F N 2.452 122.478 119.950 0.127 0.000 3.287 346 F HA 0.474 5.004 4.527 0.005 0.000 0.379 346 F C -1.322 174.513 175.800 0.059 0.000 1.268 346 F CA -0.647 57.332 58.000 -0.036 0.000 1.220 346 F CB 0.742 39.756 39.000 0.022 0.000 1.687 346 F HN 0.834 nan 8.300 nan 0.000 0.648 347 Y N 2.199 122.257 120.300 -0.403 0.000 2.670 347 Y HA 0.773 5.325 4.550 0.004 0.000 0.334 347 Y C -2.158 173.475 175.900 -0.445 0.000 1.185 347 Y CA -2.267 55.733 58.100 -0.167 0.000 1.053 347 Y CB 1.156 39.665 38.460 0.081 0.000 1.298 347 Y HN 0.206 nan 8.280 nan 0.000 0.459 348 F N 1.188 121.187 119.950 0.081 0.000 2.436 348 F HA 0.477 5.007 4.527 0.004 0.000 0.340 348 F C -0.094 175.802 175.800 0.161 0.000 1.113 348 F CA -0.572 57.409 58.000 -0.032 0.000 1.022 348 F CB 2.008 41.016 39.000 0.013 0.000 1.128 348 F HN 0.543 nan 8.300 nan 0.000 0.466 349 E N 2.548 122.881 120.200 0.221 0.000 2.129 349 E HA 0.538 4.891 4.350 0.005 0.000 0.268 349 E C -1.481 175.273 176.600 0.257 0.000 0.900 349 E CA -0.525 56.035 56.400 0.266 0.000 0.755 349 E CB 1.498 31.290 29.700 0.153 0.000 1.117 349 E HN 0.362 nan 8.360 nan 0.000 0.410 350 V N 5.260 125.383 119.914 0.349 0.000 2.409 350 V HA 0.200 4.323 4.120 0.005 0.000 0.291 350 V C 0.001 176.307 176.094 0.353 0.000 1.020 350 V CA -0.972 61.539 62.300 0.353 0.000 0.848 350 V CB 1.477 33.517 31.823 0.362 0.000 0.990 350 V HN 0.833 nan 8.190 nan 0.000 0.430 351 N N 4.004 122.857 118.700 0.256 0.000 2.721 351 N HA -0.222 4.521 4.740 0.005 0.000 0.249 351 N C 1.215 176.809 175.510 0.141 0.000 1.072 351 N CA 1.514 54.678 53.050 0.189 0.000 0.710 351 N CB -1.037 37.569 38.487 0.199 0.000 0.993 351 N HN 1.546 nan 8.380 nan 0.000 0.547 352 G N -1.453 107.432 108.800 0.142 0.000 2.184 352 G HA2 -0.322 3.641 3.960 0.005 0.000 0.264 352 G HA3 -0.322 3.641 3.960 0.005 0.000 0.264 352 G C 0.061 175.038 174.900 0.128 0.000 0.975 352 G CA 0.550 45.717 45.100 0.113 0.000 0.642 352 G HN 0.519 nan 8.290 nan 0.000 0.536 353 I N 1.580 122.260 120.570 0.183 0.000 2.362 353 I HA 0.383 4.556 4.170 0.005 0.000 0.289 353 I C -2.290 174.056 176.117 0.382 0.000 0.994 353 I CA -2.722 58.689 61.300 0.185 0.000 1.158 353 I CB 2.120 40.090 38.000 -0.050 0.000 1.315 353 I HN -0.214 nan 8.210 nan 0.000 0.451 354 P HA 0.053 nan 4.420 nan 0.000 0.263 354 P C -0.714 176.882 177.300 0.493 0.000 1.195 354 P CA 0.072 63.408 63.100 0.393 0.000 0.762 354 P CB 0.457 32.263 31.700 0.177 0.000 0.799 355 M N 5.468 125.337 119.600 0.448 0.000 2.078 355 M HA 0.358 4.840 4.480 0.005 0.000 0.320 355 M C -1.120 175.305 176.300 0.208 0.000 0.969 355 M CA -1.135 54.319 55.300 0.256 0.000 0.929 355 M CB 0.567 33.074 32.600 -0.156 0.000 1.504 355 M HN 0.142 nan 8.290 nan 0.000 0.419 356 F N 4.337 124.334 119.950 0.077 0.000 2.541 356 F HA 0.411 4.941 4.527 0.004 0.000 0.378 356 F C 0.183 175.931 175.800 -0.087 0.000 1.068 356 F CA -0.098 57.925 58.000 0.038 0.000 1.199 356 F CB 0.537 39.551 39.000 0.024 0.000 1.091 356 F HN 0.675 nan 8.300 nan 0.000 0.555 357 A N 7.072 129.698 122.820 -0.323 0.000 2.363 357 A HA 0.485 4.808 4.320 0.005 0.000 0.270 357 A C -0.585 176.786 177.584 -0.355 0.000 1.121 357 A CA -0.577 51.295 52.037 -0.275 0.000 0.800 357 A CB 0.355 19.305 19.000 -0.083 0.000 1.052 357 A HN 0.817 nan 8.150 nan 0.000 0.493 358 K N 1.888 122.040 120.400 -0.414 0.000 2.578 358 K HA 0.604 4.927 4.320 0.005 0.000 0.250 358 K C 0.072 176.238 176.600 -0.723 0.000 0.955 358 K CA -0.108 55.661 56.287 -0.863 0.000 0.825 358 K CB 2.176 33.852 32.500 -1.374 0.000 1.151 358 K HN 1.033 nan 8.250 nan 0.000 0.432 359 G N 1.056 109.608 108.800 -0.413 0.000 2.474 359 G HA2 0.746 4.708 3.960 0.005 0.000 0.234 359 G HA3 0.746 4.708 3.960 0.005 0.000 0.234 359 G C -1.778 172.984 174.900 -0.231 0.000 1.204 359 G CA -0.115 44.858 45.100 -0.213 0.000 0.939 359 G HN 0.650 nan 8.290 nan 0.000 0.491 360 A N -0.979 121.611 122.820 -0.383 0.000 2.601 360 A HA 0.716 5.039 4.320 0.005 0.000 0.291 360 A C -1.331 176.014 177.584 -0.397 0.000 1.075 360 A CA -0.714 50.922 52.037 -0.668 0.000 0.671 360 A CB 0.871 19.222 19.000 -1.081 0.000 1.277 360 A HN 0.567 nan 8.150 nan 0.000 0.417 361 N N 0.884 119.342 118.700 -0.403 0.000 2.458 361 N HA 0.288 5.031 4.740 0.005 0.000 0.270 361 N C -1.380 173.982 175.510 -0.247 0.000 1.102 361 N CA 0.322 53.206 53.050 -0.275 0.000 0.967 361 N CB 1.142 39.450 38.487 -0.298 0.000 1.078 361 N HN 0.636 nan 8.380 nan 0.000 0.471 362 Y N 3.903 124.055 120.300 -0.247 0.000 2.323 362 Y HA 0.454 5.007 4.550 0.005 0.000 0.331 362 Y C 0.023 175.776 175.900 -0.245 0.000 1.092 362 Y CA -0.798 57.158 58.100 -0.241 0.000 1.150 362 Y CB 0.590 38.973 38.460 -0.128 0.000 1.200 362 Y HN 0.440 nan 8.280 nan 0.000 0.472 363 I N 3.823 123.756 120.570 -1.063 0.000 3.023 363 I HA 0.738 4.910 4.170 0.005 0.000 0.312 363 I C -2.810 172.586 176.117 -1.201 0.000 1.056 363 I CA -3.262 57.470 61.300 -0.947 0.000 1.033 363 I CB 1.933 39.225 38.000 -1.181 0.000 1.233 363 I HN 0.378 nan 8.210 nan 0.000 0.462 364 P HA 0.079 nan 4.420 nan 0.000 0.267 364 P C -0.614 176.387 177.300 -0.498 0.000 1.200 364 P CA 0.118 62.859 63.100 -0.598 0.000 0.772 364 P CB 0.421 31.662 31.700 -0.764 0.000 0.855 365 Q N 0.302 119.938 119.800 -0.275 0.000 2.403 365 Q HA 0.065 4.408 4.340 0.005 0.000 0.203 365 Q C 0.115 176.128 176.000 0.022 0.000 0.932 365 Q CA 0.729 56.419 55.803 -0.188 0.000 0.945 365 Q CB 0.308 28.935 28.738 -0.184 0.000 1.045 365 Q HN 0.497 nan 8.270 nan 0.000 0.511 366 D N -2.212 118.250 120.400 0.103 0.000 2.706 366 D HA 0.211 4.854 4.640 0.005 0.000 0.225 366 D C -0.280 176.210 176.300 0.316 0.000 1.241 366 D CA -0.038 54.135 54.000 0.289 0.000 0.784 366 D CB 1.479 42.466 40.800 0.312 0.000 1.521 366 D HN -0.058 nan 8.370 nan 0.000 0.461 367 A N 2.680 125.700 122.820 0.332 0.000 1.986 367 A HA -0.048 4.275 4.320 0.005 0.000 0.220 367 A C 1.095 178.735 177.584 0.093 0.000 1.171 367 A CA 1.088 53.255 52.037 0.217 0.000 0.640 367 A CB -0.204 18.897 19.000 0.169 0.000 0.811 367 A HN 0.498 nan 8.150 nan 0.000 0.451 368 L N 0.511 121.815 121.223 0.134 0.000 2.313 368 L HA 0.282 4.625 4.340 0.005 0.000 0.273 368 L C 0.656 177.609 176.870 0.138 0.000 1.028 368 L CA -0.538 54.334 54.840 0.054 0.000 0.871 368 L CB 1.208 43.263 42.059 -0.008 0.000 1.242 368 L HN 0.240 nan 8.230 nan 0.000 0.434 369 L N 3.320 124.645 121.223 0.169 0.000 2.013 369 L HA -0.169 4.174 4.340 0.005 0.000 0.212 369 L C -0.399 176.643 176.870 0.287 0.000 1.073 369 L CA 1.666 56.669 54.840 0.272 0.000 0.753 369 L CB -1.250 41.030 42.059 0.368 0.000 0.890 369 L HN 0.525 nan 8.230 nan 0.000 0.432 370 P HA -0.069 nan 4.420 nan 0.000 0.230 370 P C 0.791 178.177 177.300 0.143 0.000 1.158 370 P CA 0.920 64.130 63.100 0.184 0.000 0.769 370 P CB -0.086 31.680 31.700 0.109 0.000 0.807 371 N N -0.773 118.007 118.700 0.133 0.000 2.381 371 N HA -0.043 4.700 4.740 0.005 0.000 0.182 371 N C 0.122 175.710 175.510 0.131 0.000 1.025 371 N CA 0.458 53.580 53.050 0.120 0.000 0.888 371 N CB -0.607 37.954 38.487 0.124 0.000 0.965 371 N HN 0.022 nan 8.380 nan 0.000 0.438 372 V N 2.202 122.208 119.914 0.154 0.000 2.446 372 V HA 0.071 4.194 4.120 0.005 0.000 0.276 372 V C 0.884 177.104 176.094 0.211 0.000 1.030 372 V CA -0.278 62.090 62.300 0.113 0.000 1.033 372 V CB 0.170 32.011 31.823 0.029 0.000 0.993 372 V HN 0.263 nan 8.190 nan 0.000 0.477 373 T N 1.173 115.825 114.554 0.164 0.000 2.881 373 T HA 0.197 4.550 4.350 0.005 0.000 0.278 373 T C 1.333 176.212 174.700 0.300 0.000 0.982 373 T CA -0.031 62.186 62.100 0.195 0.000 0.989 373 T CB 1.306 70.248 68.868 0.122 0.000 1.058 373 T HN 0.533 nan 8.240 nan 0.000 0.529 374 T N 0.324 115.018 114.554 0.233 0.000 2.665 374 T HA -0.158 4.195 4.350 0.005 0.000 0.268 374 T C 1.708 176.533 174.700 0.208 0.000 1.035 374 T CA 1.880 64.108 62.100 0.212 0.000 1.151 374 T CB -0.489 68.445 68.868 0.109 0.000 0.862 374 T HN 0.834 nan 8.240 nan 0.000 0.438 375 E N 0.789 121.076 120.200 0.145 0.000 2.085 375 E HA -0.208 4.145 4.350 0.005 0.000 0.194 375 E C 2.437 179.106 176.600 0.116 0.000 0.994 375 E CA 1.126 57.593 56.400 0.111 0.000 0.801 375 E CB -0.024 29.724 29.700 0.080 0.000 0.743 375 E HN 0.414 nan 8.360 nan 0.000 0.453 376 R N -0.870 119.693 120.500 0.104 0.000 2.081 376 R HA -0.149 4.194 4.340 0.005 0.000 0.235 376 R C 2.358 178.685 176.300 0.044 0.000 1.131 376 R CA 1.696 57.815 56.100 0.031 0.000 0.960 376 R CB -0.381 29.892 30.300 -0.044 0.000 0.856 376 R HN 0.291 nan 8.270 nan 0.000 0.436 377 Y N 1.172 121.543 120.300 0.118 0.000 2.128 377 Y HA -0.271 4.282 4.550 0.005 0.000 0.284 377 Y C 2.541 178.547 175.900 0.177 0.000 1.154 377 Y CA 1.666 59.866 58.100 0.166 0.000 1.149 377 Y CB -0.247 38.309 38.460 0.160 0.000 0.976 377 Y HN 0.138 nan 8.280 nan 0.000 0.505 378 Q N -0.946 119.017 119.800 0.272 0.000 2.084 378 Q HA -0.164 4.178 4.340 0.005 0.000 0.202 378 Q C 2.172 178.273 176.000 0.168 0.000 0.978 378 Q CA 2.029 57.943 55.803 0.185 0.000 0.844 378 Q CB -0.426 28.380 28.738 0.113 0.000 0.898 378 Q HN 0.416 nan 8.270 nan 0.000 0.426 379 T N 1.484 116.113 114.554 0.126 0.000 2.720 379 T HA -0.149 4.204 4.350 0.005 0.000 0.268 379 T C 1.688 176.432 174.700 0.074 0.000 1.037 379 T CA 0.927 63.083 62.100 0.092 0.000 1.144 379 T CB -0.252 68.654 68.868 0.064 0.000 0.864 379 T HN 0.080 nan 8.240 nan 0.000 0.444 380 L N 0.306 121.550 121.223 0.035 0.000 2.083 380 L HA 0.072 4.415 4.340 0.005 0.000 0.209 380 L C 1.894 178.647 176.870 -0.196 0.000 1.083 380 L CA 1.535 56.319 54.840 -0.093 0.000 0.752 380 L CB -0.997 40.986 42.059 -0.128 0.000 0.899 380 L HN 0.211 nan 8.230 nan 0.000 0.433 381 F N -0.555 119.355 119.950 -0.066 0.000 2.206 381 F HA -0.104 4.426 4.527 0.004 0.000 0.298 381 F C 2.706 178.491 175.800 -0.025 0.000 1.090 381 F CA 1.384 59.325 58.000 -0.099 0.000 1.323 381 F CB -0.363 38.544 39.000 -0.155 0.000 1.028 381 F HN 0.053 nan 8.300 nan 0.000 0.492 382 R N 0.709 121.307 120.500 0.164 0.000 2.091 382 R HA -0.183 4.160 4.340 0.005 0.000 0.238 382 R C 1.706 178.113 176.300 0.178 0.000 1.136 382 R CA 2.152 58.341 56.100 0.149 0.000 0.959 382 R CB -0.453 29.927 30.300 0.133 0.000 0.856 382 R HN 0.163 nan 8.270 nan 0.000 0.437 383 D N 0.255 120.746 120.400 0.152 0.000 2.149 383 D HA -0.199 4.444 4.640 0.005 0.000 0.198 383 D C 1.971 178.352 176.300 0.135 0.000 0.990 383 D CA 1.493 55.596 54.000 0.171 0.000 0.839 383 D CB -0.147 40.577 40.800 -0.127 0.000 0.948 383 D HN 0.387 nan 8.370 nan 0.000 0.460 384 M N 0.197 119.801 119.600 0.007 0.000 2.123 384 M HA -0.099 4.384 4.480 0.005 0.000 0.263 384 M C 2.273 178.600 176.300 0.045 0.000 1.069 384 M CA 1.027 56.317 55.300 -0.017 0.000 1.133 384 M CB -0.109 32.377 32.600 -0.190 0.000 1.356 384 M HN -0.131 nan 8.290 nan 0.000 0.415 385 K N 0.741 121.184 120.400 0.072 0.000 2.032 385 K HA -0.195 4.128 4.320 0.005 0.000 0.209 385 K C 1.648 178.318 176.600 0.117 0.000 1.048 385 K CA 1.640 57.977 56.287 0.083 0.000 0.927 385 K CB -0.004 32.551 32.500 0.092 0.000 0.712 385 K HN 0.345 nan 8.250 nan 0.000 0.441 386 E N -0.609 119.703 120.200 0.187 0.000 2.268 386 E HA -0.110 4.243 4.350 0.005 0.000 0.195 386 E C 1.198 177.955 176.600 0.262 0.000 0.995 386 E CA 0.662 57.213 56.400 0.251 0.000 0.836 386 E CB 0.095 30.015 29.700 0.366 0.000 0.763 386 E HN 0.346 nan 8.360 nan 0.000 0.491 387 A N 1.168 124.101 122.820 0.189 0.000 2.302 387 A HA 0.002 4.325 4.320 0.005 0.000 0.219 387 A C 0.169 177.839 177.584 0.144 0.000 1.243 387 A CA -0.121 51.955 52.037 0.066 0.000 0.856 387 A CB -0.131 18.731 19.000 -0.230 0.000 0.893 387 A HN 0.217 nan 8.150 nan 0.000 0.491 388 N N -1.317 117.457 118.700 0.123 0.000 2.741 388 N HA -0.156 4.587 4.740 0.005 0.000 0.251 388 N C -0.177 175.334 175.510 0.001 0.000 1.112 388 N CA 1.298 54.402 53.050 0.090 0.000 0.750 388 N CB -1.686 36.886 38.487 0.142 0.000 1.119 388 N HN 0.629 nan 8.380 nan 0.000 0.561 389 M N 0.699 120.288 119.600 -0.018 0.000 2.255 389 M HA 0.124 4.606 4.480 0.005 0.000 0.336 389 M C 1.423 177.619 176.300 -0.174 0.000 1.135 389 M CA 0.157 55.364 55.300 -0.156 0.000 1.145 389 M CB 0.504 33.048 32.600 -0.094 0.000 1.473 389 M HN 0.165 nan 8.290 nan 0.000 0.462 390 N N 1.145 119.698 118.700 -0.245 0.000 2.143 390 N HA 0.265 5.008 4.740 0.005 0.000 0.222 390 N C -0.642 174.757 175.510 -0.185 0.000 1.264 390 N CA -0.237 52.679 53.050 -0.223 0.000 0.897 390 N CB 0.758 39.052 38.487 -0.322 0.000 1.092 390 N HN 0.699 nan 8.380 nan 0.000 0.516 391 M N 0.388 119.878 119.600 -0.182 0.000 2.413 391 M HA 0.501 4.984 4.480 0.005 0.000 0.287 391 M C -2.157 174.076 176.300 -0.111 0.000 1.186 391 M CA -0.894 54.323 55.300 -0.137 0.000 0.927 391 M CB 2.493 34.986 32.600 -0.178 0.000 1.715 391 M HN -0.170 nan 8.290 nan 0.000 0.478 392 V N 4.433 124.319 119.914 -0.046 0.000 2.588 392 V HA 0.640 4.763 4.120 0.005 0.000 0.304 392 V C -1.239 174.867 176.094 0.021 0.000 1.042 392 V CA -0.623 61.650 62.300 -0.045 0.000 0.877 392 V CB 2.147 33.943 31.823 -0.045 0.000 0.996 392 V HN 0.979 nan 8.190 nan 0.000 0.425 393 R N 6.233 126.697 120.500 -0.060 0.000 2.221 393 R HA 0.513 4.856 4.340 0.005 0.000 0.327 393 R C -0.719 175.601 176.300 0.034 0.000 1.033 393 R CA -0.471 55.576 56.100 -0.088 0.000 0.887 393 R CB 0.745 30.753 30.300 -0.486 0.000 1.057 393 R HN 0.776 nan 8.270 nan 0.000 0.455 394 I N 6.250 126.874 120.570 0.090 0.000 2.278 394 I HA 0.081 4.254 4.170 0.005 0.000 0.296 394 I C -0.045 176.135 176.117 0.105 0.000 1.121 394 I CA -0.408 60.936 61.300 0.072 0.000 1.267 394 I CB 0.050 37.993 38.000 -0.095 0.000 1.447 394 I HN 0.618 nan 8.210 nan 0.000 0.509 395 W N 6.039 127.287 121.300 -0.087 0.000 2.190 395 W HA 0.349 5.011 4.660 0.004 0.000 0.330 395 W C 1.274 177.727 176.519 -0.110 0.000 1.299 395 W CA -0.557 56.737 57.345 -0.084 0.000 1.215 395 W CB 0.991 30.381 29.460 -0.116 0.000 1.147 395 W HN 0.534 nan 8.180 nan 0.000 0.563 396 G N 2.792 111.085 108.800 -0.844 0.000 2.882 396 G HA2 0.055 4.018 3.960 0.005 0.000 0.206 396 G HA3 0.055 4.018 3.960 0.005 0.000 0.206 396 G C 0.869 175.127 174.900 -1.069 0.000 1.155 396 G CA 0.342 44.980 45.100 -0.770 0.000 0.800 396 G HN 0.864 nan 8.290 nan 0.000 0.524 397 G N -0.700 106.910 108.800 -1.984 0.000 3.393 397 G HA2 0.461 4.424 3.960 0.005 0.000 0.255 397 G HA3 0.461 4.424 3.960 0.005 0.000 0.255 397 G C 0.754 175.297 174.900 -0.596 0.000 1.097 397 G CA 0.607 44.835 45.100 -1.452 0.000 0.780 397 G HN 0.482 nan 8.290 nan 0.000 0.540 398 G N 0.238 108.777 108.800 -0.436 0.000 3.374 398 G HA2 0.523 4.486 3.960 0.005 0.000 0.200 398 G HA3 0.523 4.486 3.960 0.005 0.000 0.200 398 G C 0.172 175.008 174.900 -0.107 0.000 1.801 398 G CA 0.626 45.608 45.100 -0.197 0.000 0.842 398 G HN 0.633 nan 8.290 nan 0.000 0.688 399 T N -2.839 111.657 114.554 -0.097 0.000 2.901 399 T HA 0.564 4.917 4.350 0.005 0.000 0.293 399 T C -1.198 173.409 174.700 -0.156 0.000 1.084 399 T CA -0.730 61.367 62.100 -0.005 0.000 1.008 399 T CB 1.530 70.592 68.868 0.324 0.000 1.170 399 T HN 0.266 nan 8.240 nan 0.000 0.509 400 Y N 1.685 122.027 120.300 0.069 0.000 2.605 400 Y HA 0.284 4.837 4.550 0.005 0.000 0.336 400 Y C 1.471 177.527 175.900 0.261 0.000 1.111 400 Y CA -0.369 57.803 58.100 0.120 0.000 1.422 400 Y CB 0.146 38.675 38.460 0.115 0.000 1.193 400 Y HN 0.536 nan 8.280 nan 0.000 0.526 401 E N 2.507 122.912 120.200 0.342 0.000 2.416 401 E HA -0.031 4.322 4.350 0.005 0.000 0.254 401 E C 0.015 176.875 176.600 0.434 0.000 1.241 401 E CA -0.241 56.308 56.400 0.248 0.000 0.969 401 E CB 0.391 29.832 29.700 -0.432 0.000 0.999 401 E HN 0.742 nan 8.360 nan 0.000 0.481 402 N N 0.856 119.731 118.700 0.291 0.000 2.381 402 N HA -0.021 4.722 4.740 0.005 0.000 0.254 402 N C 0.496 176.142 175.510 0.227 0.000 1.264 402 N CA -0.205 52.951 53.050 0.178 0.000 0.942 402 N CB 0.230 38.731 38.487 0.022 0.000 1.190 402 N HN 0.206 nan 8.380 nan 0.000 0.495 403 N N -0.183 118.596 118.700 0.132 0.000 2.149 403 N HA -0.145 4.598 4.740 0.005 0.000 0.188 403 N C 1.465 177.030 175.510 0.091 0.000 1.019 403 N CA 0.712 53.857 53.050 0.158 0.000 0.857 403 N CB -0.523 38.025 38.487 0.103 0.000 0.997 403 N HN 0.589 nan 8.380 nan 0.000 0.426 404 L N 0.472 121.663 121.223 -0.054 0.000 2.012 404 L HA -0.113 4.230 4.340 0.005 0.000 0.210 404 L C 2.117 178.841 176.870 -0.242 0.000 1.073 404 L CA 1.381 56.116 54.840 -0.175 0.000 0.748 404 L CB -0.913 40.966 42.059 -0.301 0.000 0.891 404 L HN 0.053 nan 8.230 nan 0.000 0.431 405 F N -0.615 119.099 119.950 -0.394 0.000 2.063 405 F HA -0.366 4.164 4.527 0.005 0.000 0.298 405 F C 2.122 177.608 175.800 -0.523 0.000 1.109 405 F CA 2.213 60.008 58.000 -0.342 0.000 1.212 405 F CB -0.516 38.300 39.000 -0.307 0.000 0.973 405 F HN 0.175 nan 8.300 nan 0.000 0.480 406 Y N 0.414 120.658 120.300 -0.092 0.000 2.242 406 Y HA -0.215 4.338 4.550 0.005 0.000 0.291 406 Y C 2.399 178.002 175.900 -0.495 0.000 1.137 406 Y CA 1.338 59.171 58.100 -0.446 0.000 1.181 406 Y CB -0.920 36.937 38.460 -1.006 0.000 0.989 406 Y HN 0.076 nan 8.280 nan 0.000 0.527 407 D N 0.185 120.484 120.400 -0.168 0.000 2.104 407 D HA -0.172 4.471 4.640 0.005 0.000 0.194 407 D C 2.185 178.341 176.300 -0.240 0.000 0.994 407 D CA 1.315 55.280 54.000 -0.058 0.000 0.830 407 D CB -0.447 40.342 40.800 -0.017 0.000 0.959 407 D HN 0.299 nan 8.370 nan 0.000 0.452 408 L N 0.509 121.409 121.223 -0.539 0.000 2.093 408 L HA -0.110 4.233 4.340 0.005 0.000 0.208 408 L C 2.552 178.841 176.870 -0.968 0.000 1.085 408 L CA 1.007 55.340 54.840 -0.844 0.000 0.755 408 L CB -0.409 40.839 42.059 -1.351 0.000 0.904 408 L HN -0.035 nan 8.230 nan 0.000 0.435 409 A N 0.130 122.318 122.820 -1.053 0.000 1.883 409 A HA -0.256 4.067 4.320 0.005 0.000 0.217 409 A C 1.905 179.484 177.584 -0.009 0.000 1.186 409 A CA 2.093 53.912 52.037 -0.362 0.000 0.624 409 A CB -0.596 18.305 19.000 -0.165 0.000 0.822 409 A HN 0.356 nan 8.150 nan 0.000 0.444 410 D N -0.085 120.321 120.400 0.010 0.000 2.103 410 D HA -0.209 4.433 4.640 0.005 0.000 0.190 410 D C 1.972 178.473 176.300 0.335 0.000 0.997 410 D CA 1.853 55.988 54.000 0.225 0.000 0.833 410 D CB -0.517 40.366 40.800 0.139 0.000 0.961 410 D HN 0.877 nan 8.370 nan 0.000 0.447 411 E N -0.154 120.104 120.200 0.097 0.000 2.481 411 E HA -0.036 4.317 4.350 0.005 0.000 0.195 411 E C 0.963 177.576 176.600 0.022 0.000 1.047 411 E CA 0.462 56.906 56.400 0.074 0.000 0.867 411 E CB -0.078 29.629 29.700 0.011 0.000 0.858 411 E HN 0.173 nan 8.360 nan 0.000 0.513 412 N N 0.630 119.333 118.700 0.005 0.000 2.236 412 N HA 0.058 4.801 4.740 0.005 0.000 0.196 412 N C 0.584 176.089 175.510 -0.008 0.000 1.114 412 N CA 0.698 53.754 53.050 0.011 0.000 0.859 412 N CB 1.282 39.809 38.487 0.065 0.000 0.982 412 N HN 0.373 nan 8.380 nan 0.000 0.493 413 G N 1.589 110.396 108.800 0.011 0.000 2.221 413 G HA2 -0.221 3.742 3.960 0.005 0.000 0.265 413 G HA3 -0.221 3.742 3.960 0.005 0.000 0.265 413 G C -0.235 174.654 174.900 -0.018 0.000 1.041 413 G CA -0.166 44.809 45.100 -0.209 0.000 0.807 413 G HN 0.190 nan 8.290 nan 0.000 0.502 414 I N 0.412 121.087 120.570 0.175 0.000 2.339 414 I HA 0.439 4.612 4.170 0.005 0.000 0.290 414 I C 0.796 177.031 176.117 0.198 0.000 0.994 414 I CA -1.640 59.735 61.300 0.125 0.000 1.191 414 I CB 1.120 39.202 38.000 0.136 0.000 1.343 414 I HN -0.057 nan 8.210 nan 0.000 0.458 415 L N 6.665 127.963 121.223 0.124 0.000 2.461 415 L HA 0.187 4.530 4.340 0.005 0.000 0.272 415 L C 0.154 177.058 176.870 0.058 0.000 1.197 415 L CA 0.302 55.195 54.840 0.088 0.000 0.836 415 L CB 0.694 42.716 42.059 -0.062 0.000 1.105 415 L HN 0.254 nan 8.230 nan 0.000 0.477 416 V N 2.317 122.275 119.914 0.073 0.000 2.409 416 V HA 0.238 4.361 4.120 0.005 0.000 0.291 416 V C -0.805 175.375 176.094 0.145 0.000 1.020 416 V CA -0.698 61.672 62.300 0.117 0.000 0.848 416 V CB 1.530 33.442 31.823 0.148 0.000 0.990 416 V HN 0.702 nan 8.190 nan 0.000 0.430 417 W N 6.029 127.321 121.300 -0.013 0.000 2.308 417 W HA 0.539 5.202 4.660 0.005 0.000 0.311 417 W C -0.494 176.007 176.519 -0.030 0.000 1.088 417 W CA -1.048 56.312 57.345 0.026 0.000 1.309 417 W CB 1.361 30.889 29.460 0.113 0.000 1.229 417 W HN 0.621 nan 8.180 nan 0.000 0.427 418 Q N 4.754 124.628 119.800 0.124 0.000 2.368 418 Q HA 0.212 4.555 4.340 0.005 0.000 0.256 418 Q C -0.812 175.248 176.000 0.101 0.000 0.980 418 Q CA -0.084 55.707 55.803 -0.021 0.000 0.887 418 Q CB 0.606 29.029 28.738 -0.525 0.000 1.221 418 Q HN 0.287 nan 8.270 nan 0.000 0.458 419 D N 2.892 123.415 120.400 0.206 0.000 2.341 419 D HA 0.154 4.797 4.640 0.005 0.000 0.245 419 D C -0.364 175.979 176.300 0.071 0.000 1.106 419 D CA 0.071 54.196 54.000 0.207 0.000 0.905 419 D CB 0.431 41.299 40.800 0.113 0.000 1.202 419 D HN 0.416 nan 8.370 nan 0.000 0.426 420 F N 0.687 120.848 119.950 0.351 0.000 2.444 420 F HA 0.089 4.619 4.527 0.005 0.000 0.331 420 F C 1.492 177.212 175.800 -0.133 0.000 1.167 420 F CA -0.302 57.883 58.000 0.307 0.000 1.262 420 F CB 0.399 39.742 39.000 0.573 0.000 1.196 420 F HN 0.036 nan 8.300 nan 0.000 0.583 421 M N 3.872 123.183 119.600 -0.482 0.000 3.690 421 M HA 0.188 4.671 4.480 0.005 0.000 0.209 421 M C -1.485 174.251 176.300 -0.941 0.000 1.403 421 M CA 0.318 55.111 55.300 -0.845 0.000 1.621 421 M CB -1.634 30.191 32.600 -1.291 0.000 1.056 421 M HN 0.285 nan 8.290 nan 0.000 0.593 422 F N 0.613 120.471 119.950 -0.153 0.000 2.539 422 F HA 0.709 5.239 4.527 0.005 0.000 0.318 422 F C -0.079 175.743 175.800 0.038 0.000 1.135 422 F CA -1.000 56.920 58.000 -0.133 0.000 0.915 422 F CB 1.777 40.740 39.000 -0.062 0.000 1.176 422 F HN 0.324 nan 8.300 nan 0.000 0.440 423 A N 1.374 124.450 122.820 0.427 0.000 2.429 423 A HA 0.598 4.920 4.320 0.005 0.000 0.289 423 A C 0.065 177.991 177.584 0.570 0.000 1.043 423 A CA -0.715 51.526 52.037 0.340 0.000 0.722 423 A CB 0.649 19.631 19.000 -0.030 0.000 1.243 423 A HN 1.097 nan 8.150 nan 0.000 0.415 424 C N 0.181 119.757 119.300 0.460 0.000 4.784 424 C HA -0.120 4.342 4.460 0.005 0.000 0.261 424 C C 0.892 176.110 174.990 0.380 0.000 1.492 424 C CA 1.525 60.809 59.018 0.444 0.000 1.622 424 C CB -2.324 25.761 27.740 0.576 0.000 1.855 424 C HN 1.569 nan 8.230 nan 0.000 0.662 425 T N 0.742 115.474 114.554 0.295 0.000 2.916 425 T HA 0.602 4.955 4.350 0.005 0.000 0.305 425 T C -2.728 172.079 174.700 0.179 0.000 1.119 425 T CA -1.134 61.072 62.100 0.178 0.000 1.008 425 T CB 2.378 71.196 68.868 -0.084 0.000 1.129 425 T HN 0.049 nan 8.240 nan 0.000 0.480 426 P HA 0.230 nan 4.420 nan 0.000 0.270 426 P C -1.229 176.091 177.300 0.033 0.000 1.223 426 P CA -0.100 63.172 63.100 0.287 0.000 0.785 426 P CB 0.533 32.390 31.700 0.261 0.000 0.923 427 Y N -0.282 120.066 120.300 0.079 0.000 2.587 427 Y HA 0.430 4.983 4.550 0.005 0.000 0.337 427 Y C -1.625 174.070 175.900 -0.340 0.000 1.065 427 Y CA -2.317 55.626 58.100 -0.262 0.000 1.126 427 Y CB 0.803 39.289 38.460 0.044 0.000 1.279 427 Y HN 0.273 nan 8.280 nan 0.000 0.489 428 P HA 0.042 nan 4.420 nan 0.000 0.270 428 P C -0.384 176.843 177.300 -0.122 0.000 1.227 428 P CA 0.218 63.108 63.100 -0.350 0.000 0.788 428 P CB 0.528 31.800 31.700 -0.714 0.000 0.926 429 S N -2.395 113.336 115.700 0.052 0.000 3.093 429 S HA 0.101 4.574 4.470 0.005 0.000 0.251 429 S C -0.058 174.615 174.600 0.122 0.000 0.905 429 S CA -0.723 57.548 58.200 0.119 0.000 1.124 429 S CB -0.683 62.545 63.200 0.046 0.000 1.124 429 S HN 0.497 nan 8.310 nan 0.000 0.574 430 D N 1.656 122.145 120.400 0.149 0.000 2.368 430 D HA 0.159 4.802 4.640 0.005 0.000 0.240 430 D C -1.999 174.383 176.300 0.137 0.000 1.169 430 D CA -1.047 53.031 54.000 0.130 0.000 0.906 430 D CB 0.681 41.561 40.800 0.133 0.000 1.187 430 D HN -0.027 nan 8.370 nan 0.000 0.435 431 P HA -0.152 nan 4.420 nan 0.000 0.215 431 P C 1.641 178.983 177.300 0.071 0.000 1.153 431 P CA 2.241 65.375 63.100 0.056 0.000 0.853 431 P CB -0.099 31.620 31.700 0.032 0.000 0.788 432 T N -3.913 110.702 114.554 0.101 0.000 2.904 432 T HA -0.141 4.212 4.350 0.005 0.000 0.267 432 T C 1.702 176.491 174.700 0.148 0.000 1.059 432 T CA 0.535 62.697 62.100 0.104 0.000 1.137 432 T CB -1.379 67.549 68.868 0.100 0.000 0.879 432 T HN -0.041 nan 8.240 nan 0.000 0.467 433 F N 2.017 122.006 119.950 0.065 0.000 2.134 433 F HA 0.173 4.703 4.527 0.005 0.000 0.299 433 F C 1.907 177.731 175.800 0.039 0.000 1.097 433 F CA 0.982 59.032 58.000 0.083 0.000 1.264 433 F CB -0.345 38.721 39.000 0.111 0.000 1.001 433 F HN 0.073 nan 8.300 nan 0.000 0.479 434 L N -0.386 120.855 121.223 0.031 0.000 2.201 434 L HA -0.182 4.161 4.340 0.005 0.000 0.212 434 L C 2.524 179.308 176.870 -0.144 0.000 1.105 434 L CA 1.002 55.772 54.840 -0.117 0.000 0.775 434 L CB -0.794 41.228 42.059 -0.062 0.000 0.913 434 L HN -0.099 nan 8.230 nan 0.000 0.440 435 K N -0.051 120.303 120.400 -0.077 0.000 2.097 435 K HA -0.069 4.254 4.320 0.005 0.000 0.205 435 K C 2.157 178.702 176.600 -0.091 0.000 1.050 435 K CA 1.101 57.346 56.287 -0.070 0.000 0.938 435 K CB -0.333 32.152 32.500 -0.025 0.000 0.718 435 K HN 0.430 nan 8.250 nan 0.000 0.442 436 R N -0.082 120.355 120.500 -0.105 0.000 2.096 436 R HA -0.026 4.317 4.340 0.005 0.000 0.235 436 R C 2.343 178.543 176.300 -0.165 0.000 1.127 436 R CA 1.514 57.547 56.100 -0.112 0.000 0.968 436 R CB -0.657 29.590 30.300 -0.088 0.000 0.861 436 R HN 0.146 nan 8.270 nan 0.000 0.440 437 V N 1.332 121.081 119.914 -0.276 0.000 2.358 437 V HA -0.219 3.904 4.120 0.005 0.000 0.246 437 V C 2.361 178.353 176.094 -0.171 0.000 1.047 437 V CA 1.752 63.927 62.300 -0.208 0.000 1.035 437 V CB -0.471 31.191 31.823 -0.267 0.000 0.658 437 V HN 0.376 nan 8.190 nan 0.000 0.452 438 E N 0.390 120.475 120.200 -0.192 0.000 2.058 438 E HA -0.273 4.079 4.350 0.005 0.000 0.194 438 E C 2.282 178.780 176.600 -0.171 0.000 0.997 438 E CA 1.519 57.806 56.400 -0.187 0.000 0.801 438 E CB -0.249 29.358 29.700 -0.155 0.000 0.746 438 E HN 0.549 nan 8.360 nan 0.000 0.450 439 A N 1.739 124.480 122.820 -0.132 0.000 1.903 439 A HA -0.314 4.008 4.320 0.005 0.000 0.219 439 A C 2.083 179.595 177.584 -0.119 0.000 1.191 439 A CA 2.234 54.199 52.037 -0.120 0.000 0.638 439 A CB -0.882 18.064 19.000 -0.090 0.000 0.823 439 A HN 0.627 nan 8.150 nan 0.000 0.451 440 E N -0.249 119.897 120.200 -0.091 0.000 2.152 440 E HA 0.025 4.377 4.350 0.005 0.000 0.192 440 E C 1.996 178.513 176.600 -0.137 0.000 0.983 440 E CA 1.020 57.387 56.400 -0.055 0.000 0.818 440 E CB -0.355 29.388 29.700 0.072 0.000 0.758 440 E HN 0.480 nan 8.360 nan 0.000 0.467 441 A N 1.410 124.140 122.820 -0.149 0.000 1.873 441 A HA -0.059 4.264 4.320 0.005 0.000 0.215 441 A C 2.484 179.879 177.584 -0.314 0.000 1.186 441 A CA 1.351 53.289 52.037 -0.165 0.000 0.616 441 A CB -0.737 18.098 19.000 -0.275 0.000 0.823 441 A HN 0.190 nan 8.150 nan 0.000 0.442 442 V N -1.193 118.491 119.914 -0.383 0.000 2.295 442 V HA -0.293 3.830 4.120 0.005 0.000 0.246 442 V C 2.350 178.173 176.094 -0.451 0.000 1.049 442 V CA 2.194 64.120 62.300 -0.623 0.000 1.024 442 V CB -1.086 30.313 31.823 -0.706 0.000 0.648 442 V HN 0.700 nan 8.190 nan 0.000 0.447 443 Y N 1.831 121.905 120.300 -0.378 0.000 2.070 443 Y HA -0.266 4.287 4.550 0.005 0.000 0.280 443 Y C 2.573 178.304 175.900 -0.282 0.000 1.148 443 Y CA 2.287 60.208 58.100 -0.298 0.000 1.125 443 Y CB -0.400 37.908 38.460 -0.253 0.000 0.975 443 Y HN 0.273 nan 8.280 nan 0.000 0.492 444 N N 0.257 118.760 118.700 -0.328 0.000 2.270 444 N HA -0.120 4.623 4.740 0.005 0.000 0.181 444 N C 1.969 177.317 175.510 -0.269 0.000 1.016 444 N CA 1.557 54.373 53.050 -0.390 0.000 0.870 444 N CB -0.174 37.991 38.487 -0.535 0.000 0.979 444 N HN 0.442 nan 8.380 nan 0.000 0.431 445 I N 1.451 121.826 120.570 -0.326 0.000 2.127 445 I HA -0.252 3.921 4.170 0.005 0.000 0.241 445 I C 2.401 178.375 176.117 -0.238 0.000 1.075 445 I CA 1.234 62.382 61.300 -0.253 0.000 1.334 445 I CB -0.143 37.593 38.000 -0.441 0.000 1.040 445 I HN 0.029 nan 8.210 nan 0.000 0.405 446 R N 0.097 120.377 120.500 -0.367 0.000 2.120 446 R HA -0.163 4.180 4.340 0.005 0.000 0.234 446 R C 2.420 178.513 176.300 -0.345 0.000 1.123 446 R CA 1.108 56.995 56.100 -0.355 0.000 0.975 446 R CB -0.363 29.735 30.300 -0.337 0.000 0.866 446 R HN 0.296 nan 8.270 nan 0.000 0.446 447 R N 0.774 121.011 120.500 -0.437 0.000 2.096 447 R HA -0.087 4.255 4.340 0.005 0.000 0.235 447 R C 1.550 177.685 176.300 -0.275 0.000 1.127 447 R CA 1.299 57.154 56.100 -0.409 0.000 0.968 447 R CB 0.047 29.992 30.300 -0.592 0.000 0.861 447 R HN 0.213 nan 8.270 nan 0.000 0.440 448 L N 0.124 121.209 121.223 -0.230 0.000 2.638 448 L HA 0.163 4.506 4.340 0.005 0.000 0.232 448 L C 1.879 178.684 176.870 -0.108 0.000 1.099 448 L CA -0.077 54.661 54.840 -0.170 0.000 0.883 448 L CB 0.125 41.996 42.059 -0.313 0.000 1.136 448 L HN 0.170 nan 8.230 nan 0.000 0.492 449 R N -0.647 119.758 120.500 -0.157 0.000 2.323 449 R HA 0.031 4.373 4.340 0.005 0.000 0.198 449 R C 0.756 176.953 176.300 -0.172 0.000 0.988 449 R CA 0.554 56.580 56.100 -0.122 0.000 1.041 449 R CB -0.353 29.820 30.300 -0.212 0.000 0.926 449 R HN 0.304 nan 8.270 nan 0.000 0.476 450 N N 0.576 119.055 118.700 -0.367 0.000 2.336 450 N HA -0.004 4.739 4.740 0.005 0.000 0.189 450 N C -0.483 174.719 175.510 -0.515 0.000 1.113 450 N CA 0.168 52.907 53.050 -0.519 0.000 0.858 450 N CB 0.196 38.099 38.487 -0.973 0.000 0.970 450 N HN 0.305 nan 8.380 nan 0.000 0.471 451 H N 0.541 119.450 119.070 -0.269 0.000 2.668 451 H HA 0.220 4.778 4.556 0.005 0.000 0.303 451 H C 1.034 176.171 175.328 -0.319 0.000 1.074 451 H CA -0.296 55.609 56.048 -0.239 0.000 1.406 451 H CB 1.613 31.290 29.762 -0.142 0.000 1.442 451 H HN 0.053 nan 8.280 nan 0.000 0.482 452 A N 3.402 126.011 122.820 -0.353 0.000 1.958 452 A HA -0.254 4.069 4.320 0.005 0.000 0.221 452 A C 2.399 179.472 177.584 -0.851 0.000 1.178 452 A CA 2.212 53.790 52.037 -0.765 0.000 0.642 452 A CB -0.547 17.666 19.000 -1.312 0.000 0.816 452 A HN 0.738 nan 8.150 nan 0.000 0.453 453 S N -1.057 114.352 115.700 -0.486 0.000 2.428 453 S HA 0.043 4.516 4.470 0.005 0.000 0.230 453 S C 0.737 175.283 174.600 -0.090 0.000 1.014 453 S CA 0.556 58.633 58.200 -0.205 0.000 0.957 453 S CB -0.687 62.528 63.200 0.024 0.000 0.784 453 S HN 0.462 nan 8.310 nan 0.000 0.499 454 L N 1.814 122.986 121.223 -0.084 0.000 2.477 454 L HA 0.545 4.888 4.340 0.005 0.000 0.272 454 L C 0.760 177.566 176.870 -0.106 0.000 1.157 454 L CA 0.278 55.056 54.840 -0.102 0.000 0.889 454 L CB 0.501 42.465 42.059 -0.158 0.000 1.158 454 L HN 0.210 nan 8.230 nan 0.000 0.473 455 A N 6.307 129.085 122.820 -0.070 0.000 2.074 455 A HA 0.484 4.807 4.320 0.005 0.000 0.200 455 A C 0.355 177.974 177.584 0.058 0.000 1.335 455 A CA 0.755 52.816 52.037 0.039 0.000 0.922 455 A CB 0.108 19.179 19.000 0.118 0.000 0.972 455 A HN 0.774 nan 8.150 nan 0.000 0.475 456 M N -4.417 115.137 119.600 -0.075 0.000 2.895 456 M HA 0.637 5.120 4.480 0.005 0.000 0.271 456 M C -2.309 173.815 176.300 -0.293 0.000 1.174 456 M CA -0.636 54.617 55.300 -0.078 0.000 0.816 456 M CB 1.002 33.600 32.600 -0.003 0.000 1.647 456 M HN 0.063 nan 8.290 nan 0.000 0.506 457 W N 0.712 121.995 121.300 -0.029 0.000 2.666 457 W HA 0.750 5.412 4.660 0.005 0.000 0.334 457 W C -1.154 175.307 176.519 -0.096 0.000 1.051 457 W CA -0.437 56.910 57.345 0.003 0.000 1.224 457 W CB 2.085 31.692 29.460 0.247 0.000 1.405 457 W HN 0.863 nan 8.180 nan 0.000 0.513 458 C N 2.793 122.232 119.300 0.231 0.000 2.364 458 C HA 0.584 5.047 4.460 0.005 0.000 0.324 458 C C 1.535 176.739 174.990 0.356 0.000 1.234 458 C CA 0.030 59.100 59.018 0.087 0.000 1.417 458 C CB 0.200 28.089 27.740 0.248 0.000 2.101 458 C HN 1.000 nan 8.230 nan 0.000 0.466 459 G N 4.372 113.264 108.800 0.154 0.000 2.442 459 G HA2 -0.003 3.960 3.960 0.005 0.000 0.219 459 G HA3 -0.003 3.960 3.960 0.005 0.000 0.219 459 G C 0.295 175.474 174.900 0.465 0.000 1.141 459 G CA 1.458 46.891 45.100 0.556 0.000 0.763 459 G HN 1.096 nan 8.290 nan 0.000 0.554 460 N N -2.706 116.090 118.700 0.159 0.000 3.227 460 N HA 0.201 4.943 4.740 0.005 0.000 0.241 460 N C -1.630 173.934 175.510 0.090 0.000 1.480 460 N CA -0.911 52.188 53.050 0.081 0.000 0.886 460 N CB 0.575 38.861 38.487 -0.335 0.000 1.406 460 N HN -0.006 nan 8.380 nan 0.000 0.514 461 N N -0.114 118.645 118.700 0.098 0.000 2.437 461 N HA 0.293 5.036 4.740 0.005 0.000 0.259 461 N C -0.899 174.724 175.510 0.188 0.000 0.983 461 N CA -0.190 52.974 53.050 0.191 0.000 0.937 461 N CB 0.467 39.056 38.487 0.170 0.000 1.122 461 N HN 0.767 nan 8.380 nan 0.000 0.499 462 E N 1.383 121.648 120.200 0.108 0.000 3.801 462 E HA -0.258 4.095 4.350 0.005 0.000 0.319 462 E C 0.525 177.017 176.600 -0.180 0.000 0.784 462 E CA 0.681 57.077 56.400 -0.006 0.000 1.183 462 E CB -1.291 28.525 29.700 0.194 0.000 1.601 462 E HN 0.673 nan 8.360 nan 0.000 0.441 463 I N -0.148 120.377 120.570 -0.076 0.000 2.333 463 I HA -0.190 3.983 4.170 0.005 0.000 0.246 463 I C 2.398 178.395 176.117 -0.200 0.000 1.106 463 I CA 0.845 62.114 61.300 -0.051 0.000 1.411 463 I CB -0.178 37.887 38.000 0.109 0.000 1.082 463 I HN 0.108 nan 8.210 nan 0.000 0.420 464 L N 1.196 122.265 121.223 -0.256 0.000 2.056 464 L HA -0.191 4.152 4.340 0.005 0.000 0.207 464 L C 2.460 179.093 176.870 -0.396 0.000 1.078 464 L CA 1.841 56.403 54.840 -0.464 0.000 0.749 464 L CB -0.661 41.198 42.059 -0.332 0.000 0.901 464 L HN 0.235 nan 8.230 nan 0.000 0.433 465 E N -0.467 119.545 120.200 -0.313 0.000 2.086 465 E HA -0.313 4.039 4.350 0.005 0.000 0.200 465 E C 2.091 178.256 176.600 -0.726 0.000 1.012 465 E CA 1.562 57.778 56.400 -0.308 0.000 0.812 465 E CB -0.242 29.339 29.700 -0.197 0.000 0.743 465 E HN 0.608 nan 8.360 nan 0.000 0.453 466 A N 0.812 122.971 122.820 -1.101 0.000 1.883 466 A HA -0.188 4.135 4.320 0.005 0.000 0.217 466 A C 2.242 179.340 177.584 -0.811 0.000 1.186 466 A CA 1.523 52.738 52.037 -1.370 0.000 0.624 466 A CB -0.753 17.727 19.000 -0.868 0.000 0.822 466 A HN 0.352 nan 8.150 nan 0.000 0.444 467 L N -1.146 119.821 121.223 -0.427 0.000 2.093 467 L HA -0.173 4.170 4.340 0.005 0.000 0.208 467 L C 2.558 179.287 176.870 -0.234 0.000 1.085 467 L CA 1.628 56.359 54.840 -0.182 0.000 0.755 467 L CB -0.277 41.676 42.059 -0.177 0.000 0.904 467 L HN 0.358 nan 8.230 nan 0.000 0.435 468 K N -1.336 118.766 120.400 -0.498 0.000 2.137 468 K HA -0.058 4.264 4.320 0.005 0.000 0.202 468 K C 0.924 177.131 176.600 -0.655 0.000 1.052 468 K CA 1.114 56.976 56.287 -0.708 0.000 0.961 468 K CB 0.200 31.939 32.500 -1.268 0.000 0.741 468 K HN 0.186 nan 8.250 nan 0.000 0.452 469 Y N -3.010 117.172 120.300 -0.197 0.000 2.610 469 Y HA 0.130 4.683 4.550 0.005 0.000 0.254 469 Y C 0.365 176.324 175.900 0.098 0.000 1.110 469 Y CA -0.913 57.147 58.100 -0.068 0.000 1.238 469 Y CB 0.456 38.893 38.460 -0.039 0.000 1.322 469 Y HN 0.063 nan 8.280 nan 0.000 0.547 470 W N 0.546 121.673 121.300 -0.288 0.000 3.239 470 W HA 0.550 5.213 4.660 0.005 0.000 0.368 470 W C 1.324 177.668 176.519 -0.292 0.000 1.154 470 W CA -0.084 57.053 57.345 -0.345 0.000 1.860 470 W CB -0.124 29.034 29.460 -0.503 0.000 1.094 470 W HN 0.177 nan 8.180 nan 0.000 0.643 471 G N -0.004 108.786 108.800 -0.017 0.000 2.137 471 G HA2 -0.349 3.614 3.960 0.005 0.000 0.237 471 G HA3 -0.349 3.614 3.960 0.005 0.000 0.237 471 G C 0.704 175.742 174.900 0.229 0.000 1.002 471 G CA 0.185 45.327 45.100 0.070 0.000 0.702 471 G HN 0.089 nan 8.290 nan 0.000 0.515 472 F N 0.549 120.600 119.950 0.169 0.000 2.171 472 F HA 0.074 4.604 4.527 0.005 0.000 0.300 472 F C 2.302 178.178 175.800 0.127 0.000 1.090 472 F CA 1.164 59.322 58.000 0.262 0.000 1.293 472 F CB -0.676 38.605 39.000 0.469 0.000 1.013 472 F HN 0.462 nan 8.300 nan 0.000 0.486 473 E N 0.155 120.358 120.200 0.005 0.000 2.396 473 E HA -0.153 4.200 4.350 0.005 0.000 0.200 473 E C 1.781 178.313 176.600 -0.113 0.000 1.023 473 E CA 0.830 57.034 56.400 -0.326 0.000 0.857 473 E CB 0.101 29.448 29.700 -0.588 0.000 0.775 473 E HN 0.071 nan 8.360 nan 0.000 0.525 474 K N -0.537 119.842 120.400 -0.033 0.000 2.358 474 K HA 0.172 4.495 4.320 0.005 0.000 0.197 474 K C 1.153 177.703 176.600 -0.084 0.000 1.025 474 K CA 0.115 56.376 56.287 -0.044 0.000 1.104 474 K CB 0.335 32.817 32.500 -0.030 0.000 0.855 474 K HN 0.131 nan 8.250 nan 0.000 0.531 475 K N -0.879 119.439 120.400 -0.136 0.000 2.354 475 K HA 0.276 4.599 4.320 0.005 0.000 0.194 475 K C -0.497 175.600 176.600 -0.838 0.000 1.038 475 K CA 0.351 56.359 56.287 -0.465 0.000 1.052 475 K CB 0.437 32.592 32.500 -0.576 0.000 0.861 475 K HN 0.110 nan 8.250 nan 0.000 0.535 476 F N -0.041 119.890 119.950 -0.033 0.000 2.643 476 F HA 0.138 4.668 4.527 0.005 0.000 0.314 476 F C 0.603 176.367 175.800 -0.061 0.000 1.096 476 F CA -1.381 56.566 58.000 -0.087 0.000 0.953 476 F CB 0.972 39.873 39.000 -0.165 0.000 1.345 476 F HN -0.210 nan 8.300 nan 0.000 0.468 477 T N -1.430 113.207 114.554 0.138 0.000 2.802 477 T HA 0.212 4.565 4.350 0.005 0.000 0.305 477 T C -2.109 172.648 174.700 0.095 0.000 1.053 477 T CA -1.192 60.953 62.100 0.075 0.000 1.058 477 T CB 1.071 69.969 68.868 0.049 0.000 0.988 477 T HN 0.281 nan 8.240 nan 0.000 0.539 478 P HA -0.129 nan 4.420 nan 0.000 0.215 478 P C 1.746 179.113 177.300 0.112 0.000 1.153 478 P CA 1.096 64.255 63.100 0.099 0.000 0.853 478 P CB 0.013 31.750 31.700 0.062 0.000 0.788 479 E N -0.314 119.926 120.200 0.066 0.000 2.110 479 E HA -0.105 4.248 4.350 0.005 0.000 0.193 479 E C 2.056 178.665 176.600 0.015 0.000 0.988 479 E CA 1.156 57.586 56.400 0.049 0.000 0.804 479 E CB -1.570 28.151 29.700 0.035 0.000 0.745 479 E HN 0.108 nan 8.360 nan 0.000 0.458 480 V N 0.853 120.744 119.914 -0.038 0.000 2.358 480 V HA -0.244 3.879 4.120 0.005 0.000 0.246 480 V C 2.293 178.239 176.094 -0.246 0.000 1.047 480 V CA 1.769 63.935 62.300 -0.223 0.000 1.035 480 V CB -0.779 30.791 31.823 -0.422 0.000 0.658 480 V HN 0.207 nan 8.190 nan 0.000 0.452 481 Y N 1.121 121.310 120.300 -0.186 0.000 2.181 481 Y HA -0.291 4.262 4.550 0.005 0.000 0.288 481 Y C 2.827 178.682 175.900 -0.075 0.000 1.146 481 Y CA 2.271 60.295 58.100 -0.126 0.000 1.164 481 Y CB -0.463 37.993 38.460 -0.006 0.000 0.982 481 Y HN 0.178 nan 8.280 nan 0.000 0.515 482 Q N -0.438 119.362 119.800 -0.001 0.000 2.096 482 Q HA -0.150 4.193 4.340 0.005 0.000 0.204 482 Q C 2.577 178.618 176.000 0.069 0.000 0.982 482 Q CA 1.196 56.998 55.803 -0.002 0.000 0.850 482 Q CB -1.486 27.352 28.738 0.167 0.000 0.901 482 Q HN 0.805 nan 8.270 nan 0.000 0.422 483 G N 0.370 109.189 108.800 0.032 0.000 2.418 483 G HA2 -0.218 3.745 3.960 0.005 0.000 0.217 483 G HA3 -0.218 3.745 3.960 0.005 0.000 0.217 483 G C 1.393 176.293 174.900 0.001 0.000 1.158 483 G CA 1.009 46.140 45.100 0.052 0.000 0.771 483 G HN 0.474 nan 8.290 nan 0.000 0.545 484 L N -0.071 121.061 121.223 -0.152 0.000 2.056 484 L HA -0.045 4.298 4.340 0.005 0.000 0.207 484 L C 3.076 179.868 176.870 -0.129 0.000 1.078 484 L CA 0.659 55.415 54.840 -0.139 0.000 0.749 484 L CB -0.335 41.556 42.059 -0.279 0.000 0.901 484 L HN 0.144 nan 8.230 nan 0.000 0.433 485 M N -0.887 118.512 119.600 -0.335 0.000 2.132 485 M HA -0.173 4.310 4.480 0.005 0.000 0.263 485 M C 2.238 178.413 176.300 -0.208 0.000 1.065 485 M CA 1.830 56.918 55.300 -0.352 0.000 1.122 485 M CB -1.292 30.968 32.600 -0.566 0.000 1.365 485 M HN 0.283 nan 8.290 nan 0.000 0.411 486 H N -0.670 118.370 119.070 -0.050 0.000 2.389 486 H HA 0.023 4.582 4.556 0.005 0.000 0.299 486 H C 2.188 177.526 175.328 0.016 0.000 1.081 486 H CA 1.386 57.428 56.048 -0.011 0.000 1.345 486 H CB -0.500 29.249 29.762 -0.023 0.000 1.393 486 H HN 0.484 nan 8.280 nan 0.000 0.520 487 G N -0.214 108.665 108.800 0.133 0.000 2.422 487 G HA2 -0.342 3.621 3.960 0.005 0.000 0.218 487 G HA3 -0.342 3.621 3.960 0.005 0.000 0.218 487 G C 1.503 176.448 174.900 0.076 0.000 1.146 487 G CA 0.805 45.961 45.100 0.094 0.000 0.769 487 G HN 0.440 nan 8.290 nan 0.000 0.547 488 Y N 1.913 122.249 120.300 0.061 0.000 2.097 488 Y HA -0.175 4.377 4.550 0.005 0.000 0.282 488 Y C 2.472 178.442 175.900 0.116 0.000 1.152 488 Y CA 2.207 60.414 58.100 0.178 0.000 1.136 488 Y CB -0.067 38.458 38.460 0.108 0.000 0.975 488 Y HN 0.200 nan 8.280 nan 0.000 0.498 489 D N -0.003 120.483 120.400 0.143 0.000 2.117 489 D HA -0.159 4.484 4.640 0.005 0.000 0.197 489 D C 2.020 178.262 176.300 -0.096 0.000 0.987 489 D CA 1.548 55.570 54.000 0.037 0.000 0.829 489 D CB -0.284 40.556 40.800 0.067 0.000 0.961 489 D HN 0.375 nan 8.370 nan 0.000 0.460 490 K N -0.217 120.127 120.400 -0.095 0.000 2.103 490 K HA -0.146 4.177 4.320 0.005 0.000 0.207 490 K C 1.883 178.314 176.600 -0.281 0.000 1.048 490 K CA 0.719 56.920 56.287 -0.143 0.000 0.930 490 K CB -0.031 32.413 32.500 -0.093 0.000 0.716 490 K HN 0.077 nan 8.250 nan 0.000 0.444 491 L N -0.889 120.061 121.223 -0.457 0.000 2.189 491 L HA 0.117 4.460 4.340 0.005 0.000 0.199 491 L C 1.487 177.847 176.870 -0.850 0.000 1.074 491 L CA 1.488 55.855 54.840 -0.787 0.000 0.783 491 L CB -0.145 41.188 42.059 -1.212 0.000 0.955 491 L HN -0.021 nan 8.230 nan 0.000 0.460 492 F N -0.318 119.341 119.950 -0.485 0.000 2.698 492 F HA 0.239 4.769 4.527 0.005 0.000 0.295 492 F C 2.049 177.754 175.800 -0.159 0.000 1.124 492 F CA 0.366 58.133 58.000 -0.389 0.000 1.426 492 F CB -0.187 38.395 39.000 -0.696 0.000 1.120 492 F HN -0.028 nan 8.300 nan 0.000 0.583 493 R N -0.416 120.039 120.500 -0.075 0.000 2.397 493 R HA 0.192 4.535 4.340 0.005 0.000 0.241 493 R C 0.726 176.962 176.300 -0.106 0.000 0.914 493 R CA 0.332 56.412 56.100 -0.033 0.000 1.071 493 R CB 0.322 30.604 30.300 -0.030 0.000 1.116 493 R HN 0.315 nan 8.270 nan 0.000 0.524 494 E N -0.126 119.966 120.200 -0.180 0.000 3.312 494 E HA 0.026 4.379 4.350 0.005 0.000 0.178 494 E C 1.156 177.597 176.600 -0.265 0.000 1.204 494 E CA -0.302 55.982 56.400 -0.192 0.000 1.335 494 E CB -0.166 29.443 29.700 -0.152 0.000 1.680 494 E HN -0.076 nan 8.360 nan 0.000 0.503 495 L N 2.077 123.118 121.223 -0.303 0.000 1.970 495 L HA -0.146 4.197 4.340 0.005 0.000 0.212 495 L C 2.099 178.710 176.870 -0.433 0.000 1.071 495 L CA 1.807 56.446 54.840 -0.335 0.000 0.751 495 L CB -0.556 41.291 42.059 -0.355 0.000 0.889 495 L HN 0.170 nan 8.230 nan 0.000 0.432 496 L N 0.008 120.899 121.223 -0.553 0.000 1.994 496 L HA -0.113 4.230 4.340 0.005 0.000 0.208 496 L C -0.159 176.177 176.870 -0.889 0.000 1.071 496 L CA 1.474 55.862 54.840 -0.754 0.000 0.745 496 L CB -2.253 39.327 42.059 -0.799 0.000 0.892 496 L HN 0.287 nan 8.230 nan 0.000 0.431 497 P HA -0.170 nan 4.420 nan 0.000 0.216 497 P C 1.721 178.717 177.300 -0.507 0.000 1.150 497 P CA 2.042 64.557 63.100 -0.976 0.000 0.837 497 P CB -0.072 31.278 31.700 -0.583 0.000 0.786 498 S N -1.087 114.389 115.700 -0.373 0.000 2.402 498 S HA -0.104 4.369 4.470 0.005 0.000 0.229 498 S C 1.966 176.429 174.600 -0.228 0.000 1.021 498 S CA 1.761 59.808 58.200 -0.255 0.000 0.974 498 S CB -1.941 61.137 63.200 -0.203 0.000 0.800 498 S HN 0.118 nan 8.310 nan 0.000 0.484 499 T N 2.217 116.614 114.554 -0.262 0.000 2.821 499 T HA 0.028 4.380 4.350 0.005 0.000 0.267 499 T C 1.890 176.521 174.700 -0.116 0.000 1.046 499 T CA 1.304 63.322 62.100 -0.138 0.000 1.139 499 T CB -0.500 68.228 68.868 -0.233 0.000 0.871 499 T HN 0.298 nan 8.240 nan 0.000 0.454 500 V N 1.224 120.963 119.914 -0.291 0.000 2.358 500 V HA -0.152 3.971 4.120 0.005 0.000 0.246 500 V C 2.669 178.668 176.094 -0.157 0.000 1.047 500 V CA 1.602 63.744 62.300 -0.264 0.000 1.035 500 V CB -0.614 31.028 31.823 -0.301 0.000 0.658 500 V HN 0.362 nan 8.190 nan 0.000 0.452 501 K N -0.365 119.925 120.400 -0.183 0.000 2.097 501 K HA -0.218 4.105 4.320 0.005 0.000 0.206 501 K C 2.184 178.684 176.600 -0.168 0.000 1.049 501 K CA 2.011 58.211 56.287 -0.145 0.000 0.933 501 K CB -0.297 32.112 32.500 -0.152 0.000 0.717 501 K HN 0.779 nan 8.250 nan 0.000 0.442 502 E N -1.834 118.229 120.200 -0.227 0.000 2.046 502 E HA -0.068 4.285 4.350 0.005 0.000 0.190 502 E C 1.488 177.761 176.600 -0.546 0.000 0.982 502 E CA 1.622 57.759 56.400 -0.438 0.000 0.800 502 E CB -0.061 29.266 29.700 -0.621 0.000 0.756 502 E HN 0.592 nan 8.360 nan 0.000 0.449 503 F N -0.546 119.295 119.950 -0.181 0.000 2.731 503 F HA 0.229 4.759 4.527 0.005 0.000 0.298 503 F C 0.504 176.154 175.800 -0.249 0.000 1.106 503 F CA -0.089 57.775 58.000 -0.226 0.000 1.329 503 F CB 0.981 39.819 39.000 -0.269 0.000 1.100 503 F HN -0.124 nan 8.300 nan 0.000 0.592 504 D N -0.733 119.654 120.400 -0.021 0.000 2.968 504 D HA 0.094 4.737 4.640 0.005 0.000 0.301 504 D C 0.986 177.328 176.300 0.069 0.000 1.226 504 D CA 0.213 54.237 54.000 0.040 0.000 0.746 504 D CB 0.303 41.175 40.800 0.121 0.000 1.278 504 D HN 0.027 nan 8.370 nan 0.000 0.544 505 S N -0.722 115.007 115.700 0.047 0.000 2.474 505 S HA -0.071 4.402 4.470 0.005 0.000 0.235 505 S C 0.977 175.603 174.600 0.044 0.000 0.997 505 S CA 0.564 58.774 58.200 0.016 0.000 0.949 505 S CB 0.301 63.492 63.200 -0.015 0.000 0.766 505 S HN 0.171 nan 8.310 nan 0.000 0.517 506 D N 0.889 121.335 120.400 0.076 0.000 2.363 506 D HA 0.234 4.877 4.640 0.005 0.000 0.214 506 D C 0.267 176.624 176.300 0.095 0.000 1.093 506 D CA 0.062 54.103 54.000 0.067 0.000 0.837 506 D CB 0.370 41.201 40.800 0.053 0.000 0.948 506 D HN 0.399 nan 8.370 nan 0.000 0.507 507 R N 0.178 120.764 120.500 0.143 0.000 2.589 507 R HA 0.313 4.656 4.340 0.005 0.000 0.293 507 R C -0.474 175.972 176.300 0.242 0.000 0.963 507 R CA -0.841 55.378 56.100 0.198 0.000 0.905 507 R CB 1.716 32.181 30.300 0.275 0.000 1.144 507 R HN -0.132 nan 8.270 nan 0.000 0.459 508 F N 2.841 122.817 119.950 0.042 0.000 2.518 508 F HA 0.106 4.636 4.527 0.006 0.000 0.359 508 F C -0.742 175.142 175.800 0.139 0.000 1.118 508 F CA 0.228 58.225 58.000 -0.005 0.000 1.287 508 F CB 0.342 39.218 39.000 -0.206 0.000 1.132 508 F HN 0.402 nan 8.300 nan 0.000 0.587 509 Y N 5.939 125.780 120.300 -0.764 0.000 2.462 509 Y HA 0.627 5.179 4.550 0.005 0.000 0.346 509 Y C -1.829 173.450 175.900 -1.035 0.000 0.976 509 Y CA -1.076 56.689 58.100 -0.559 0.000 1.044 509 Y CB 1.597 39.935 38.460 -0.202 0.000 1.230 509 Y HN 0.566 nan 8.280 nan 0.000 0.455 510 V N 6.214 125.346 119.914 -1.304 0.000 2.789 510 V HA 0.272 4.395 4.120 0.005 0.000 0.311 510 V C 0.077 175.587 176.094 -0.975 0.000 1.073 510 V CA -0.387 61.378 62.300 -0.892 0.000 0.921 510 V CB 1.595 33.226 31.823 -0.320 0.000 1.009 510 V HN 1.061 nan 8.190 nan 0.000 0.426 511 H N 3.188 121.996 119.070 -0.437 0.000 2.457 511 H HA 0.356 4.914 4.556 0.005 0.000 0.294 511 H C 0.745 176.049 175.328 -0.040 0.000 1.064 511 H CA 1.098 57.063 56.048 -0.137 0.000 1.330 511 H CB 0.176 30.031 29.762 0.156 0.000 1.395 511 H HN 0.576 nan 8.280 nan 0.000 0.541 512 S N -1.073 114.345 115.700 -0.470 0.000 2.552 512 S HA 0.444 4.916 4.470 0.005 0.000 0.272 512 S C -1.628 172.917 174.600 -0.092 0.000 1.150 512 S CA -0.510 57.562 58.200 -0.213 0.000 0.849 512 S CB 1.608 64.730 63.200 -0.130 0.000 1.113 512 S HN 0.383 nan 8.310 nan 0.000 0.458 513 S N 3.303 119.036 115.700 0.055 0.000 2.552 513 S HA 0.720 5.193 4.470 0.005 0.000 0.314 513 S C -2.906 171.565 174.600 -0.216 0.000 1.099 513 S CA -1.583 56.689 58.200 0.119 0.000 1.070 513 S CB 1.335 64.831 63.200 0.492 0.000 0.998 513 S HN 0.523 nan 8.310 nan 0.000 0.474 514 P HA 0.171 nan 4.420 nan 0.000 0.279 514 P C 0.082 177.297 177.300 -0.141 0.000 1.239 514 P CA -0.399 62.543 63.100 -0.263 0.000 0.789 514 P CB 0.339 31.881 31.700 -0.263 0.000 0.933 515 Y N 2.496 122.709 120.300 -0.144 0.000 2.395 515 Y HA 0.096 4.648 4.550 0.004 0.000 0.293 515 Y C 1.299 177.205 175.900 0.011 0.000 1.123 515 Y CA 1.002 59.005 58.100 -0.163 0.000 1.227 515 Y CB -0.257 38.079 38.460 -0.206 0.000 1.012 515 Y HN 0.159 nan 8.280 nan 0.000 0.552 516 L N -0.408 120.716 121.223 -0.165 0.000 2.718 516 L HA 0.553 4.896 4.340 0.005 0.000 0.247 516 L C 0.685 177.558 176.870 0.005 0.000 1.028 516 L CA 0.696 55.538 54.840 0.005 0.000 1.031 516 L CB -0.588 41.511 42.059 0.067 0.000 1.910 516 L HN 0.179 nan 8.230 nan 0.000 0.526 517 A N 2.280 125.047 122.820 -0.088 0.000 2.511 517 A HA 0.242 4.565 4.320 0.005 0.000 0.242 517 A C 0.060 177.719 177.584 0.125 0.000 1.069 517 A CA 0.198 52.276 52.037 0.069 0.000 0.763 517 A CB -0.213 18.840 19.000 0.090 0.000 1.001 517 A HN 0.566 nan 8.150 nan 0.000 0.498 518 N N 2.534 121.333 118.700 0.164 0.000 2.238 518 N HA 0.177 4.920 4.740 0.005 0.000 0.302 518 N C 0.815 176.512 175.510 0.312 0.000 1.072 518 N CA -0.681 52.420 53.050 0.085 0.000 0.792 518 N CB 1.041 39.306 38.487 -0.371 0.000 1.425 518 N HN 0.875 nan 8.380 nan 0.000 0.478 519 W N 2.914 124.385 121.300 0.286 0.000 2.465 519 W HA 0.150 4.813 4.660 0.004 0.000 0.268 519 W C 0.593 177.406 176.519 0.490 0.000 1.242 519 W CA 0.770 58.340 57.345 0.375 0.000 1.248 519 W CB -0.421 29.205 29.460 0.275 0.000 1.118 519 W HN 0.565 nan 8.180 nan 0.000 0.587 520 G N 1.308 109.999 108.800 -0.182 0.000 2.985 520 G HA2 0.067 4.030 3.960 0.005 0.000 0.209 520 G HA3 0.067 4.030 3.960 0.005 0.000 0.209 520 G C 0.640 175.456 174.900 -0.140 0.000 1.165 520 G CA -0.538 44.376 45.100 -0.310 0.000 0.776 520 G HN 0.137 nan 8.290 nan 0.000 0.541 521 R N 0.195 120.633 120.500 -0.103 0.000 2.513 521 R HA 0.233 4.576 4.340 0.005 0.000 0.283 521 R C -2.169 173.714 176.300 -0.695 0.000 1.535 521 R CA -1.589 54.330 56.100 -0.303 0.000 1.315 521 R CB 2.039 32.175 30.300 -0.272 0.000 1.163 521 R HN -0.066 nan 8.270 nan 0.000 0.573 522 P HA -0.268 nan 4.420 nan 0.000 0.217 522 P C 1.163 177.884 177.300 -0.965 0.000 1.148 522 P CA 1.224 63.124 63.100 -2.000 0.000 0.828 522 P CB 0.280 31.260 31.700 -1.201 0.000 0.783 523 E N 0.309 120.199 120.200 -0.517 0.000 2.209 523 E HA -0.167 4.186 4.350 0.005 0.000 0.196 523 E C 1.481 178.001 176.600 -0.134 0.000 0.993 523 E CA 1.969 58.226 56.400 -0.238 0.000 0.819 523 E CB -0.950 28.658 29.700 -0.154 0.000 0.745 523 E HN 0.369 nan 8.360 nan 0.000 0.477 524 S N -0.940 114.663 115.700 -0.162 0.000 2.517 524 S HA 0.024 4.497 4.470 0.005 0.000 0.214 524 S C 1.348 176.047 174.600 0.165 0.000 0.991 524 S CA -0.401 57.804 58.200 0.009 0.000 0.906 524 S CB -0.540 62.677 63.200 0.028 0.000 0.789 524 S HN 0.265 nan 8.310 nan 0.000 0.513 525 W N 2.501 123.836 121.300 0.059 0.000 2.525 525 W HA 0.324 4.987 4.660 0.004 0.000 0.259 525 W C 2.052 178.632 176.519 0.103 0.000 1.253 525 W CA 0.167 57.561 57.345 0.083 0.000 1.262 525 W CB -1.302 28.231 29.460 0.122 0.000 1.122 525 W HN 0.528 nan 8.180 nan 0.000 0.607 526 G N -0.570 108.416 108.800 0.310 0.000 3.088 526 G HA2 0.042 4.005 3.960 0.005 0.000 0.212 526 G HA3 0.042 4.005 3.960 0.005 0.000 0.212 526 G C 0.002 174.966 174.900 0.107 0.000 1.173 526 G CA 0.154 45.382 45.100 0.213 0.000 0.779 526 G HN 0.019 nan 8.290 nan 0.000 0.540 527 T N 1.066 115.675 114.554 0.093 0.000 2.963 527 T HA 0.569 4.922 4.350 0.005 0.000 0.343 527 T C 0.889 175.511 174.700 -0.130 0.000 1.146 527 T CA 0.203 62.332 62.100 0.049 0.000 1.016 527 T CB 1.122 70.029 68.868 0.065 0.000 1.046 527 T HN 0.774 nan 8.240 nan 0.000 0.496 528 G N 4.194 112.979 108.800 -0.026 0.000 2.564 528 G HA2 -0.217 3.746 3.960 0.005 0.000 0.273 528 G HA3 -0.217 3.746 3.960 0.005 0.000 0.273 528 G C -0.467 174.263 174.900 -0.283 0.000 1.242 528 G CA 0.018 45.009 45.100 -0.181 0.000 0.951 528 G HN 0.856 nan 8.290 nan 0.000 0.564 529 D N 0.043 120.097 120.400 -0.577 0.000 2.283 529 D HA 0.589 5.232 4.640 0.005 0.000 0.248 529 D C -0.207 176.015 176.300 -0.130 0.000 1.072 529 D CA 0.119 53.923 54.000 -0.325 0.000 0.929 529 D CB 1.532 42.037 40.800 -0.492 0.000 1.182 529 D HN 0.450 nan 8.370 nan 0.000 0.433 530 S N -0.258 115.458 115.700 0.026 0.000 2.503 530 S HA 0.260 4.733 4.470 0.005 0.000 0.301 530 S C -0.654 174.095 174.600 0.249 0.000 1.087 530 S CA -0.709 57.535 58.200 0.075 0.000 1.042 530 S CB 1.034 64.209 63.200 -0.042 0.000 1.043 530 S HN 0.395 nan 8.310 nan 0.000 0.489 531 H N 2.547 121.677 119.070 0.101 0.000 2.741 531 H HA 0.205 4.764 4.556 0.005 0.000 0.261 531 H C -0.287 175.080 175.328 0.066 0.000 1.365 531 H CA -0.601 55.524 56.048 0.129 0.000 1.266 531 H CB 0.302 30.317 29.762 0.421 0.000 1.485 531 H HN 0.325 nan 8.280 nan 0.000 0.529 532 N N 2.883 121.529 118.700 -0.089 0.000 2.466 532 N HA -0.058 4.684 4.740 0.005 0.000 0.263 532 N C -0.362 174.899 175.510 -0.416 0.000 1.178 532 N CA -0.177 52.782 53.050 -0.152 0.000 0.983 532 N CB 0.033 38.367 38.487 -0.255 0.000 1.331 532 N HN 0.566 nan 8.380 nan 0.000 0.500 533 W N 1.828 122.985 121.300 -0.239 0.000 3.305 533 W HA 0.360 5.023 4.660 0.005 0.000 0.392 533 W C 1.845 177.679 176.519 -1.141 0.000 1.121 533 W CA -0.684 56.365 57.345 -0.495 0.000 1.909 533 W CB 0.320 29.683 29.460 -0.162 0.000 1.065 533 W HN 0.583 nan 8.180 nan 0.000 0.714 534 G N 0.475 108.808 108.800 -0.778 0.000 2.446 534 G HA2 -0.207 3.756 3.960 0.005 0.000 0.217 534 G HA3 -0.207 3.756 3.960 0.005 0.000 0.217 534 G C 0.647 175.446 174.900 -0.167 0.000 1.168 534 G CA 0.548 45.359 45.100 -0.481 0.000 0.771 534 G HN -0.027 nan 8.290 nan 0.000 0.551 535 V N 0.857 120.748 119.914 -0.039 0.000 2.614 535 V HA 0.264 4.387 4.120 0.005 0.000 0.291 535 V C 0.810 177.061 176.094 0.263 0.000 1.049 535 V CA -0.002 62.368 62.300 0.116 0.000 1.038 535 V CB 0.465 32.364 31.823 0.127 0.000 0.980 535 V HN 0.616 nan 8.190 nan 0.000 0.481 536 W N 3.563 124.899 121.300 0.061 0.000 1.767 536 W HA -0.393 4.269 4.660 0.005 0.000 0.273 536 W C 1.360 177.838 176.519 -0.069 0.000 1.874 536 W CA 1.685 58.998 57.345 -0.054 0.000 2.171 536 W CB -1.419 28.062 29.460 0.036 0.000 0.970 536 W HN 0.583 nan 8.180 nan 0.000 0.439 537 Y N 1.210 121.592 120.300 0.137 0.000 2.181 537 Y HA 0.023 4.576 4.550 0.005 0.000 0.288 537 Y C 2.639 178.509 175.900 -0.050 0.000 1.146 537 Y CA 2.479 60.554 58.100 -0.041 0.000 1.164 537 Y CB -1.430 37.093 38.460 0.106 0.000 0.982 537 Y HN 0.280 nan 8.280 nan 0.000 0.515 538 G N -0.757 107.971 108.800 -0.120 0.000 3.088 538 G HA2 0.002 3.965 3.960 0.005 0.000 0.212 538 G HA3 0.002 3.965 3.960 0.005 0.000 0.212 538 G C 0.703 175.670 174.900 0.111 0.000 1.173 538 G CA 0.104 45.261 45.100 0.096 0.000 0.779 538 G HN 0.349 nan 8.290 nan 0.000 0.540 539 K N -0.970 119.479 120.400 0.081 0.000 3.274 539 K HA -0.195 4.128 4.320 0.005 0.000 0.305 539 K C 0.289 176.875 176.600 -0.024 0.000 1.225 539 K CA 0.842 57.175 56.287 0.077 0.000 0.904 539 K CB -0.982 31.509 32.500 -0.016 0.000 1.227 539 K HN 0.418 nan 8.250 nan 0.000 0.453 540 K N 1.597 122.031 120.400 0.056 0.000 2.436 540 K HA 0.079 4.402 4.320 0.005 0.000 0.275 540 K C -2.152 174.400 176.600 -0.080 0.000 0.999 540 K CA -1.231 55.060 56.287 0.006 0.000 0.980 540 K CB 0.231 32.770 32.500 0.066 0.000 0.919 540 K HN -0.056 nan 8.250 nan 0.000 0.484 541 P HA -0.043 nan 4.420 nan 0.000 0.272 541 P C 0.160 177.408 177.300 -0.086 0.000 1.223 541 P CA 0.010 62.995 63.100 -0.192 0.000 0.784 541 P CB 0.341 31.976 31.700 -0.109 0.000 0.923 542 F N 0.572 120.574 119.950 0.087 0.000 2.236 542 F HA -0.193 4.337 4.527 0.005 0.000 0.302 542 F C 2.120 177.964 175.800 0.073 0.000 1.073 542 F CA 1.664 59.702 58.000 0.062 0.000 1.336 542 F CB -1.185 37.796 39.000 -0.032 0.000 1.040 542 F HN 0.323 nan 8.300 nan 0.000 0.507 543 E N -0.099 120.202 120.200 0.167 0.000 2.265 543 E HA -0.158 4.195 4.350 0.005 0.000 0.196 543 E C 2.297 178.978 176.600 0.135 0.000 0.996 543 E CA 1.145 57.631 56.400 0.144 0.000 0.832 543 E CB -0.563 29.169 29.700 0.054 0.000 0.756 543 E HN 0.390 nan 8.360 nan 0.000 0.491 544 S N 0.182 115.942 115.700 0.099 0.000 2.442 544 S HA -0.131 4.342 4.470 0.005 0.000 0.236 544 S C 1.785 176.417 174.600 0.054 0.000 1.007 544 S CA 0.677 58.924 58.200 0.078 0.000 0.965 544 S CB -0.375 62.867 63.200 0.070 0.000 0.773 544 S HN 0.261 nan 8.310 nan 0.000 0.504 545 L N 1.065 122.329 121.223 0.068 0.000 2.376 545 L HA 0.014 4.356 4.340 0.005 0.000 0.219 545 L C 1.944 178.774 176.870 -0.066 0.000 1.133 545 L CA 0.821 55.647 54.840 -0.023 0.000 0.816 545 L CB -0.466 41.560 42.059 -0.055 0.000 0.933 545 L HN 0.247 nan 8.230 nan 0.000 0.449 546 D N -0.555 119.842 120.400 -0.005 0.000 2.194 546 D HA -0.097 4.546 4.640 0.005 0.000 0.204 546 D C 2.142 178.434 176.300 -0.014 0.000 0.964 546 D CA 1.884 55.862 54.000 -0.038 0.000 0.846 546 D CB 0.189 41.005 40.800 0.027 0.000 0.962 546 D HN 0.407 nan 8.370 nan 0.000 0.490 547 T N -2.204 112.366 114.554 0.026 0.000 3.023 547 T HA 0.028 4.381 4.350 0.005 0.000 0.249 547 T C 0.453 175.207 174.700 0.090 0.000 1.050 547 T CA -0.162 61.971 62.100 0.055 0.000 1.088 547 T CB 0.248 69.170 68.868 0.089 0.000 0.946 547 T HN -0.241 nan 8.240 nan 0.000 0.480 548 D N 2.093 122.515 120.400 0.036 0.000 2.524 548 D HA 0.463 5.106 4.640 0.005 0.000 0.222 548 D C -0.712 175.464 176.300 -0.207 0.000 1.142 548 D CA -0.146 53.799 54.000 -0.092 0.000 0.973 548 D CB 0.409 41.009 40.800 -0.332 0.000 1.025 548 D HN 0.412 nan 8.370 nan 0.000 0.519 549 L N 2.974 124.201 121.223 0.007 0.000 2.322 549 L HA 0.516 4.859 4.340 0.005 0.000 0.279 549 L C -2.083 174.893 176.870 0.177 0.000 1.036 549 L CA -1.651 53.230 54.840 0.069 0.000 0.807 549 L CB 1.921 44.037 42.059 0.094 0.000 1.226 549 L HN 0.062 nan 8.230 nan 0.000 0.433 550 P HA 0.390 nan 4.420 nan 0.000 0.287 550 P C -0.409 176.960 177.300 0.114 0.000 1.292 550 P CA -0.759 62.383 63.100 0.069 0.000 0.879 550 P CB 1.504 33.120 31.700 -0.140 0.000 1.214 551 R N -0.192 120.327 120.500 0.033 0.000 2.153 551 R HA 0.220 4.563 4.340 0.005 0.000 0.218 551 R C 0.181 176.588 176.300 0.178 0.000 1.072 551 R CA 0.727 56.817 56.100 -0.016 0.000 0.990 551 R CB -0.789 29.517 30.300 0.011 0.000 0.889 551 R HN 0.571 nan 8.270 nan 0.000 0.452 552 F N -0.271 119.664 119.950 -0.025 0.000 2.670 552 F HA 0.268 4.797 4.527 0.004 0.000 0.332 552 F C -1.239 174.489 175.800 -0.120 0.000 1.179 552 F CA -1.144 56.845 58.000 -0.017 0.000 1.076 552 F CB 1.269 40.385 39.000 0.193 0.000 1.322 552 F HN -0.245 nan 8.300 nan 0.000 0.515 553 M N 5.216 124.591 119.600 -0.375 0.000 2.151 553 M HA 0.244 4.727 4.480 0.005 0.000 0.349 553 M C 0.442 176.704 176.300 -0.063 0.000 1.284 553 M CA 0.284 55.407 55.300 -0.294 0.000 1.173 553 M CB 0.669 32.848 32.600 -0.703 0.000 1.469 553 M HN 0.534 nan 8.290 nan 0.000 0.439 554 S N 2.289 118.093 115.700 0.173 0.000 2.501 554 S HA 0.260 4.733 4.470 0.005 0.000 0.220 554 S C 0.168 174.653 174.600 -0.192 0.000 0.997 554 S CA -0.019 58.215 58.200 0.055 0.000 0.919 554 S CB -0.070 63.151 63.200 0.033 0.000 0.778 554 S HN 0.741 nan 8.310 nan 0.000 0.523 555 E N -0.007 120.074 120.200 -0.198 0.000 2.335 555 E HA 0.585 4.937 4.350 0.005 0.000 0.280 555 E C -1.646 174.817 176.600 -0.229 0.000 0.918 555 E CA -0.769 55.459 56.400 -0.285 0.000 0.765 555 E CB 2.425 31.817 29.700 -0.513 0.000 1.218 555 E HN 0.449 nan 8.360 nan 0.000 0.425 556 F N -0.472 119.142 119.950 -0.559 0.000 2.693 556 F HA 0.852 5.382 4.527 0.005 0.000 0.309 556 F C -0.659 174.752 175.800 -0.649 0.000 1.129 556 F CA -0.620 56.860 58.000 -0.867 0.000 0.948 556 F CB 1.714 40.446 39.000 -0.447 0.000 1.315 556 F HN 0.540 nan 8.300 nan 0.000 0.447 557 G N 0.950 109.181 108.800 -0.947 0.000 2.576 557 G HA2 0.586 4.549 3.960 0.005 0.000 0.290 557 G HA3 0.586 4.549 3.960 0.005 0.000 0.290 557 G C -2.811 172.194 174.900 0.174 0.000 1.442 557 G CA -0.884 43.984 45.100 -0.386 0.000 0.792 557 G HN 1.046 nan 8.290 nan 0.000 0.491 558 F N 0.016 120.010 119.950 0.073 0.000 2.615 558 F HA 0.551 5.081 4.527 0.005 0.000 0.312 558 F C -0.214 175.385 175.800 -0.336 0.000 1.119 558 F CA -0.682 57.303 58.000 -0.025 0.000 0.979 558 F CB 2.059 41.115 39.000 0.092 0.000 1.266 558 F HN 0.527 nan 8.300 nan 0.000 0.444 559 Q N 2.524 121.472 119.800 -1.420 0.000 2.312 559 Q HA 0.620 4.963 4.340 0.005 0.000 0.236 559 Q C -0.896 174.752 176.000 -0.587 0.000 0.965 559 Q CA -0.473 54.570 55.803 -1.266 0.000 0.894 559 Q CB 1.757 29.433 28.738 -1.770 0.000 1.225 559 Q HN 0.698 nan 8.270 nan 0.000 0.478 560 S N 0.266 115.707 115.700 -0.431 0.000 2.541 560 S HA 0.503 4.976 4.470 0.005 0.000 0.271 560 S C -0.830 173.669 174.600 -0.169 0.000 1.133 560 S CA -0.881 57.201 58.200 -0.198 0.000 0.876 560 S CB 0.571 63.666 63.200 -0.175 0.000 1.105 560 S HN 0.422 nan 8.310 nan 0.000 0.470 561 F N 3.332 123.182 119.950 -0.166 0.000 2.572 561 F HA 0.288 4.818 4.527 0.005 0.000 0.370 561 F C -1.285 174.447 175.800 -0.113 0.000 1.103 561 F CA -0.807 57.136 58.000 -0.095 0.000 1.286 561 F CB 0.636 39.617 39.000 -0.033 0.000 1.105 561 F HN 0.438 nan 8.300 nan 0.000 0.583 562 P HA 0.019 nan 4.420 nan 0.000 0.273 562 P C -0.826 176.542 177.300 0.113 0.000 1.250 562 P CA -0.477 62.663 63.100 0.066 0.000 0.793 562 P CB 0.588 32.343 31.700 0.092 0.000 1.011 563 E N 0.901 121.167 120.200 0.109 0.000 2.428 563 E HA 0.008 4.361 4.350 0.005 0.000 0.257 563 E C 1.107 177.783 176.600 0.126 0.000 1.197 563 E CA -0.564 55.925 56.400 0.148 0.000 0.974 563 E CB 0.087 29.953 29.700 0.277 0.000 0.976 563 E HN 0.187 nan 8.360 nan 0.000 0.463 564 M N 1.017 120.682 119.600 0.108 0.000 2.159 564 M HA -0.154 4.329 4.480 0.005 0.000 0.263 564 M C 2.062 178.344 176.300 -0.030 0.000 1.063 564 M CA 2.011 57.312 55.300 0.002 0.000 1.110 564 M CB -1.226 31.376 32.600 0.005 0.000 1.374 564 M HN 0.668 nan 8.290 nan 0.000 0.411 565 K N -1.057 119.362 120.400 0.033 0.000 2.209 565 K HA -0.073 4.250 4.320 0.005 0.000 0.204 565 K C 1.645 178.233 176.600 -0.020 0.000 1.048 565 K CA 1.650 57.936 56.287 -0.001 0.000 0.940 565 K CB -0.626 31.881 32.500 0.011 0.000 0.729 565 K HN 0.152 nan 8.250 nan 0.000 0.451 566 T N 1.862 116.456 114.554 0.067 0.000 2.809 566 T HA 0.066 4.418 4.350 0.005 0.000 0.260 566 T C 1.934 176.735 174.700 0.168 0.000 1.039 566 T CA 0.962 63.186 62.100 0.206 0.000 1.141 566 T CB -0.172 68.906 68.868 0.350 0.000 0.869 566 T HN 0.145 nan 8.240 nan 0.000 0.437 567 I N 1.761 122.310 120.570 -0.036 0.000 2.151 567 I HA -0.257 3.916 4.170 0.005 0.000 0.243 567 I C 2.818 178.506 176.117 -0.715 0.000 1.080 567 I CA 1.369 62.325 61.300 -0.572 0.000 1.339 567 I CB -0.478 37.312 38.000 -0.350 0.000 1.039 567 I HN 0.188 nan 8.210 nan 0.000 0.409 568 A N 0.377 122.973 122.820 -0.374 0.000 2.186 568 A HA -0.049 4.274 4.320 0.005 0.000 0.219 568 A C 2.357 179.960 177.584 0.031 0.000 1.159 568 A CA 1.611 53.582 52.037 -0.110 0.000 0.680 568 A CB -0.602 18.396 19.000 -0.003 0.000 0.787 568 A HN 0.495 nan 8.150 nan 0.000 0.467 569 A N -0.492 122.351 122.820 0.037 0.000 2.030 569 A HA 0.252 4.575 4.320 0.005 0.000 0.215 569 A C 1.518 179.396 177.584 0.491 0.000 1.164 569 A CA 0.942 53.138 52.037 0.265 0.000 0.697 569 A CB -0.493 18.712 19.000 0.341 0.000 0.827 569 A HN 0.876 nan 8.150 nan 0.000 0.457 570 F N -2.541 117.527 119.950 0.196 0.000 2.664 570 F HA 0.745 5.275 4.527 0.005 0.000 0.303 570 F C 0.395 175.960 175.800 -0.390 0.000 1.092 570 F CA -0.257 57.773 58.000 0.050 0.000 1.305 570 F CB -0.054 38.623 39.000 -0.539 0.000 1.054 570 F HN 0.187 nan 8.300 nan 0.000 0.565 571 A N 0.879 123.857 122.820 0.263 0.000 2.589 571 A HA 0.794 5.117 4.320 0.005 0.000 0.296 571 A C -0.813 177.107 177.584 0.559 0.000 1.062 571 A CA -0.548 51.692 52.037 0.339 0.000 0.686 571 A CB 0.547 19.503 19.000 -0.074 0.000 1.282 571 A HN 0.428 nan 8.150 nan 0.000 0.404 572 A N 2.670 125.736 122.820 0.410 0.000 2.322 572 A HA 0.725 5.048 4.320 0.005 0.000 0.269 572 A C -1.233 176.107 177.584 -0.407 0.000 1.094 572 A CA -1.290 50.792 52.037 0.075 0.000 0.807 572 A CB -0.002 19.022 19.000 0.040 0.000 1.047 572 A HN 0.568 nan 8.150 nan 0.000 0.487 573 P HA -0.208 nan 4.420 nan 0.000 0.218 573 P C 0.851 177.517 177.300 -1.058 0.000 1.148 573 P CA 1.461 63.630 63.100 -1.550 0.000 0.822 573 P CB -0.014 31.356 31.700 -0.549 0.000 0.784 574 E N -0.393 119.508 120.200 -0.499 0.000 2.533 574 E HA -0.152 4.201 4.350 0.005 0.000 0.201 574 E C 0.753 177.192 176.600 -0.269 0.000 1.097 574 E CA 0.693 56.915 56.400 -0.297 0.000 0.887 574 E CB -0.865 28.738 29.700 -0.161 0.000 0.855 574 E HN 0.270 nan 8.360 nan 0.000 0.540 575 D N -0.197 119.969 120.400 -0.390 0.000 2.469 575 D HA 0.007 4.649 4.640 0.005 0.000 0.213 575 D C -0.561 175.685 176.300 -0.091 0.000 1.135 575 D CA -0.187 53.709 54.000 -0.173 0.000 0.834 575 D CB 0.322 41.096 40.800 -0.043 0.000 1.009 575 D HN 0.097 nan 8.370 nan 0.000 0.507 576 Y N 2.954 123.041 120.300 -0.355 0.000 2.735 576 Y HA 0.239 4.792 4.550 0.005 0.000 0.354 576 Y C 0.782 176.021 175.900 -1.102 0.000 1.288 576 Y CA -0.598 57.061 58.100 -0.735 0.000 1.836 576 Y CB -0.613 37.586 38.460 -0.435 0.000 1.920 576 Y HN -0.008 nan 8.280 nan 0.000 0.438 577 Q N -0.851 118.489 119.800 -0.767 0.000 2.423 577 Q HA 0.412 4.755 4.340 0.005 0.000 0.278 577 Q C 0.639 176.413 176.000 -0.377 0.000 1.097 577 Q CA -0.855 54.533 55.803 -0.691 0.000 0.809 577 Q CB 1.608 30.204 28.738 -0.237 0.000 1.391 577 Q HN 0.407 nan 8.270 nan 0.000 0.428 578 I N 0.178 120.741 120.570 -0.011 0.000 2.181 578 I HA -0.311 3.862 4.170 0.005 0.000 0.247 578 I C 0.187 176.416 176.117 0.186 0.000 1.081 578 I CA 1.813 63.251 61.300 0.230 0.000 1.340 578 I CB 0.064 38.066 38.000 0.003 0.000 1.036 578 I HN 0.621 nan 8.210 nan 0.000 0.417 579 E N 0.508 120.735 120.200 0.045 0.000 2.101 579 E HA 0.288 4.641 4.350 0.005 0.000 0.260 579 E C -0.634 175.960 176.600 -0.011 0.000 0.897 579 E CA -0.296 56.128 56.400 0.040 0.000 0.744 579 E CB 1.086 30.804 29.700 0.030 0.000 1.140 579 E HN 0.205 nan 8.360 nan 0.000 0.419 580 S N 1.293 116.995 115.700 0.002 0.000 2.671 580 S HA 0.346 4.819 4.470 0.005 0.000 0.299 580 S C 0.856 175.478 174.600 0.037 0.000 1.116 580 S CA -0.898 57.299 58.200 -0.005 0.000 0.912 580 S CB 1.839 65.016 63.200 -0.037 0.000 1.130 580 S HN 0.397 nan 8.310 nan 0.000 0.501 581 E N 0.769 120.992 120.200 0.038 0.000 2.028 581 E HA -0.115 4.238 4.350 0.005 0.000 0.191 581 E C 1.876 178.530 176.600 0.091 0.000 0.988 581 E CA 1.653 58.089 56.400 0.060 0.000 0.799 581 E CB -0.801 28.926 29.700 0.046 0.000 0.755 581 E HN 0.495 nan 8.360 nan 0.000 0.447 582 V N 1.544 121.503 119.914 0.076 0.000 2.313 582 V HA -0.326 3.797 4.120 0.005 0.000 0.253 582 V C 2.744 178.956 176.094 0.198 0.000 1.070 582 V CA 2.410 64.757 62.300 0.079 0.000 1.057 582 V CB -0.663 31.125 31.823 -0.058 0.000 0.653 582 V HN 0.326 nan 8.190 nan 0.000 0.450 583 M N 1.548 121.239 119.600 0.151 0.000 2.175 583 M HA -0.108 4.374 4.480 0.005 0.000 0.264 583 M C 1.323 177.779 176.300 0.258 0.000 1.063 583 M CA 2.343 57.783 55.300 0.233 0.000 1.119 583 M CB -0.526 32.178 32.600 0.173 0.000 1.377 583 M HN 0.714 nan 8.290 nan 0.000 0.415 584 N N -1.353 117.453 118.700 0.177 0.000 2.377 584 N HA 0.530 5.273 4.740 0.005 0.000 0.259 584 N C 0.252 175.802 175.510 0.068 0.000 1.332 584 N CA 0.444 53.560 53.050 0.110 0.000 0.877 584 N CB 0.622 39.166 38.487 0.096 0.000 1.299 584 N HN 0.326 nan 8.380 nan 0.000 0.501 585 A N 0.594 123.461 122.820 0.078 0.000 1.452 585 A HA -0.308 4.015 4.320 0.005 0.000 0.309 585 A C -0.026 177.589 177.584 0.053 0.000 2.021 585 A CA 1.357 53.477 52.037 0.140 0.000 1.085 585 A CB -1.799 17.351 19.000 0.249 0.000 1.466 585 A HN 0.581 nan 8.150 nan 0.000 0.717 586 H N 0.357 119.370 119.070 -0.094 0.000 2.474 586 H HA 0.658 5.217 4.556 0.005 0.000 0.250 586 H C -0.193 174.903 175.328 -0.386 0.000 1.307 586 H CA 0.843 56.633 56.048 -0.430 0.000 1.058 586 H CB 0.846 30.028 29.762 -0.968 0.000 1.693 586 H HN 0.677 nan 8.280 nan 0.000 0.552 587 Q N 0.819 120.559 119.800 -0.100 0.000 2.352 587 Q HA 0.349 4.692 4.340 0.005 0.000 0.270 587 Q C -0.844 175.141 176.000 -0.024 0.000 1.006 587 Q CA -0.670 55.057 55.803 -0.126 0.000 0.880 587 Q CB 1.201 29.859 28.738 -0.132 0.000 1.392 587 Q HN 0.066 nan 8.270 nan 0.000 0.401 588 K N 1.171 121.568 120.400 -0.005 0.000 2.585 588 K HA 0.211 4.534 4.320 0.005 0.000 0.210 588 K C -0.143 176.507 176.600 0.084 0.000 1.294 588 K CA -0.105 56.209 56.287 0.045 0.000 1.025 588 K CB 1.329 33.911 32.500 0.137 0.000 1.076 588 K HN 0.502 nan 8.250 nan 0.000 0.613 589 S N 1.267 117.044 115.700 0.129 0.000 2.617 589 S HA 0.120 4.593 4.470 0.005 0.000 0.269 589 S C 1.350 176.085 174.600 0.225 0.000 1.292 589 S CA 0.065 58.449 58.200 0.306 0.000 1.010 589 S CB 1.155 64.668 63.200 0.522 0.000 0.944 589 S HN 0.312 nan 8.310 nan 0.000 0.536 590 S N 1.830 117.689 115.700 0.264 0.000 2.555 590 S HA 0.197 4.670 4.470 0.005 0.000 0.230 590 S C 0.594 175.277 174.600 0.139 0.000 0.978 590 S CA 0.585 58.867 58.200 0.137 0.000 0.934 590 S CB -1.071 62.157 63.200 0.046 0.000 0.766 590 S HN 1.152 nan 8.310 nan 0.000 0.533 591 I N -0.429 120.258 120.570 0.194 0.000 2.619 591 I HA 0.895 5.068 4.170 0.005 0.000 0.292 591 I C 0.603 176.723 176.117 0.005 0.000 1.100 591 I CA -0.637 60.677 61.300 0.022 0.000 1.043 591 I CB 1.204 39.142 38.000 -0.103 0.000 1.239 591 I HN 0.318 nan 8.210 nan 0.000 0.420 592 G N 1.635 110.427 108.800 -0.013 0.000 3.244 592 G HA2 0.279 4.242 3.960 0.005 0.000 0.197 592 G HA3 0.279 4.242 3.960 0.005 0.000 0.197 592 G C 0.695 175.646 174.900 0.086 0.000 1.531 592 G CA 0.713 45.857 45.100 0.075 0.000 0.747 592 G HN 0.651 nan 8.290 nan 0.000 0.763 593 N N 1.403 120.168 118.700 0.109 0.000 2.137 593 N HA -0.178 4.564 4.740 0.005 0.000 0.190 593 N C 2.509 178.131 175.510 0.187 0.000 1.017 593 N CA 1.850 55.033 53.050 0.221 0.000 0.859 593 N CB -0.431 38.219 38.487 0.272 0.000 1.002 593 N HN 0.417 nan 8.380 nan 0.000 0.428 594 S N 0.689 116.443 115.700 0.089 0.000 2.383 594 S HA -0.097 4.375 4.470 0.005 0.000 0.229 594 S C 1.935 176.566 174.600 0.052 0.000 1.030 594 S CA 0.610 58.846 58.200 0.060 0.000 1.002 594 S CB -0.544 62.667 63.200 0.018 0.000 0.829 594 S HN 0.160 nan 8.310 nan 0.000 0.467 595 L N 1.580 122.769 121.223 -0.058 0.000 2.083 595 L HA 0.132 4.475 4.340 0.005 0.000 0.209 595 L C 2.235 179.176 176.870 0.119 0.000 1.083 595 L CA 1.338 56.097 54.840 -0.134 0.000 0.752 595 L CB -0.800 40.809 42.059 -0.750 0.000 0.899 595 L HN 0.424 nan 8.230 nan 0.000 0.433 596 I N -1.175 119.513 120.570 0.196 0.000 2.179 596 I HA -0.321 3.852 4.170 0.005 0.000 0.242 596 I C 2.684 179.053 176.117 0.419 0.000 1.088 596 I CA 1.260 62.788 61.300 0.379 0.000 1.357 596 I CB -0.345 37.895 38.000 0.400 0.000 1.051 596 I HN 0.238 nan 8.210 nan 0.000 0.409 597 R N 0.498 121.238 120.500 0.401 0.000 2.073 597 R HA -0.167 4.176 4.340 0.005 0.000 0.234 597 R C 2.346 178.796 176.300 0.250 0.000 1.134 597 R CA 2.167 58.486 56.100 0.366 0.000 0.952 597 R CB -0.323 30.131 30.300 0.257 0.000 0.850 597 R HN 0.264 nan 8.270 nan 0.000 0.433 598 T N -0.092 114.582 114.554 0.201 0.000 2.635 598 T HA -0.210 4.143 4.350 0.005 0.000 0.267 598 T C 1.460 176.245 174.700 0.141 0.000 1.040 598 T CA 1.823 63.998 62.100 0.125 0.000 1.156 598 T CB -0.436 68.471 68.868 0.064 0.000 0.863 598 T HN 0.312 nan 8.240 nan 0.000 0.430 599 Y N 0.495 120.879 120.300 0.140 0.000 2.200 599 Y HA 0.042 4.595 4.550 0.005 0.000 0.290 599 Y C 2.561 178.551 175.900 0.151 0.000 1.137 599 Y CA 0.999 59.184 58.100 0.143 0.000 1.163 599 Y CB -0.395 38.236 38.460 0.284 0.000 0.988 599 Y HN 0.128 nan 8.280 nan 0.000 0.518 600 M N -0.072 119.728 119.600 0.333 0.000 2.082 600 M HA -0.273 4.210 4.480 0.005 0.000 0.258 600 M C 2.304 178.727 176.300 0.205 0.000 1.069 600 M CA 1.942 57.378 55.300 0.228 0.000 1.102 600 M CB -0.179 32.471 32.600 0.084 0.000 1.336 600 M HN 0.175 nan 8.290 nan 0.000 0.404 601 E N 0.613 120.898 120.200 0.143 0.000 2.204 601 E HA -0.209 4.143 4.350 0.005 0.000 0.195 601 E C 1.791 178.405 176.600 0.023 0.000 0.990 601 E CA 1.279 57.724 56.400 0.075 0.000 0.821 601 E CB -0.124 29.612 29.700 0.060 0.000 0.750 601 E HN 0.599 nan 8.360 nan 0.000 0.477 602 R N 0.033 120.543 120.500 0.016 0.000 2.152 602 R HA -0.079 4.263 4.340 0.005 0.000 0.232 602 R C 1.196 177.449 176.300 -0.078 0.000 1.117 602 R CA 1.383 57.458 56.100 -0.042 0.000 0.981 602 R CB 0.113 30.368 30.300 -0.075 0.000 0.870 602 R HN 0.129 nan 8.270 nan 0.000 0.451 603 D N -2.499 117.850 120.400 -0.085 0.000 2.486 603 D HA 0.110 4.753 4.640 0.005 0.000 0.243 603 D C -0.654 175.239 176.300 -0.679 0.000 1.146 603 D CA 0.328 54.117 54.000 -0.352 0.000 0.821 603 D CB 0.871 41.447 40.800 -0.374 0.000 1.201 603 D HN -0.007 nan 8.370 nan 0.000 0.525 604 Y N 0.037 120.279 120.300 -0.096 0.000 2.588 604 Y HA 0.438 4.990 4.550 0.005 0.000 0.343 604 Y C -0.112 175.720 175.900 -0.114 0.000 1.065 604 Y CA -0.951 57.079 58.100 -0.116 0.000 1.038 604 Y CB 1.525 39.903 38.460 -0.137 0.000 1.297 604 Y HN -0.328 nan 8.280 nan 0.000 0.467 605 I N 3.157 123.729 120.570 0.003 0.000 2.471 605 I HA 0.129 4.302 4.170 0.005 0.000 0.286 605 I C -0.273 175.869 176.117 0.041 0.000 1.079 605 I CA 0.233 61.482 61.300 -0.085 0.000 1.398 605 I CB 0.257 38.015 38.000 -0.403 0.000 1.403 605 I HN 0.340 nan 8.210 nan 0.000 0.530 606 I N 9.165 129.772 120.570 0.062 0.000 2.505 606 I HA 0.099 4.272 4.170 0.005 0.000 0.287 606 I C -1.905 174.297 176.117 0.142 0.000 1.104 606 I CA -1.367 60.010 61.300 0.128 0.000 1.387 606 I CB -0.142 37.958 38.000 0.167 0.000 1.404 606 I HN 0.328 nan 8.210 nan 0.000 0.528 607 P HA 0.101 nan 4.420 nan 0.000 0.272 607 P C 0.197 177.589 177.300 0.153 0.000 1.223 607 P CA -0.277 62.921 63.100 0.163 0.000 0.784 607 P CB 0.695 32.481 31.700 0.142 0.000 0.923 608 E N -0.150 120.120 120.200 0.117 0.000 2.216 608 E HA -0.031 4.321 4.350 0.005 0.000 0.192 608 E C 0.476 177.128 176.600 0.087 0.000 0.988 608 E CA 0.577 57.029 56.400 0.087 0.000 0.834 608 E CB 0.108 29.850 29.700 0.070 0.000 0.772 608 E HN 0.509 nan 8.360 nan 0.000 0.479 609 S N -0.760 115.001 115.700 0.101 0.000 2.617 609 S HA 0.142 4.615 4.470 0.005 0.000 0.283 609 S C 0.602 175.294 174.600 0.154 0.000 1.189 609 S CA -0.882 57.389 58.200 0.118 0.000 1.036 609 S CB 1.340 64.600 63.200 0.100 0.000 1.014 609 S HN 0.145 nan 8.310 nan 0.000 0.522 610 F N 1.770 121.737 119.950 0.027 0.000 2.069 610 F HA -0.072 4.458 4.527 0.005 0.000 0.298 610 F C 2.372 178.206 175.800 0.056 0.000 1.113 610 F CA 2.142 60.146 58.000 0.007 0.000 1.214 610 F CB -0.456 38.534 39.000 -0.017 0.000 0.978 610 F HN 0.858 nan 8.300 nan 0.000 0.474 611 E N -0.024 120.227 120.200 0.085 0.000 2.070 611 E HA -0.266 4.087 4.350 0.005 0.000 0.197 611 E C 1.883 178.471 176.600 -0.019 0.000 1.004 611 E CA 1.761 58.159 56.400 -0.004 0.000 0.805 611 E CB -0.323 29.428 29.700 0.085 0.000 0.744 611 E HN 0.474 nan 8.360 nan 0.000 0.451 612 D N -0.165 120.260 120.400 0.042 0.000 2.144 612 D HA -0.140 4.502 4.640 0.005 0.000 0.199 612 D C 1.612 177.931 176.300 0.031 0.000 0.984 612 D CA 0.605 54.662 54.000 0.094 0.000 0.834 612 D CB -0.389 40.470 40.800 0.098 0.000 0.955 612 D HN 0.117 nan 8.370 nan 0.000 0.465 613 F N 1.181 121.023 119.950 -0.179 0.000 2.102 613 F HA -0.219 4.311 4.527 0.005 0.000 0.298 613 F C 2.160 177.723 175.800 -0.395 0.000 1.105 613 F CA 1.028 58.863 58.000 -0.276 0.000 1.239 613 F CB -0.193 38.619 39.000 -0.313 0.000 0.991 613 F HN -0.210 nan 8.300 nan 0.000 0.474 614 V N 0.124 119.816 119.914 -0.370 0.000 2.287 614 V HA -0.354 3.769 4.120 0.005 0.000 0.248 614 V C 2.142 178.080 176.094 -0.260 0.000 1.053 614 V CA 2.324 64.385 62.300 -0.398 0.000 1.027 614 V CB -1.306 30.259 31.823 -0.430 0.000 0.646 614 V HN 0.619 nan 8.190 nan 0.000 0.447 615 Y N 1.023 121.186 120.300 -0.228 0.000 2.128 615 Y HA -0.236 4.317 4.550 0.005 0.000 0.284 615 Y C 2.312 178.050 175.900 -0.271 0.000 1.154 615 Y CA 2.016 60.024 58.100 -0.153 0.000 1.149 615 Y CB -0.707 37.748 38.460 -0.007 0.000 0.976 615 Y HN 0.051 nan 8.280 nan 0.000 0.505 616 V N 0.632 120.034 119.914 -0.854 0.000 2.515 616 V HA -0.189 3.934 4.120 0.005 0.000 0.250 616 V C 2.644 178.187 176.094 -0.918 0.000 1.058 616 V CA 1.756 63.424 62.300 -1.053 0.000 1.064 616 V CB -1.502 29.852 31.823 -0.781 0.000 0.675 616 V HN 0.654 nan 8.190 nan 0.000 0.461 617 G N -0.144 108.188 108.800 -0.780 0.000 2.432 617 G HA2 -0.182 3.781 3.960 0.005 0.000 0.219 617 G HA3 -0.182 3.781 3.960 0.005 0.000 0.219 617 G C 1.570 176.197 174.900 -0.455 0.000 1.135 617 G CA 0.777 45.524 45.100 -0.589 0.000 0.767 617 G HN 0.471 nan 8.290 nan 0.000 0.550 618 L N 0.117 121.038 121.223 -0.503 0.000 2.027 618 L HA -0.061 4.282 4.340 0.005 0.000 0.206 618 L C 2.990 179.445 176.870 -0.691 0.000 1.074 618 L CA 0.454 54.953 54.840 -0.569 0.000 0.745 618 L CB -0.592 41.086 42.059 -0.636 0.000 0.898 618 L HN 0.066 nan 8.230 nan 0.000 0.433 619 V N 0.078 119.556 119.914 -0.725 0.000 2.287 619 V HA -0.321 3.801 4.120 0.005 0.000 0.248 619 V C 2.444 178.192 176.094 -0.576 0.000 1.053 619 V CA 1.917 63.833 62.300 -0.641 0.000 1.027 619 V CB -0.520 30.900 31.823 -0.673 0.000 0.646 619 V HN 0.341 nan 8.190 nan 0.000 0.447 620 L N 0.117 120.931 121.223 -0.683 0.000 1.978 620 L HA -0.290 4.053 4.340 0.005 0.000 0.218 620 L C 2.563 179.146 176.870 -0.479 0.000 1.075 620 L CA 2.687 57.232 54.840 -0.492 0.000 0.767 620 L CB -0.910 40.901 42.059 -0.413 0.000 0.890 620 L HN 0.434 nan 8.230 nan 0.000 0.434 621 Q N -0.875 118.710 119.800 -0.359 0.000 2.061 621 Q HA -0.195 4.148 4.340 0.005 0.000 0.204 621 Q C 2.047 177.779 176.000 -0.446 0.000 0.984 621 Q CA 1.927 57.566 55.803 -0.273 0.000 0.846 621 Q CB -0.573 28.106 28.738 -0.099 0.000 0.902 621 Q HN 0.703 nan 8.270 nan 0.000 0.421 622 G N 0.475 108.995 108.800 -0.467 0.000 2.446 622 G HA2 -0.275 3.688 3.960 0.005 0.000 0.217 622 G HA3 -0.275 3.688 3.960 0.005 0.000 0.217 622 G C 1.393 176.036 174.900 -0.430 0.000 1.168 622 G CA 0.694 45.523 45.100 -0.452 0.000 0.771 622 G HN 0.313 nan 8.290 nan 0.000 0.551 623 Q N 0.216 119.754 119.800 -0.437 0.000 2.096 623 Q HA 0.003 4.346 4.340 0.005 0.000 0.197 623 Q C 2.871 178.555 176.000 -0.528 0.000 0.964 623 Q CA 1.282 56.861 55.803 -0.374 0.000 0.838 623 Q CB -0.733 27.844 28.738 -0.268 0.000 0.906 623 Q HN 0.435 nan 8.270 nan 0.000 0.444 624 G N 0.921 109.138 108.800 -0.971 0.000 2.433 624 G HA2 -0.222 3.741 3.960 0.005 0.000 0.216 624 G HA3 -0.222 3.741 3.960 0.005 0.000 0.216 624 G C 1.481 175.841 174.900 -0.900 0.000 1.186 624 G CA 0.662 44.662 45.100 -1.833 0.000 0.779 624 G HN 0.147 nan 8.290 nan 0.000 0.543 625 M N 1.306 120.511 119.600 -0.657 0.000 2.080 625 M HA -0.081 4.402 4.480 0.005 0.000 0.260 625 M C 2.657 178.829 176.300 -0.213 0.000 1.068 625 M CA 1.785 56.900 55.300 -0.308 0.000 1.109 625 M CB -0.928 31.401 32.600 -0.452 0.000 1.342 625 M HN 0.419 nan 8.290 nan 0.000 0.405 626 R N -0.996 119.323 120.500 -0.303 0.000 2.152 626 R HA -0.171 4.172 4.340 0.005 0.000 0.232 626 R C 1.923 178.133 176.300 -0.151 0.000 1.117 626 R CA 1.918 57.871 56.100 -0.246 0.000 0.981 626 R CB -1.490 28.656 30.300 -0.257 0.000 0.870 626 R HN 0.382 nan 8.270 nan 0.000 0.451 627 H N 0.050 118.991 119.070 -0.215 0.000 2.387 627 H HA 0.018 4.577 4.556 0.005 0.000 0.299 627 H C 2.018 177.245 175.328 -0.169 0.000 1.099 627 H CA 2.253 58.206 56.048 -0.159 0.000 1.315 627 H CB -0.499 29.181 29.762 -0.136 0.000 1.380 627 H HN 0.414 nan 8.280 nan 0.000 0.513 628 G N -0.010 108.739 108.800 -0.085 0.000 2.394 628 G HA2 -0.173 3.790 3.960 0.005 0.000 0.214 628 G HA3 -0.173 3.790 3.960 0.005 0.000 0.214 628 G C 1.734 176.237 174.900 -0.662 0.000 1.176 628 G CA 0.736 45.611 45.100 -0.374 0.000 0.786 628 G HN 0.386 nan 8.290 nan 0.000 0.533 629 L N 0.222 121.353 121.223 -0.153 0.000 2.013 629 L HA -0.139 4.204 4.340 0.005 0.000 0.212 629 L C 2.892 179.695 176.870 -0.111 0.000 1.073 629 L CA 1.588 56.423 54.840 -0.009 0.000 0.753 629 L CB -0.528 41.489 42.059 -0.069 0.000 0.890 629 L HN 0.292 nan 8.230 nan 0.000 0.432 630 E N 0.064 120.137 120.200 -0.212 0.000 2.058 630 E HA -0.244 4.109 4.350 0.005 0.000 0.194 630 E C 2.307 178.729 176.600 -0.296 0.000 0.997 630 E CA 1.255 57.518 56.400 -0.228 0.000 0.801 630 E CB -0.215 29.340 29.700 -0.241 0.000 0.746 630 E HN 0.518 nan 8.360 nan 0.000 0.450 631 A N 0.778 123.342 122.820 -0.427 0.000 1.933 631 A HA -0.225 4.098 4.320 0.005 0.000 0.218 631 A C 1.682 179.129 177.584 -0.228 0.000 1.175 631 A CA 1.704 53.504 52.037 -0.395 0.000 0.628 631 A CB -0.836 17.889 19.000 -0.458 0.000 0.814 631 A HN 0.334 nan 8.150 nan 0.000 0.444 632 H N -0.913 118.093 119.070 -0.107 0.000 2.299 632 H HA -0.035 4.523 4.556 0.005 0.000 0.302 632 H C 2.464 177.839 175.328 0.078 0.000 1.078 632 H CA 1.287 57.353 56.048 0.031 0.000 1.323 632 H CB -0.054 29.741 29.762 0.054 0.000 1.381 632 H HN 0.380 nan 8.280 nan 0.000 0.498 633 R N 0.634 121.124 120.500 -0.017 0.000 2.096 633 R HA -0.106 4.237 4.340 0.005 0.000 0.235 633 R C 2.417 178.532 176.300 -0.308 0.000 1.127 633 R CA 1.022 56.821 56.100 -0.503 0.000 0.968 633 R CB -0.194 29.843 30.300 -0.439 0.000 0.861 633 R HN 0.271 nan 8.270 nan 0.000 0.440 634 R N 0.852 121.215 120.500 -0.230 0.000 2.120 634 R HA -0.053 4.290 4.340 0.005 0.000 0.234 634 R C 0.873 177.049 176.300 -0.207 0.000 1.123 634 R CA 1.181 57.109 56.100 -0.286 0.000 0.975 634 R CB 0.047 30.075 30.300 -0.453 0.000 0.866 634 R HN 0.198 nan 8.270 nan 0.000 0.446 635 N N 0.949 119.595 118.700 -0.090 0.000 2.295 635 N HA -0.031 4.711 4.740 0.005 0.000 0.221 635 N C -0.454 175.147 175.510 0.152 0.000 1.129 635 N CA -0.086 52.978 53.050 0.024 0.000 0.836 635 N CB 0.381 38.900 38.487 0.053 0.000 1.040 635 N HN 0.191 nan 8.380 nan 0.000 0.494 636 R N 2.284 122.853 120.500 0.115 0.000 2.590 636 R HA 0.092 4.434 4.340 0.005 0.000 0.274 636 R C -1.529 174.852 176.300 0.136 0.000 1.061 636 R CA -0.729 55.476 56.100 0.176 0.000 1.081 636 R CB 0.724 31.085 30.300 0.102 0.000 0.984 636 R HN -0.018 nan 8.270 nan 0.000 0.448 637 P HA -0.036 nan 4.420 nan 0.000 0.261 637 P C 0.492 177.885 177.300 0.155 0.000 1.268 637 P CA 0.268 63.446 63.100 0.131 0.000 0.833 637 P CB -0.032 31.697 31.700 0.049 0.000 1.231 638 Y N 0.931 121.292 120.300 0.101 0.000 2.114 638 Y HA -0.166 4.386 4.550 0.004 0.000 0.282 638 Y C 1.127 177.110 175.900 0.139 0.000 1.165 638 Y CA 1.244 59.412 58.100 0.113 0.000 1.148 638 Y CB -0.480 38.041 38.460 0.101 0.000 0.972 638 Y HN 0.026 nan 8.280 nan 0.000 0.504 639 C N 2.009 121.497 119.300 0.313 0.000 2.329 639 C HA 0.421 4.883 4.460 0.005 0.000 0.329 639 C C 0.532 175.688 174.990 0.275 0.000 1.275 639 C CA -0.809 58.351 59.018 0.236 0.000 1.726 639 C CB 0.053 27.964 27.740 0.285 0.000 2.291 639 C HN 0.576 nan 8.230 nan 0.000 0.514 640 M N 4.687 124.305 119.600 0.029 0.000 2.416 640 M HA 0.329 4.812 4.480 0.005 0.000 0.337 640 M C 0.477 176.209 176.300 -0.948 0.000 1.074 640 M CA 0.172 55.387 55.300 -0.142 0.000 0.968 640 M CB 0.052 32.760 32.600 0.180 0.000 1.472 640 M HN 0.990 nan 8.290 nan 0.000 0.539 641 G N -0.366 107.584 108.800 -1.417 0.000 2.411 641 G HA2 0.397 4.360 3.960 0.005 0.000 0.295 641 G HA3 0.397 4.360 3.960 0.005 0.000 0.295 641 G C -1.685 172.432 174.900 -1.305 0.000 1.542 641 G CA -0.370 43.626 45.100 -1.840 0.000 0.814 641 G HN -0.085 nan 8.290 nan 0.000 0.557 642 T N 0.215 114.331 114.554 -0.731 0.000 2.991 642 T HA 0.620 4.972 4.350 0.005 0.000 0.303 642 T C -1.201 173.462 174.700 -0.062 0.000 1.015 642 T CA -0.481 61.451 62.100 -0.280 0.000 1.007 642 T CB 0.756 69.750 68.868 0.211 0.000 1.034 642 T HN 0.570 nan 8.240 nan 0.000 0.446 643 L N 6.560 127.768 121.223 -0.026 0.000 2.377 643 L HA 0.489 4.831 4.340 0.005 0.000 0.270 643 L C -0.408 176.468 176.870 0.010 0.000 0.991 643 L CA -1.315 53.498 54.840 -0.045 0.000 0.851 643 L CB 0.933 42.911 42.059 -0.135 0.000 1.218 643 L HN 0.739 nan 8.230 nan 0.000 0.420 644 Y N 1.536 121.845 120.300 0.016 0.000 2.397 644 Y HA 0.601 5.154 4.550 0.005 0.000 0.335 644 Y C 0.361 176.107 175.900 -0.257 0.000 1.213 644 Y CA -0.898 57.063 58.100 -0.231 0.000 1.391 644 Y CB 0.604 38.787 38.460 -0.461 0.000 1.293 644 Y HN 0.549 nan 8.280 nan 0.000 0.557 645 A N 5.312 128.035 122.820 -0.162 0.000 2.310 645 A HA 0.487 4.810 4.320 0.005 0.000 0.300 645 A C -0.425 177.175 177.584 0.027 0.000 1.269 645 A CA -0.497 51.459 52.037 -0.136 0.000 0.909 645 A CB -0.354 18.631 19.000 -0.024 0.000 1.144 645 A HN 0.875 nan 8.150 nan 0.000 0.540 646 Q N 1.849 121.680 119.800 0.051 0.000 2.534 646 Q HA 0.448 4.791 4.340 0.005 0.000 0.290 646 Q C -0.483 175.417 176.000 -0.166 0.000 0.991 646 Q CA -0.933 54.750 55.803 -0.201 0.000 0.783 646 Q CB 0.764 29.297 28.738 -0.343 0.000 1.470 646 Q HN 0.405 nan 8.270 nan 0.000 0.406 647 L N 1.158 122.191 121.223 -0.317 0.000 2.027 647 L HA 0.062 4.405 4.340 0.005 0.000 0.206 647 L C 0.064 176.801 176.870 -0.222 0.000 1.074 647 L CA 2.106 56.809 54.840 -0.228 0.000 0.745 647 L CB -0.315 41.605 42.059 -0.232 0.000 0.898 647 L HN 0.888 nan 8.230 nan 0.000 0.433 648 N N -2.139 116.357 118.700 -0.340 0.000 2.774 648 N HA 0.259 5.002 4.740 0.005 0.000 0.264 648 N C -1.656 173.589 175.510 -0.443 0.000 1.415 648 N CA -0.655 52.180 53.050 -0.359 0.000 0.815 648 N CB 1.286 39.561 38.487 -0.354 0.000 1.514 648 N HN -0.132 nan 8.380 nan 0.000 0.523 649 D N -0.790 119.405 120.400 -0.341 0.000 2.433 649 D HA 0.306 4.949 4.640 0.005 0.000 0.236 649 D C 0.415 176.615 176.300 -0.167 0.000 1.026 649 D CA -0.365 53.450 54.000 -0.308 0.000 0.884 649 D CB 2.173 42.851 40.800 -0.203 0.000 1.384 649 D HN 0.607 nan 8.370 nan 0.000 0.477 650 S N 0.217 115.848 115.700 -0.114 0.000 2.524 650 S HA 0.129 4.601 4.470 0.005 0.000 0.216 650 S C 0.443 175.011 174.600 -0.054 0.000 0.987 650 S CA -0.197 58.032 58.200 0.048 0.000 0.909 650 S CB 0.242 63.522 63.200 0.133 0.000 0.781 650 S HN 0.608 nan 8.310 nan 0.000 0.521 651 W N -0.529 120.351 121.300 -0.700 0.000 2.989 651 W HA 0.549 5.212 4.660 0.005 0.000 0.344 651 W C -3.879 172.073 176.519 -0.946 0.000 1.233 651 W CA -2.668 53.735 57.345 -1.570 0.000 1.187 651 W CB -0.237 28.268 29.460 -1.592 0.000 1.443 651 W HN -0.254 nan 8.180 nan 0.000 0.573 652 P HA 0.336 nan 4.420 nan 0.000 0.276 652 P C -0.505 175.943 177.300 -1.420 0.000 1.253 652 P CA 0.470 63.097 63.100 -0.787 0.000 0.766 652 P CB 1.296 32.815 31.700 -0.301 0.000 0.845 653 V N 4.239 123.494 119.914 -1.098 0.000 3.264 653 V HA 0.228 4.351 4.120 0.005 0.000 0.294 653 V C -1.204 174.510 176.094 -0.633 0.000 1.429 653 V CA -0.908 60.732 62.300 -1.100 0.000 1.053 653 V CB 2.612 33.702 31.823 -1.222 0.000 1.128 653 V HN 0.025 nan 8.190 nan 0.000 0.452 654 V N 4.836 124.389 119.914 -0.603 0.000 2.389 654 V HA 0.676 4.799 4.120 0.005 0.000 0.264 654 V C 0.407 176.140 176.094 -0.600 0.000 1.049 654 V CA 0.828 62.754 62.300 -0.625 0.000 0.932 654 V CB 0.325 31.633 31.823 -0.858 0.000 1.011 654 V HN 1.094 nan 8.190 nan 0.000 0.475 655 S N 3.868 119.222 115.700 -0.576 0.000 2.776 655 S HA 0.485 4.958 4.470 0.005 0.000 0.292 655 S C -0.023 174.176 174.600 -0.668 0.000 1.187 655 S CA -0.865 56.953 58.200 -0.636 0.000 0.834 655 S CB 1.317 64.377 63.200 -0.234 0.000 1.199 655 S HN 0.512 nan 8.310 nan 0.000 0.514 656 W N 2.455 123.540 121.300 -0.360 0.000 3.077 656 W HA 0.162 4.825 4.660 0.005 0.000 0.245 656 W C 1.130 177.489 176.519 -0.266 0.000 1.316 656 W CA 0.222 57.359 57.345 -0.346 0.000 1.537 656 W CB -0.805 28.497 29.460 -0.263 0.000 1.131 656 W HN 0.778 nan 8.180 nan 0.000 0.695 657 S N 0.607 116.246 115.700 -0.102 0.000 2.573 657 S HA 0.053 4.526 4.470 0.005 0.000 0.277 657 S C 1.236 175.760 174.600 -0.127 0.000 1.346 657 S CA 0.267 58.386 58.200 -0.134 0.000 1.034 657 S CB 1.656 64.730 63.200 -0.210 0.000 0.879 657 S HN 0.125 nan 8.310 nan 0.000 0.528 658 S N 1.306 116.963 115.700 -0.071 0.000 2.502 658 S HA 0.336 4.808 4.470 0.005 0.000 0.215 658 S C 0.242 174.745 174.600 -0.162 0.000 1.009 658 S CA -0.457 57.682 58.200 -0.102 0.000 0.908 658 S CB -0.547 62.667 63.200 0.025 0.000 0.801 658 S HN 0.709 nan 8.310 nan 0.000 0.505 659 I N 3.305 123.754 120.570 -0.201 0.000 2.478 659 I HA 0.339 4.512 4.170 0.005 0.000 0.287 659 I C -0.907 175.124 176.117 -0.145 0.000 1.042 659 I CA -1.003 60.166 61.300 -0.219 0.000 1.067 659 I CB 1.973 39.753 38.000 -0.367 0.000 1.233 659 I HN 0.159 nan 8.210 nan 0.000 0.431 660 D N 4.557 124.921 120.400 -0.060 0.000 2.393 660 D HA -0.106 4.536 4.640 0.005 0.000 0.246 660 D C 1.051 177.329 176.300 -0.037 0.000 1.275 660 D CA -0.022 53.957 54.000 -0.035 0.000 0.979 660 D CB 0.532 41.367 40.800 0.058 0.000 1.101 660 D HN 0.537 nan 8.370 nan 0.000 0.505 661 Y N -0.112 120.066 120.300 -0.204 0.000 2.193 661 Y HA -0.251 4.301 4.550 0.005 0.000 0.285 661 Y C 1.276 176.982 175.900 -0.323 0.000 1.166 661 Y CA 1.559 59.459 58.100 -0.333 0.000 1.181 661 Y CB -0.431 37.723 38.460 -0.510 0.000 0.976 661 Y HN 0.429 nan 8.280 nan 0.000 0.520 662 Y N -0.063 120.205 120.300 -0.054 0.000 2.502 662 Y HA 0.248 4.801 4.550 0.005 0.000 0.295 662 Y C 1.919 177.786 175.900 -0.055 0.000 1.193 662 Y CA 0.461 58.508 58.100 -0.089 0.000 1.295 662 Y CB -0.165 38.330 38.460 0.058 0.000 1.059 662 Y HN 0.252 nan 8.280 nan 0.000 0.514 663 G N -0.117 108.704 108.800 0.035 0.000 2.157 663 G HA2 -0.280 3.683 3.960 0.005 0.000 0.248 663 G HA3 -0.280 3.683 3.960 0.005 0.000 0.248 663 G C -0.151 174.853 174.900 0.174 0.000 0.979 663 G CA -0.289 44.845 45.100 0.055 0.000 0.650 663 G HN 0.304 nan 8.290 nan 0.000 0.529 664 N N 0.386 119.207 118.700 0.203 0.000 2.442 664 N HA 0.252 4.994 4.740 0.005 0.000 0.265 664 N C -0.033 175.655 175.510 0.298 0.000 1.138 664 N CA -0.005 53.211 53.050 0.277 0.000 0.956 664 N CB 0.402 39.053 38.487 0.274 0.000 1.067 664 N HN 0.235 nan 8.380 nan 0.000 0.474 665 W N 2.638 123.946 121.300 0.013 0.000 2.381 665 W HA 0.137 4.800 4.660 0.005 0.000 0.321 665 W C 1.154 177.708 176.519 0.059 0.000 1.407 665 W CA -0.227 57.053 57.345 -0.108 0.000 1.274 665 W CB 0.027 29.253 29.460 -0.390 0.000 1.310 665 W HN 0.205 nan 8.180 nan 0.000 0.551 666 K N 2.240 122.705 120.400 0.110 0.000 2.132 666 K HA 0.299 4.622 4.320 0.005 0.000 0.240 666 K C 1.339 177.877 176.600 -0.103 0.000 1.036 666 K CA 0.091 56.339 56.287 -0.064 0.000 0.888 666 K CB 0.505 32.880 32.500 -0.209 0.000 1.071 666 K HN 0.479 nan 8.250 nan 0.000 0.502 667 A N 1.309 123.636 122.820 -0.822 0.000 1.915 667 A HA -0.228 4.095 4.320 0.005 0.000 0.220 667 A C 2.003 179.402 177.584 -0.308 0.000 1.198 667 A CA 1.932 53.449 52.037 -0.866 0.000 0.647 667 A CB -0.662 17.505 19.000 -1.389 0.000 0.825 667 A HN 0.652 nan 8.150 nan 0.000 0.456 668 L N -1.016 119.972 121.223 -0.392 0.000 2.081 668 L HA -0.209 4.134 4.340 0.005 0.000 0.212 668 L C 2.218 178.855 176.870 -0.387 0.000 1.080 668 L CA 2.840 57.435 54.840 -0.407 0.000 0.754 668 L CB -0.937 40.849 42.059 -0.455 0.000 0.893 668 L HN 0.607 nan 8.230 nan 0.000 0.433 669 H N -2.054 116.783 119.070 -0.388 0.000 2.326 669 H HA -0.160 4.399 4.556 0.005 0.000 0.301 669 H C 1.918 176.993 175.328 -0.422 0.000 1.081 669 H CA 2.376 58.070 56.048 -0.590 0.000 1.334 669 H CB -0.199 28.918 29.762 -1.076 0.000 1.385 669 H HN 0.458 nan 8.280 nan 0.000 0.504 670 Y N 0.031 120.374 120.300 0.073 0.000 2.224 670 Y HA -0.208 4.344 4.550 0.005 0.000 0.289 670 Y C 2.540 178.421 175.900 -0.032 0.000 1.146 670 Y CA 1.003 59.228 58.100 0.209 0.000 1.182 670 Y CB -0.099 38.561 38.460 0.334 0.000 0.983 670 Y HN 0.270 nan 8.280 nan 0.000 0.524 671 Q N -0.168 119.617 119.800 -0.025 0.000 2.123 671 Q HA -0.073 4.270 4.340 0.005 0.000 0.199 671 Q C 2.601 178.405 176.000 -0.326 0.000 0.966 671 Q CA 1.184 56.890 55.803 -0.160 0.000 0.845 671 Q CB -0.628 27.965 28.738 -0.242 0.000 0.907 671 Q HN 0.529 nan 8.270 nan 0.000 0.439 672 A N 1.671 124.190 122.820 -0.502 0.000 1.877 672 A HA -0.227 4.096 4.320 0.005 0.000 0.216 672 A C 2.159 179.396 177.584 -0.580 0.000 1.186 672 A CA 1.830 53.414 52.037 -0.754 0.000 0.620 672 A CB -0.506 18.034 19.000 -0.767 0.000 0.822 672 A HN 0.319 nan 8.150 nan 0.000 0.443 673 K N -0.298 119.901 120.400 -0.337 0.000 2.034 673 K HA -0.262 4.061 4.320 0.005 0.000 0.214 673 K C 2.276 178.868 176.600 -0.013 0.000 1.051 673 K CA 2.067 58.308 56.287 -0.076 0.000 0.931 673 K CB -0.227 32.324 32.500 0.084 0.000 0.715 673 K HN 0.485 nan 8.250 nan 0.000 0.446 674 R N -0.286 120.194 120.500 -0.034 0.000 2.073 674 R HA -0.089 4.254 4.340 0.005 0.000 0.234 674 R C 2.437 178.707 176.300 -0.050 0.000 1.134 674 R CA 1.330 57.423 56.100 -0.011 0.000 0.952 674 R CB -0.422 29.878 30.300 0.000 0.000 0.850 674 R HN 0.294 nan 8.270 nan 0.000 0.433 675 A N 0.344 123.063 122.820 -0.168 0.000 2.070 675 A HA -0.102 4.221 4.320 0.005 0.000 0.220 675 A C 1.322 178.901 177.584 -0.009 0.000 1.159 675 A CA 1.103 53.032 52.037 -0.180 0.000 0.656 675 A CB -0.225 18.556 19.000 -0.365 0.000 0.800 675 A HN 0.204 nan 8.150 nan 0.000 0.453 676 F N -0.419 119.514 119.950 -0.029 0.000 2.695 676 F HA 0.461 4.991 4.527 0.005 0.000 0.303 676 F C 1.482 177.276 175.800 -0.009 0.000 1.091 676 F CA -0.926 57.065 58.000 -0.016 0.000 1.300 676 F CB -0.944 38.047 39.000 -0.014 0.000 1.071 676 F HN 0.167 nan 8.300 nan 0.000 0.578 677 A N 1.658 124.577 122.820 0.164 0.000 2.587 677 A HA 0.030 4.353 4.320 0.005 0.000 0.235 677 A C -1.189 176.450 177.584 0.092 0.000 1.044 677 A CA -0.607 51.495 52.037 0.108 0.000 0.754 677 A CB -0.334 18.711 19.000 0.075 0.000 0.968 677 A HN 0.111 nan 8.150 nan 0.000 0.509 678 P HA -0.083 nan 4.420 nan 0.000 0.216 678 P C -0.021 177.320 177.300 0.068 0.000 1.150 678 P CA 1.138 64.286 63.100 0.080 0.000 0.843 678 P CB 0.085 31.838 31.700 0.088 0.000 0.787 679 V N 0.185 120.134 119.914 0.058 0.000 2.487 679 V HA 0.417 4.540 4.120 0.005 0.000 0.298 679 V C -0.526 175.592 176.094 0.039 0.000 1.028 679 V CA -0.718 61.609 62.300 0.045 0.000 0.860 679 V CB 1.902 33.751 31.823 0.043 0.000 0.991 679 V HN -0.188 nan 8.190 nan 0.000 0.427 680 L N 6.690 127.931 121.223 0.030 0.000 2.410 680 L HA 0.676 5.019 4.340 0.005 0.000 0.270 680 L C -0.716 176.171 176.870 0.028 0.000 0.983 680 L CA -0.075 54.780 54.840 0.025 0.000 0.822 680 L CB 1.808 43.875 42.059 0.014 0.000 1.285 680 L HN 0.574 nan 8.230 nan 0.000 0.409 681 I N 4.604 125.191 120.570 0.029 0.000 2.337 681 I HA 0.261 4.434 4.170 0.005 0.000 0.291 681 I C 0.152 176.293 176.117 0.039 0.000 1.046 681 I CA 0.065 61.386 61.300 0.035 0.000 1.324 681 I CB 0.504 38.519 38.000 0.025 0.000 1.409 681 I HN 0.663 nan 8.210 nan 0.000 0.494 682 N N 9.025 127.760 118.700 0.059 0.000 2.626 682 N HA 0.330 5.073 4.740 0.005 0.000 0.242 682 N C -2.673 172.889 175.510 0.086 0.000 1.005 682 N CA -1.609 51.470 53.050 0.049 0.000 0.905 682 N CB 1.492 39.981 38.487 0.003 0.000 1.128 682 N HN 0.248 nan 8.380 nan 0.000 0.512 683 P HA 0.194 nan 4.420 nan 0.000 0.282 683 P C -0.825 176.466 177.300 -0.016 0.000 1.262 683 P CA -0.350 62.736 63.100 -0.023 0.000 0.773 683 P CB 1.181 32.782 31.700 -0.164 0.000 0.879 684 I N 2.364 122.950 120.570 0.027 0.000 2.447 684 I HA 0.332 4.505 4.170 0.005 0.000 0.287 684 I C -0.857 175.322 176.117 0.103 0.000 1.023 684 I CA -0.787 60.562 61.300 0.081 0.000 1.083 684 I CB 1.923 39.945 38.000 0.036 0.000 1.245 684 I HN 0.252 nan 8.210 nan 0.000 0.434 685 Q N 6.744 126.645 119.800 0.169 0.000 2.333 685 Q HA 0.614 4.957 4.340 0.005 0.000 0.265 685 Q C -1.619 174.482 176.000 0.169 0.000 0.989 685 Q CA -0.537 55.377 55.803 0.185 0.000 0.842 685 Q CB 1.246 30.164 28.738 0.299 0.000 1.262 685 Q HN 0.737 nan 8.270 nan 0.000 0.451 686 Q N 2.465 122.346 119.800 0.135 0.000 2.377 686 Q HA 0.341 4.683 4.340 0.005 0.000 0.279 686 Q C -0.887 175.167 176.000 0.090 0.000 1.049 686 Q CA -0.983 54.885 55.803 0.108 0.000 0.825 686 Q CB 1.733 30.528 28.738 0.095 0.000 1.401 686 Q HN 0.772 nan 8.270 nan 0.000 0.404 687 N N 2.008 120.752 118.700 0.073 0.000 2.725 687 N HA -0.225 4.518 4.740 0.005 0.000 0.251 687 N C -0.816 174.732 175.510 0.063 0.000 1.031 687 N CA 1.609 54.694 53.050 0.059 0.000 0.720 687 N CB -0.829 37.689 38.487 0.051 0.000 0.930 687 N HN 0.998 nan 8.380 nan 0.000 0.543 688 D N -1.435 119.010 120.400 0.074 0.000 2.837 688 D HA -0.177 4.466 4.640 0.005 0.000 0.230 688 D C -0.857 175.501 176.300 0.096 0.000 1.152 688 D CA 1.683 55.728 54.000 0.076 0.000 0.736 688 D CB -0.726 40.103 40.800 0.048 0.000 1.084 688 D HN 0.563 nan 8.370 nan 0.000 0.429 689 S N -0.871 114.900 115.700 0.119 0.000 2.536 689 S HA 0.649 5.122 4.470 0.005 0.000 0.271 689 S C -1.642 173.056 174.600 0.163 0.000 1.134 689 S CA -0.977 57.304 58.200 0.135 0.000 0.897 689 S CB 1.302 64.555 63.200 0.088 0.000 1.094 689 S HN 0.296 nan 8.310 nan 0.000 0.473 690 L N 3.783 125.130 121.223 0.207 0.000 2.287 690 L HA 0.714 5.057 4.340 0.005 0.000 0.287 690 L C -0.362 176.592 176.870 0.141 0.000 1.022 690 L CA 0.307 55.269 54.840 0.203 0.000 0.814 690 L CB 1.504 43.773 42.059 0.351 0.000 1.217 690 L HN 0.616 nan 8.230 nan 0.000 0.420 691 S N 3.333 119.108 115.700 0.125 0.000 2.565 691 S HA 0.747 5.220 4.470 0.005 0.000 0.290 691 S C -0.826 173.870 174.600 0.160 0.000 1.150 691 S CA -0.582 57.688 58.200 0.116 0.000 1.058 691 S CB 1.771 65.078 63.200 0.178 0.000 1.032 691 S HN 0.424 nan 8.310 nan 0.000 0.510 692 V N 3.583 123.573 119.914 0.125 0.000 2.409 692 V HA 0.425 4.548 4.120 0.005 0.000 0.291 692 V C -1.279 174.835 176.094 0.032 0.000 1.020 692 V CA -0.649 61.727 62.300 0.127 0.000 0.848 692 V CB 0.641 32.531 31.823 0.113 0.000 0.990 692 V HN 0.829 nan 8.190 nan 0.000 0.430 693 Y N 4.148 124.456 120.300 0.013 0.000 2.420 693 Y HA 0.638 5.190 4.550 0.004 0.000 0.334 693 Y C 0.125 176.022 175.900 -0.004 0.000 1.094 693 Y CA -0.842 57.259 58.100 0.002 0.000 1.126 693 Y CB 1.840 40.290 38.460 -0.016 0.000 1.217 693 Y HN 0.410 nan 8.280 nan 0.000 0.462 694 L N 5.186 126.483 121.223 0.123 0.000 2.287 694 L HA 0.535 4.878 4.340 0.005 0.000 0.287 694 L C -0.930 175.989 176.870 0.081 0.000 1.022 694 L CA -0.470 54.415 54.840 0.075 0.000 0.814 694 L CB 1.035 43.115 42.059 0.036 0.000 1.217 694 L HN 0.515 nan 8.230 nan 0.000 0.420 695 I N 2.363 122.965 120.570 0.053 0.000 2.436 695 I HA 0.344 4.517 4.170 0.005 0.000 0.289 695 I C -0.147 175.978 176.117 0.014 0.000 1.010 695 I CA -0.173 61.138 61.300 0.018 0.000 1.098 695 I CB 2.114 40.097 38.000 -0.029 0.000 1.266 695 I HN 0.479 nan 8.210 nan 0.000 0.434 696 S N 3.740 119.451 115.700 0.019 0.000 2.557 696 S HA 0.381 4.853 4.470 0.005 0.000 0.291 696 S C -0.349 174.291 174.600 0.066 0.000 1.116 696 S CA -0.624 57.602 58.200 0.042 0.000 0.992 696 S CB 1.179 64.408 63.200 0.048 0.000 1.028 696 S HN 0.581 nan 8.310 nan 0.000 0.484 697 D N 2.981 123.444 120.400 0.106 0.000 2.402 697 D HA 0.175 4.818 4.640 0.005 0.000 0.216 697 D C 0.329 176.832 176.300 0.338 0.000 1.128 697 D CA -0.007 54.125 54.000 0.220 0.000 0.833 697 D CB 0.414 41.318 40.800 0.173 0.000 0.971 697 D HN 0.468 nan 8.370 nan 0.000 0.503 698 R N 0.290 120.902 120.500 0.187 0.000 2.641 698 R HA 0.262 4.604 4.340 0.005 0.000 0.269 698 R C 1.456 177.769 176.300 0.021 0.000 1.074 698 R CA -0.230 55.947 56.100 0.128 0.000 1.133 698 R CB 1.308 31.647 30.300 0.065 0.000 1.029 698 R HN 0.001 nan 8.270 nan 0.000 0.488 699 L N 0.815 121.962 121.223 -0.126 0.000 2.446 699 L HA -0.001 4.342 4.340 0.005 0.000 0.219 699 L C 0.534 177.312 176.870 -0.154 0.000 1.116 699 L CA 0.420 55.085 54.840 -0.291 0.000 0.844 699 L CB -0.243 41.535 42.059 -0.470 0.000 0.970 699 L HN 0.709 nan 8.230 nan 0.000 0.457 700 D N -1.033 119.319 120.400 -0.081 0.000 2.198 700 D HA 0.133 4.776 4.640 0.005 0.000 0.247 700 D C -0.309 175.977 176.300 -0.023 0.000 1.010 700 D CA -0.395 53.575 54.000 -0.050 0.000 0.880 700 D CB 1.409 42.187 40.800 -0.036 0.000 1.209 700 D HN -0.273 nan 8.370 nan 0.000 0.451 701 T N 1.604 116.148 114.554 -0.018 0.000 2.919 701 T HA 0.205 4.558 4.350 0.005 0.000 0.302 701 T C 0.514 175.216 174.700 0.002 0.000 1.031 701 T CA -0.201 61.897 62.100 -0.004 0.000 1.127 701 T CB 0.439 69.305 68.868 -0.003 0.000 0.952 701 T HN 0.255 nan 8.240 nan 0.000 0.540 702 M N 3.269 122.874 119.600 0.010 0.000 2.129 702 M HA 0.354 4.837 4.480 0.005 0.000 0.348 702 M C 0.188 176.497 176.300 0.014 0.000 1.116 702 M CA -0.333 54.975 55.300 0.013 0.000 1.022 702 M CB 1.197 33.808 32.600 0.019 0.000 1.599 702 M HN 0.588 nan 8.290 nan 0.000 0.449 703 E N 1.469 121.678 120.200 0.015 0.000 2.235 703 E HA 0.311 4.664 4.350 0.005 0.000 0.265 703 E C -0.752 175.862 176.600 0.023 0.000 0.940 703 E CA -0.641 55.769 56.400 0.016 0.000 0.819 703 E CB 1.443 31.151 29.700 0.012 0.000 1.206 703 E HN 0.528 nan 8.360 nan 0.000 0.409 704 Q N 0.975 120.790 119.800 0.025 0.000 2.451 704 Q HA -0.204 4.138 4.340 0.005 0.000 0.305 704 Q C -0.624 175.403 176.000 0.044 0.000 1.345 704 Q CA 0.383 56.206 55.803 0.034 0.000 0.854 704 Q CB -0.943 27.814 28.738 0.030 0.000 1.162 704 Q HN 0.393 nan 8.270 nan 0.000 0.440 705 M N -0.029 119.594 119.600 0.038 0.000 2.444 705 M HA 0.397 4.880 4.480 0.005 0.000 0.319 705 M C 0.490 176.808 176.300 0.031 0.000 1.183 705 M CA -0.012 55.308 55.300 0.034 0.000 1.032 705 M CB 1.381 33.993 32.600 0.021 0.000 1.569 705 M HN -0.045 nan 8.290 nan 0.000 0.468 706 T N 2.770 117.331 114.554 0.012 0.000 2.815 706 T HA 0.493 4.845 4.350 0.005 0.000 0.289 706 T C -0.673 173.970 174.700 -0.096 0.000 1.000 706 T CA -0.547 61.520 62.100 -0.054 0.000 0.958 706 T CB 1.167 70.027 68.868 -0.013 0.000 0.944 706 T HN 0.473 nan 8.240 nan 0.000 0.442 707 L N 3.635 124.775 121.223 -0.138 0.000 2.305 707 L HA 0.559 4.902 4.340 0.005 0.000 0.281 707 L C 0.127 176.870 176.870 -0.210 0.000 1.085 707 L CA 0.101 54.855 54.840 -0.144 0.000 0.813 707 L CB 0.564 42.541 42.059 -0.137 0.000 1.157 707 L HN 0.683 nan 8.230 nan 0.000 0.436 708 E N 5.824 125.928 120.200 -0.160 0.000 2.256 708 E HA 0.579 4.932 4.350 0.005 0.000 0.268 708 E C -1.704 174.825 176.600 -0.118 0.000 0.877 708 E CA -0.679 55.626 56.400 -0.158 0.000 0.757 708 E CB 1.414 31.047 29.700 -0.112 0.000 1.183 708 E HN 0.736 nan 8.360 nan 0.000 0.418 709 M N 3.474 122.996 119.600 -0.130 0.000 2.501 709 M HA 0.453 4.936 4.480 0.005 0.000 0.293 709 M C -1.205 175.082 176.300 -0.021 0.000 1.192 709 M CA -0.774 54.483 55.300 -0.071 0.000 0.886 709 M CB 2.616 35.147 32.600 -0.115 0.000 1.710 709 M HN 0.444 nan 8.290 nan 0.000 0.457 710 K N 0.345 120.763 120.400 0.030 0.000 2.532 710 K HA 0.777 5.100 4.320 0.005 0.000 0.265 710 K C -1.671 174.955 176.600 0.043 0.000 0.948 710 K CA -1.042 55.272 56.287 0.045 0.000 0.842 710 K CB 1.916 34.417 32.500 0.003 0.000 1.392 710 K HN 0.411 nan 8.250 nan 0.000 0.436 711 V N 1.910 121.858 119.914 0.056 0.000 2.432 711 V HA 0.376 4.499 4.120 0.005 0.000 0.275 711 V C -0.488 175.486 176.094 -0.200 0.000 1.043 711 V CA -0.650 61.630 62.300 -0.033 0.000 0.925 711 V CB 1.216 33.056 31.823 0.028 0.000 0.985 711 V HN 0.559 nan 8.190 nan 0.000 0.466 712 V N 4.161 123.784 119.914 -0.485 0.000 2.656 712 V HA 0.426 4.549 4.120 0.005 0.000 0.307 712 V C -0.407 175.357 176.094 -0.550 0.000 1.051 712 V CA -0.869 61.109 62.300 -0.536 0.000 0.893 712 V CB 2.175 33.564 31.823 -0.724 0.000 0.999 712 V HN 1.043 nan 8.190 nan 0.000 0.426 713 D N 2.571 122.823 120.400 -0.247 0.000 2.411 713 D HA 0.182 4.824 4.640 0.005 0.000 0.251 713 D C 0.692 177.099 176.300 0.180 0.000 1.201 713 D CA -0.517 53.399 54.000 -0.141 0.000 0.996 713 D CB 0.515 41.231 40.800 -0.141 0.000 1.101 713 D HN 0.225 nan 8.370 nan 0.000 0.504 714 F N -0.507 119.513 119.950 0.117 0.000 2.546 714 F HA 0.008 4.538 4.527 0.005 0.000 0.298 714 F C 1.469 177.339 175.800 0.118 0.000 1.120 714 F CA 0.277 58.393 58.000 0.195 0.000 1.456 714 F CB -0.639 38.467 39.000 0.176 0.000 1.088 714 F HN 0.309 nan 8.300 nan 0.000 0.572 715 D N -1.018 119.518 120.400 0.227 0.000 2.350 715 D HA 0.185 4.828 4.640 0.005 0.000 0.213 715 D C 2.194 178.558 176.300 0.106 0.000 1.031 715 D CA 1.059 55.138 54.000 0.132 0.000 0.861 715 D CB 0.505 41.355 40.800 0.082 0.000 0.926 715 D HN 0.348 nan 8.370 nan 0.000 0.520 716 G N 1.435 110.306 108.800 0.119 0.000 2.184 716 G HA2 -0.227 3.735 3.960 0.005 0.000 0.206 716 G HA3 -0.227 3.735 3.960 0.005 0.000 0.206 716 G C 0.379 175.300 174.900 0.034 0.000 0.995 716 G CA -0.163 44.992 45.100 0.091 0.000 0.651 716 G HN 0.309 nan 8.290 nan 0.000 0.511 717 K N 1.635 122.041 120.400 0.009 0.000 2.201 717 K HA 0.523 4.846 4.320 0.005 0.000 0.278 717 K C 0.035 176.603 176.600 -0.053 0.000 1.027 717 K CA -0.174 56.105 56.287 -0.013 0.000 0.909 717 K CB 0.477 32.972 32.500 -0.008 0.000 1.062 717 K HN 0.032 nan 8.250 nan 0.000 0.465 718 T N 4.829 119.356 114.554 -0.045 0.000 2.916 718 T HA 0.161 4.514 4.350 0.005 0.000 0.303 718 T C 0.139 174.809 174.700 -0.050 0.000 1.025 718 T CA -0.185 61.880 62.100 -0.058 0.000 1.142 718 T CB 0.245 69.095 68.868 -0.031 0.000 0.947 718 T HN 0.407 nan 8.240 nan 0.000 0.544 719 L N 3.129 124.317 121.223 -0.058 0.000 2.295 719 L HA 0.579 4.922 4.340 0.005 0.000 0.285 719 L C 1.307 178.184 176.870 0.011 0.000 1.035 719 L CA -0.659 54.157 54.840 -0.039 0.000 0.806 719 L CB 0.744 42.758 42.059 -0.076 0.000 1.214 719 L HN 0.973 nan 8.230 nan 0.000 0.426 720 G N 2.021 110.833 108.800 0.020 0.000 2.564 720 G HA2 -0.203 3.760 3.960 0.005 0.000 0.273 720 G HA3 -0.203 3.760 3.960 0.005 0.000 0.273 720 G C -0.278 174.638 174.900 0.027 0.000 1.242 720 G CA 0.263 45.388 45.100 0.043 0.000 0.951 720 G HN 0.907 nan 8.290 nan 0.000 0.564 721 K N -0.227 120.190 120.400 0.029 0.000 2.350 721 K HA 0.820 5.143 4.320 0.005 0.000 0.241 721 K C 0.322 176.924 176.600 0.004 0.000 0.994 721 K CA 0.108 56.401 56.287 0.009 0.000 0.839 721 K CB 0.824 nan 32.500 nan 0.000 1.244 721 K HN 0.913 nan 8.250 nan 0.000 0.443 722 K N 0.754 121.148 120.400 -0.009 0.000 2.524 722 K HA 0.164 4.487 4.320 0.005 0.000 0.279 722 K C -0.260 176.305 176.600 -0.058 0.000 0.993 722 K CA 0.350 56.620 56.287 -0.027 0.000 1.030 722 K CB -0.103 32.381 32.500 -0.027 0.000 0.891 722 K HN 0.507 nan 8.250 nan 0.000 0.488 723 I N 3.171 123.679 120.570 -0.103 0.000 2.385 723 I HA 0.116 4.289 4.170 0.005 0.000 0.294 723 I C 0.022 176.012 176.117 -0.210 0.000 0.988 723 I CA -0.402 60.792 61.300 -0.178 0.000 1.265 723 I CB 1.282 39.103 38.000 -0.298 0.000 1.388 723 I HN 0.392 nan 8.210 nan 0.000 0.480 724 Q N 5.770 125.447 119.800 -0.204 0.000 2.292 724 Q HA 0.485 4.828 4.340 0.005 0.000 0.270 724 Q C -1.396 174.402 176.000 -0.337 0.000 1.024 724 Q CA -0.755 54.864 55.803 -0.307 0.000 0.768 724 Q CB 3.143 31.714 28.738 -0.278 0.000 1.250 724 Q HN 0.415 nan 8.270 nan 0.000 0.447 725 V N 3.475 123.164 119.914 -0.375 0.000 2.311 725 V HA 0.294 4.417 4.120 0.005 0.000 0.275 725 V C -0.013 175.907 176.094 -0.290 0.000 1.022 725 V CA -0.694 61.466 62.300 -0.233 0.000 0.830 725 V CB 0.471 32.225 31.823 -0.115 0.000 1.012 725 V HN 0.701 nan 8.190 nan 0.000 0.452 726 H N 2.214 121.270 119.070 -0.022 0.000 2.523 726 H HA 0.436 4.995 4.556 0.004 0.000 0.345 726 H C 0.894 176.216 175.328 -0.010 0.000 1.261 726 H CA -0.034 56.004 56.048 -0.017 0.000 1.343 726 H CB 1.590 31.342 29.762 -0.017 0.000 1.650 726 H HN 0.686 nan 8.280 nan 0.000 0.591 727 S N -0.230 115.555 115.700 0.142 0.000 3.586 727 S HA -0.153 4.320 4.470 0.005 0.000 0.309 727 S C 0.151 174.775 174.600 0.041 0.000 1.195 727 S CA 0.071 58.314 58.200 0.072 0.000 0.895 727 S CB -1.641 61.595 63.200 0.059 0.000 0.983 727 S HN 0.354 nan 8.310 nan 0.000 0.563 728 L N 1.510 122.752 121.223 0.032 0.000 2.350 728 L HA 0.508 4.851 4.340 0.005 0.000 0.275 728 L C 0.597 177.476 176.870 0.015 0.000 1.099 728 L CA -0.207 54.641 54.840 0.014 0.000 0.808 728 L CB 0.869 42.928 42.059 -0.000 0.000 1.149 728 L HN 0.424 nan 8.230 nan 0.000 0.442 729 E N 2.227 122.434 120.200 0.011 0.000 2.212 729 E HA 0.563 4.915 4.350 0.005 0.000 0.268 729 E C -1.550 175.057 176.600 0.012 0.000 0.902 729 E CA -0.872 55.535 56.400 0.013 0.000 0.779 729 E CB 2.219 31.926 29.700 0.012 0.000 1.172 729 E HN 0.245 nan 8.360 nan 0.000 0.409 730 V N 3.780 123.703 119.914 0.015 0.000 2.266 730 V HA 0.349 4.471 4.120 0.005 0.000 0.271 730 V C -2.286 173.819 176.094 0.019 0.000 1.032 730 V CA -1.877 60.435 62.300 0.020 0.000 0.806 730 V CB 0.509 32.346 31.823 0.023 0.000 1.052 730 V HN 0.721 nan 8.190 nan 0.000 0.449 731 P HA 0.221 nan 4.420 nan 0.000 0.272 731 P C 0.162 177.474 177.300 0.021 0.000 1.223 731 P CA 0.041 63.151 63.100 0.016 0.000 0.784 731 P CB 0.691 32.402 31.700 0.018 0.000 0.923 732 A N 2.873 125.699 122.820 0.010 0.000 2.587 732 A HA -0.031 4.292 4.320 0.005 0.000 0.235 732 A C 0.785 178.392 177.584 0.038 0.000 1.044 732 A CA 0.266 52.309 52.037 0.009 0.000 0.754 732 A CB -1.092 17.887 19.000 -0.034 0.000 0.968 732 A HN 0.727 nan 8.150 nan 0.000 0.509 733 N N -0.247 118.500 118.700 0.078 0.000 2.725 733 N HA -0.155 4.588 4.740 0.005 0.000 0.251 733 N C 0.041 175.600 175.510 0.082 0.000 1.031 733 N CA 1.674 54.795 53.050 0.119 0.000 0.720 733 N CB -1.527 37.056 38.487 0.160 0.000 0.930 733 N HN 1.265 nan 8.380 nan 0.000 0.543 734 T N -4.257 110.331 114.554 0.056 0.000 2.896 734 T HA 0.651 5.004 4.350 0.005 0.000 0.297 734 T C -0.320 174.402 174.700 0.036 0.000 1.108 734 T CA -0.743 61.386 62.100 0.048 0.000 1.004 734 T CB 2.679 71.575 68.868 0.048 0.000 1.159 734 T HN 0.053 nan 8.240 nan 0.000 0.499 735 S N 0.737 116.468 115.700 0.051 0.000 2.519 735 S HA 0.652 5.124 4.470 0.005 0.000 0.309 735 S C -1.219 173.488 174.600 0.178 0.000 1.100 735 S CA -0.757 57.498 58.200 0.091 0.000 1.059 735 S CB 0.161 63.382 63.200 0.035 0.000 1.008 735 S HN 0.716 nan 8.310 nan 0.000 0.478 736 K N 2.795 123.316 120.400 0.202 0.000 2.501 736 K HA 0.345 4.668 4.320 0.005 0.000 0.252 736 K C -1.266 175.261 176.600 -0.122 0.000 0.934 736 K CA -0.702 55.641 56.287 0.093 0.000 0.797 736 K CB 1.716 34.233 32.500 0.028 0.000 1.270 736 K HN 0.649 nan 8.250 nan 0.000 0.431 737 C N 2.902 121.932 119.300 -0.450 0.000 2.499 737 C HA 0.267 4.730 4.460 0.005 0.000 0.386 737 C C 1.560 176.360 174.990 -0.316 0.000 1.293 737 C CA -0.217 58.325 59.018 -0.794 0.000 1.884 737 C CB -0.841 26.349 27.740 -0.918 0.000 2.509 737 C HN 0.695 nan 8.230 nan 0.000 0.566 738 V N 3.344 123.130 119.914 -0.213 0.000 3.432 738 V HA 0.411 4.534 4.120 0.005 0.000 0.298 738 V C -0.333 175.784 176.094 0.037 0.000 1.464 738 V CA -0.036 62.222 62.300 -0.069 0.000 1.046 738 V CB -0.756 31.048 31.823 -0.032 0.000 0.887 738 V HN 0.821 nan 8.190 nan 0.000 0.441 739 Y N 0.495 120.699 120.300 -0.160 0.000 2.409 739 Y HA 0.703 5.256 4.550 0.004 0.000 0.321 739 Y C -0.846 174.992 175.900 -0.104 0.000 1.209 739 Y CA -1.095 56.933 58.100 -0.121 0.000 1.086 739 Y CB 1.509 39.909 38.460 -0.101 0.000 1.320 739 Y HN 0.235 nan 8.280 nan 0.000 0.440 740 R N 3.953 124.011 120.500 -0.736 0.000 2.673 740 R HA 0.958 5.300 4.340 0.005 0.000 0.281 740 R C -1.946 173.942 176.300 -0.686 0.000 0.991 740 R CA -0.777 55.025 56.100 -0.497 0.000 0.896 740 R CB 1.912 32.056 30.300 -0.260 0.000 1.201 740 R HN 0.829 nan 8.270 nan 0.000 0.457 741 A N 1.858 124.484 122.820 -0.324 0.000 2.513 741 A HA 0.382 4.705 4.320 0.005 0.000 0.296 741 A C -1.215 176.426 177.584 0.094 0.000 1.052 741 A CA -0.847 51.086 52.037 -0.173 0.000 0.714 741 A CB 1.519 20.377 19.000 -0.238 0.000 1.279 741 A HN 0.457 nan 8.150 nan 0.000 0.397 742 K N 1.749 122.197 120.400 0.080 0.000 2.355 742 K HA 0.266 4.589 4.320 0.005 0.000 0.270 742 K C 1.346 178.096 176.600 0.249 0.000 1.003 742 K CA -0.182 56.183 56.287 0.130 0.000 0.957 742 K CB 0.682 33.226 32.500 0.073 0.000 0.939 742 K HN 0.602 nan 8.250 nan 0.000 0.482 743 L N 0.143 121.477 121.223 0.185 0.000 2.109 743 L HA -0.031 4.312 4.340 0.005 0.000 0.207 743 L C 1.063 177.979 176.870 0.077 0.000 1.086 743 L CA 0.742 55.647 54.840 0.109 0.000 0.760 743 L CB -0.305 41.734 42.059 -0.032 0.000 0.910 743 L HN 0.721 nan 8.230 nan 0.000 0.437 744 D N 0.181 120.620 120.400 0.064 0.000 2.434 744 D HA 0.259 4.902 4.640 0.005 0.000 0.252 744 D C 1.086 177.428 176.300 0.070 0.000 1.185 744 D CA 1.315 55.340 54.000 0.041 0.000 0.886 744 D CB 0.756 41.572 40.800 0.027 0.000 1.148 744 D HN 0.347 nan 8.370 nan 0.000 0.483 745 G N 3.304 112.138 108.800 0.057 0.000 2.217 745 G HA2 -0.326 3.637 3.960 0.005 0.000 0.246 745 G HA3 -0.326 3.637 3.960 0.005 0.000 0.246 745 G C 0.738 175.729 174.900 0.151 0.000 0.990 745 G CA 0.460 45.605 45.100 0.075 0.000 0.627 745 G HN 0.554 nan 8.290 nan 0.000 0.522 746 W N 0.602 121.871 121.300 -0.052 0.000 2.780 746 W HA 0.665 5.328 4.660 0.005 0.000 0.272 746 W C 0.034 176.490 176.519 -0.105 0.000 1.116 746 W CA 0.601 57.909 57.345 -0.061 0.000 1.600 746 W CB -0.013 29.422 29.460 -0.040 0.000 1.086 746 W HN 0.111 nan 8.180 nan 0.000 0.584 747 L N 1.463 122.520 121.223 -0.276 0.000 2.370 747 L HA 0.376 4.719 4.340 0.005 0.000 0.266 747 L C 0.580 177.285 176.870 -0.274 0.000 1.002 747 L CA -0.810 53.758 54.840 -0.453 0.000 0.818 747 L CB 1.073 42.592 42.059 -0.900 0.000 1.325 747 L HN -0.006 nan 8.230 nan 0.000 0.418 748 T N -1.390 113.029 114.554 -0.224 0.000 2.902 748 T HA 0.465 4.817 4.350 0.005 0.000 0.280 748 T C -1.988 172.616 174.700 -0.161 0.000 0.992 748 T CA -1.693 60.317 62.100 -0.149 0.000 1.015 748 T CB 1.333 70.135 68.868 -0.110 0.000 1.044 748 T HN 0.412 nan 8.240 nan 0.000 0.520 749 P HA -0.054 nan 4.420 nan 0.000 0.216 749 P C 1.669 178.912 177.300 -0.094 0.000 1.150 749 P CA 0.760 63.805 63.100 -0.091 0.000 0.843 749 P CB -0.038 31.628 31.700 -0.057 0.000 0.787 750 E N -0.629 119.514 120.200 -0.094 0.000 2.077 750 E HA -0.174 4.179 4.350 0.005 0.000 0.193 750 E C 1.736 178.256 176.600 -0.133 0.000 0.989 750 E CA 1.417 57.762 56.400 -0.092 0.000 0.800 750 E CB -1.333 28.320 29.700 -0.079 0.000 0.746 750 E HN 0.435 nan 8.360 nan 0.000 0.452 751 D N -0.358 119.936 120.400 -0.177 0.000 2.144 751 D HA -0.070 4.573 4.640 0.005 0.000 0.200 751 D C 2.034 178.186 176.300 -0.246 0.000 0.978 751 D CA 1.008 54.866 54.000 -0.236 0.000 0.833 751 D CB -0.544 40.081 40.800 -0.292 0.000 0.961 751 D HN 0.341 nan 8.370 nan 0.000 0.470 752 C N 0.594 119.752 119.300 -0.236 0.000 2.419 752 C HA -0.037 4.426 4.460 0.005 0.000 0.281 752 C C 2.396 177.424 174.990 0.064 0.000 1.336 752 C CA 0.305 59.245 59.018 -0.131 0.000 1.770 752 C CB -0.822 26.843 27.740 -0.126 0.000 1.929 752 C HN 0.320 nan 8.230 nan 0.000 0.509 753 R N 0.132 120.627 120.500 -0.008 0.000 2.275 753 R HA 0.064 4.407 4.340 0.005 0.000 0.199 753 R C 1.506 177.783 176.300 -0.038 0.000 0.989 753 R CA 0.593 56.719 56.100 0.044 0.000 1.016 753 R CB 0.019 30.327 30.300 0.013 0.000 0.918 753 R HN 0.593 nan 8.270 nan 0.000 0.473 754 R N -0.507 119.792 120.500 -0.334 0.000 2.549 754 R HA 0.150 4.493 4.340 0.005 0.000 0.361 754 R C -0.189 175.309 176.300 -1.336 0.000 0.969 754 R CA 0.002 55.549 56.100 -0.922 0.000 1.158 754 R CB 1.287 31.317 30.300 -0.450 0.000 1.456 754 R HN 0.021 nan 8.270 nan 0.000 0.540 755 S N 0.108 115.415 115.700 -0.655 0.000 2.732 755 S HA 0.771 5.244 4.470 0.005 0.000 0.293 755 S C -0.735 174.067 174.600 0.337 0.000 1.159 755 S CA -0.927 57.141 58.200 -0.220 0.000 0.847 755 S CB 1.573 64.650 63.200 -0.204 0.000 1.169 755 S HN 0.189 nan 8.310 nan 0.000 0.501 756 F N -1.021 119.005 119.950 0.126 0.000 2.629 756 F HA 0.858 5.387 4.527 0.005 0.000 0.316 756 F C -1.479 174.261 175.800 -0.101 0.000 1.081 756 F CA -1.459 56.394 58.000 -0.245 0.000 0.954 756 F CB 0.956 39.479 39.000 -0.796 0.000 1.337 756 F HN 0.595 nan 8.300 nan 0.000 0.474 757 L N 2.831 124.010 121.223 -0.073 0.000 2.272 757 L HA 0.502 4.845 4.340 0.005 0.000 0.289 757 L C -0.522 176.432 176.870 0.139 0.000 1.032 757 L CA -0.371 54.511 54.840 0.068 0.000 0.810 757 L CB 1.103 43.218 42.059 0.094 0.000 1.205 757 L HN 0.792 nan 8.230 nan 0.000 0.422 758 K N 4.528 125.012 120.400 0.139 0.000 2.185 758 K HA 0.725 5.048 4.320 0.005 0.000 0.269 758 K C -1.660 174.984 176.600 0.074 0.000 0.987 758 K CA -0.513 55.865 56.287 0.152 0.000 0.865 758 K CB 0.814 33.423 32.500 0.181 0.000 1.090 758 K HN 0.544 nan 8.250 nan 0.000 0.450 759 L N 5.168 126.423 121.223 0.053 0.000 2.408 759 L HA 0.593 4.936 4.340 0.005 0.000 0.268 759 L C -0.764 176.112 176.870 0.010 0.000 0.986 759 L CA -0.514 54.335 54.840 0.015 0.000 0.820 759 L CB 1.844 43.909 42.059 0.011 0.000 1.303 759 L HN 0.578 nan 8.230 nan 0.000 0.411 760 I N 2.846 123.410 120.570 -0.011 0.000 2.656 760 I HA 0.467 4.640 4.170 0.005 0.000 0.292 760 I C -1.533 174.571 176.117 -0.021 0.000 1.144 760 I CA -0.681 60.615 61.300 -0.007 0.000 1.038 760 I CB 2.729 40.727 38.000 -0.004 0.000 1.244 760 I HN 0.408 nan 8.210 nan 0.000 0.420 761 L N 7.954 129.173 121.223 -0.007 0.000 2.341 761 L HA 0.620 4.963 4.340 0.005 0.000 0.278 761 L C -0.968 175.908 176.870 0.009 0.000 1.005 761 L CA -0.005 54.831 54.840 -0.007 0.000 0.818 761 L CB 1.078 43.139 42.059 0.002 0.000 1.259 761 L HN 0.582 nan 8.230 nan 0.000 0.418 762 K N 1.811 122.216 120.400 0.009 0.000 2.508 762 K HA 0.589 4.911 4.320 0.005 0.000 0.260 762 K C -1.406 175.221 176.600 0.044 0.000 0.949 762 K CA -0.837 55.468 56.287 0.032 0.000 0.834 762 K CB 1.849 34.362 32.500 0.022 0.000 1.365 762 K HN 0.547 nan 8.250 nan 0.000 0.437 763 D N 0.879 121.323 120.400 0.073 0.000 2.414 763 D HA 0.040 4.683 4.640 0.005 0.000 0.259 763 D C 0.888 177.236 176.300 0.079 0.000 1.269 763 D CA -0.435 53.612 54.000 0.078 0.000 1.028 763 D CB 0.580 41.438 40.800 0.096 0.000 1.093 763 D HN 0.428 nan 8.370 nan 0.000 0.545 764 K N -0.363 120.082 120.400 0.074 0.000 2.074 764 K HA -0.138 4.185 4.320 0.005 0.000 0.209 764 K C 1.867 178.502 176.600 0.058 0.000 1.048 764 K CA 1.743 58.067 56.287 0.061 0.000 0.926 764 K CB -0.774 31.755 32.500 0.049 0.000 0.713 764 K HN 0.610 nan 8.250 nan 0.000 0.444 765 S N -1.407 114.349 115.700 0.093 0.000 2.603 765 S HA 0.137 4.610 4.470 0.005 0.000 0.220 765 S C 1.233 175.784 174.600 -0.081 0.000 0.967 765 S CA 0.653 58.891 58.200 0.064 0.000 0.920 765 S CB 0.150 63.473 63.200 0.205 0.000 0.773 765 S HN 0.423 nan 8.310 nan 0.000 0.529 766 G N 0.806 109.576 108.800 -0.049 0.000 2.141 766 G HA2 -0.219 3.744 3.960 0.005 0.000 0.231 766 G HA3 -0.219 3.744 3.960 0.005 0.000 0.231 766 G C -0.295 174.497 174.900 -0.180 0.000 0.984 766 G CA -0.164 44.868 45.100 -0.112 0.000 0.660 766 G HN 0.696 nan 8.290 nan 0.000 0.525 767 H N 0.605 119.683 119.070 0.013 0.000 2.690 767 H HA 0.481 5.040 4.556 0.005 0.000 0.314 767 H C 0.629 175.964 175.328 0.011 0.000 1.069 767 H CA 0.138 56.193 56.048 0.011 0.000 1.436 767 H CB 0.916 30.684 29.762 0.011 0.000 1.462 767 H HN 0.386 nan 8.280 nan 0.000 0.511 768 Q N 3.088 122.950 119.800 0.102 0.000 2.304 768 Q HA 0.130 4.472 4.340 0.005 0.000 0.260 768 Q C 0.633 176.673 176.000 0.066 0.000 0.965 768 Q CA -0.328 55.511 55.803 0.061 0.000 0.898 768 Q CB 0.844 29.604 28.738 0.037 0.000 1.196 768 Q HN 0.746 nan 8.270 nan 0.000 0.402 769 V N 0.443 120.387 119.914 0.050 0.000 3.570 769 V HA 0.649 4.771 4.120 0.005 0.000 0.257 769 V C 0.087 176.203 176.094 0.036 0.000 1.272 769 V CA 0.589 62.916 62.300 0.044 0.000 1.079 769 V CB 0.455 32.303 31.823 0.042 0.000 0.829 769 V HN 0.630 nan 8.190 nan 0.000 0.454 770 A N 0.907 123.745 122.820 0.030 0.000 2.589 770 A HA 0.804 5.127 4.320 0.005 0.000 0.296 770 A C -0.977 176.620 177.584 0.021 0.000 1.062 770 A CA -0.160 51.893 52.037 0.027 0.000 0.686 770 A CB 1.545 20.561 19.000 0.027 0.000 1.282 770 A HN 0.713 nan 8.150 nan 0.000 0.404 771 E N 0.160 120.372 120.200 0.021 0.000 2.390 771 E HA 0.783 5.136 4.350 0.005 0.000 0.277 771 E C -0.855 175.759 176.600 0.023 0.000 0.939 771 E CA -0.738 55.673 56.400 0.019 0.000 0.769 771 E CB 2.046 31.756 29.700 0.017 0.000 1.251 771 E HN 0.649 nan 8.360 nan 0.000 0.450 772 S N 0.709 116.426 115.700 0.028 0.000 2.627 772 S HA 0.651 5.124 4.470 0.005 0.000 0.283 772 S C -1.453 173.172 174.600 0.041 0.000 1.127 772 S CA -0.600 57.622 58.200 0.035 0.000 0.863 772 S CB 1.795 65.019 63.200 0.041 0.000 1.121 772 S HN 0.440 nan 8.310 nan 0.000 0.479 773 V N 2.626 122.563 119.914 0.038 0.000 2.680 773 V HA 0.543 4.666 4.120 0.005 0.000 0.309 773 V C -0.910 175.198 176.094 0.023 0.000 1.052 773 V CA -0.687 61.618 62.300 0.008 0.000 0.908 773 V CB 1.570 33.342 31.823 -0.085 0.000 1.001 773 V HN 0.979 nan 8.190 nan 0.000 0.431 774 H N 2.887 121.844 119.070 -0.188 0.000 2.538 774 H HA 0.697 5.256 4.556 0.005 0.000 0.353 774 H C -1.652 173.341 175.328 -0.559 0.000 1.109 774 H CA -0.604 55.288 56.048 -0.260 0.000 1.192 774 H CB 1.381 30.989 29.762 -0.256 0.000 1.555 774 H HN 0.449 nan 8.280 nan 0.000 0.518 775 F N 4.362 123.755 119.950 -0.929 0.000 2.480 775 F HA 0.257 4.787 4.527 0.005 0.000 0.329 775 F C 0.051 175.313 175.800 -0.897 0.000 1.091 775 F CA -0.585 57.009 58.000 -0.677 0.000 0.972 775 F CB 1.108 39.936 39.000 -0.287 0.000 1.150 775 F HN 0.578 nan 8.300 nan 0.000 0.467 776 F N 0.567 120.489 119.950 -0.047 0.000 2.749 776 F HA 0.303 4.833 4.527 0.005 0.000 0.300 776 F C 0.869 176.674 175.800 0.009 0.000 1.103 776 F CA -0.018 57.974 58.000 -0.014 0.000 1.342 776 F CB 0.038 39.031 39.000 -0.012 0.000 1.098 776 F HN 0.139 nan 8.300 nan 0.000 0.586 777 R N 0.357 120.962 120.500 0.176 0.000 2.867 777 R HA 0.382 4.725 4.340 0.005 0.000 0.268 777 R C -0.347 175.941 176.300 -0.020 0.000 1.014 777 R CA -1.062 55.086 56.100 0.080 0.000 0.946 777 R CB 1.338 31.694 30.300 0.093 0.000 1.208 777 R HN -0.000 nan 8.270 nan 0.000 0.477 778 K N 0.290 120.637 120.400 -0.087 0.000 2.414 778 K HA 0.037 4.360 4.320 0.005 0.000 0.272 778 K C 0.995 177.452 176.600 -0.238 0.000 0.993 778 K CA 0.208 56.372 56.287 -0.205 0.000 0.964 778 K CB 0.435 32.807 32.500 -0.212 0.000 0.925 778 K HN 0.422 nan 8.250 nan 0.000 0.487 779 T N 2.247 116.555 114.554 -0.410 0.000 2.759 779 T HA -0.194 4.159 4.350 0.005 0.000 0.269 779 T C 1.598 176.160 174.700 -0.230 0.000 1.042 779 T CA 1.783 63.660 62.100 -0.372 0.000 1.140 779 T CB -0.115 68.436 68.868 -0.529 0.000 0.864 779 T HN 0.640 nan 8.240 nan 0.000 0.455 780 K N 0.949 121.176 120.400 -0.288 0.000 2.280 780 K HA -0.082 4.241 4.320 0.005 0.000 0.202 780 K C 1.022 177.544 176.600 -0.129 0.000 1.047 780 K CA 1.501 57.669 56.287 -0.199 0.000 0.942 780 K CB 0.039 32.418 32.500 -0.201 0.000 0.739 780 K HN 0.163 nan 8.250 nan 0.000 0.457 781 D N 0.826 121.170 120.400 -0.093 0.000 2.349 781 D HA 0.141 4.784 4.640 0.005 0.000 0.214 781 D C 0.132 176.454 176.300 0.038 0.000 1.063 781 D CA 0.092 54.072 54.000 -0.033 0.000 0.847 781 D CB 0.209 40.989 40.800 -0.033 0.000 0.933 781 D HN 0.185 nan 8.370 nan 0.000 0.513 782 L N 0.898 122.164 121.223 0.071 0.000 2.371 782 L HA 0.227 4.570 4.340 0.005 0.000 0.272 782 L C 0.630 177.648 176.870 0.247 0.000 1.124 782 L CA -0.233 54.737 54.840 0.216 0.000 0.816 782 L CB 0.799 43.002 42.059 0.239 0.000 1.129 782 L HN -0.365 nan 8.230 nan 0.000 0.448 783 Q N 3.554 123.547 119.800 0.322 0.000 3.006 783 Q HA 0.332 4.675 4.340 0.005 0.000 0.260 783 Q C -0.851 175.412 176.000 0.438 0.000 1.356 783 Q CA -0.103 55.866 55.803 0.277 0.000 1.070 783 Q CB 0.333 29.161 28.738 0.150 0.000 1.507 783 Q HN 0.474 nan 8.270 nan 0.000 0.568 784 L N 4.015 125.450 121.223 0.353 0.000 2.410 784 L HA 0.238 4.580 4.340 0.005 0.000 0.273 784 L C -1.833 175.156 176.870 0.200 0.000 1.144 784 L CA -1.691 53.290 54.840 0.235 0.000 0.863 784 L CB 0.083 42.214 42.059 0.119 0.000 1.140 784 L HN 0.238 nan 8.230 nan 0.000 0.463 785 P HA 0.267 nan 4.420 nan 0.000 0.279 785 P C -2.569 174.780 177.300 0.081 0.000 1.239 785 P CA -1.778 61.403 63.100 0.134 0.000 0.789 785 P CB 0.302 32.090 31.700 0.146 0.000 0.933 786 P HA 0.164 nan 4.420 nan 0.000 0.266 786 P C -0.138 177.193 177.300 0.052 0.000 1.195 786 P CA 0.742 63.869 63.100 0.044 0.000 0.768 786 P CB 0.355 32.069 31.700 0.024 0.000 0.838 787 T N 0.851 115.450 114.554 0.075 0.000 2.827 787 T HA 0.432 4.785 4.350 0.005 0.000 0.328 787 T C -1.579 173.153 174.700 0.053 0.000 1.598 787 T CA -0.459 61.655 62.100 0.023 0.000 1.043 787 T CB 0.701 69.525 68.868 -0.073 0.000 1.447 787 T HN 0.110 nan 8.240 nan 0.000 0.491 788 S N 1.884 117.583 115.700 -0.002 0.000 2.596 788 S HA 0.581 5.054 4.470 0.005 0.000 0.318 788 S C -0.529 174.057 174.600 -0.024 0.000 1.097 788 S CA -0.497 57.715 58.200 0.019 0.000 1.080 788 S CB 0.647 63.864 63.200 0.030 0.000 0.991 788 S HN 0.582 nan 8.310 nan 0.000 0.471 789 V N 5.770 125.669 119.914 -0.025 0.000 2.370 789 V HA 0.256 4.379 4.120 0.005 0.000 0.257 789 V C 0.727 176.886 176.094 0.108 0.000 1.064 789 V CA -0.449 61.844 62.300 -0.010 0.000 0.975 789 V CB -0.027 31.762 31.823 -0.055 0.000 1.067 789 V HN 0.902 nan 8.190 nan 0.000 0.485 790 S N 5.796 121.572 115.700 0.126 0.000 2.610 790 S HA 0.765 5.238 4.470 0.005 0.000 0.273 790 S C -0.705 174.029 174.600 0.224 0.000 1.274 790 S CA -0.535 57.739 58.200 0.123 0.000 1.023 790 S CB 1.167 64.417 63.200 0.085 0.000 0.962 790 S HN 0.756 nan 8.310 nan 0.000 0.523 791 Y N -2.635 117.684 120.300 0.032 0.000 2.588 791 Y HA 0.775 5.328 4.550 0.005 0.000 0.343 791 Y C -0.522 175.385 175.900 0.011 0.000 1.065 791 Y CA -1.314 56.803 58.100 0.028 0.000 1.038 791 Y CB 0.492 38.958 38.460 0.010 0.000 1.297 791 Y HN 0.825 nan 8.280 nan 0.000 0.467 792 Q N 2.640 122.514 119.800 0.124 0.000 2.309 792 Q HA 0.760 5.103 4.340 0.005 0.000 0.264 792 Q C -1.535 174.553 176.000 0.146 0.000 1.008 792 Q CA -0.901 54.929 55.803 0.045 0.000 0.853 792 Q CB 2.409 31.156 28.738 0.015 0.000 1.314 792 Q HN 0.923 nan 8.270 nan 0.000 0.448 793 M N 1.616 121.280 119.600 0.107 0.000 2.311 793 M HA 0.701 5.184 4.480 0.005 0.000 0.325 793 M C -0.530 175.797 176.300 0.045 0.000 1.061 793 M CA -0.499 54.870 55.300 0.114 0.000 0.957 793 M CB 1.914 34.610 32.600 0.161 0.000 1.646 793 M HN 0.686 nan 8.290 nan 0.000 0.434 794 K N 3.950 124.368 120.400 0.030 0.000 2.540 794 K HA 0.400 4.723 4.320 0.005 0.000 0.218 794 K C -1.138 175.462 176.600 -0.000 0.000 1.017 794 K CA -0.648 55.644 56.287 0.010 0.000 1.029 794 K CB 1.202 33.706 32.500 0.005 0.000 1.348 794 K HN 0.816 nan 8.250 nan 0.000 0.508 795 Q N 1.714 121.513 119.800 -0.002 0.000 2.278 795 Q HA 0.564 4.907 4.340 0.005 0.000 0.257 795 Q C 0.073 176.065 176.000 -0.014 0.000 0.928 795 Q CA -0.235 55.561 55.803 -0.012 0.000 0.932 795 Q CB 1.259 29.991 28.738 -0.011 0.000 1.221 795 Q HN 0.782 nan 8.270 nan 0.000 0.434 796 T N -0.355 114.188 114.554 -0.019 0.000 2.693 796 T HA 0.341 4.694 4.350 0.005 0.000 0.278 796 T C -0.572 174.116 174.700 -0.020 0.000 0.994 796 T CA -1.015 61.075 62.100 -0.016 0.000 1.033 796 T CB 0.833 69.692 68.868 -0.015 0.000 1.342 796 T HN 0.432 nan 8.240 nan 0.000 0.538 797 D N 0.460 120.850 120.400 -0.016 0.000 2.417 797 D HA 0.416 5.059 4.640 0.005 0.000 0.250 797 D C 1.539 177.827 176.300 -0.021 0.000 1.166 797 D CA 1.831 55.821 54.000 -0.016 0.000 0.881 797 D CB 0.610 41.404 40.800 -0.011 0.000 1.164 797 D HN 1.097 nan 8.370 nan 0.000 0.467 798 G N 2.895 111.679 108.800 -0.026 0.000 2.304 798 G HA2 -0.306 3.656 3.960 0.005 0.000 0.252 798 G HA3 -0.306 3.656 3.960 0.005 0.000 0.252 798 G C 0.569 175.441 174.900 -0.047 0.000 1.014 798 G CA 0.567 45.647 45.100 -0.033 0.000 0.619 798 G HN 0.556 nan 8.290 nan 0.000 0.525 799 K N -0.470 119.902 120.400 -0.046 0.000 2.378 799 K HA 0.629 4.952 4.320 0.005 0.000 0.252 799 K C -1.417 175.148 176.600 -0.057 0.000 0.931 799 K CA -0.555 55.700 56.287 -0.054 0.000 0.794 799 K CB 1.905 34.382 32.500 -0.038 0.000 1.181 799 K HN 0.215 nan 8.250 nan 0.000 0.425 800 C N 3.871 123.125 119.300 -0.076 0.000 2.383 800 C HA 0.383 4.846 4.460 0.005 0.000 0.330 800 C C -1.079 173.874 174.990 -0.062 0.000 1.168 800 C CA -0.512 58.465 59.018 -0.070 0.000 1.374 800 C CB 0.577 28.257 27.740 -0.100 0.000 2.014 800 C HN 0.815 nan 8.230 nan 0.000 0.439 801 E N 4.365 124.547 120.200 -0.030 0.000 2.134 801 E HA 0.542 4.895 4.350 0.005 0.000 0.278 801 E C -1.231 175.375 176.600 0.011 0.000 0.959 801 E CA -0.451 55.940 56.400 -0.014 0.000 0.783 801 E CB 1.568 31.265 29.700 -0.006 0.000 1.095 801 E HN 0.452 nan 8.360 nan 0.000 0.399 802 L N 2.166 123.398 121.223 0.015 0.000 2.346 802 L HA 0.380 4.723 4.340 0.005 0.000 0.276 802 L C -0.074 176.838 176.870 0.070 0.000 1.006 802 L CA -0.546 54.328 54.840 0.057 0.000 0.817 802 L CB 1.935 43.989 42.059 -0.007 0.000 1.272 802 L HN 0.378 nan 8.230 nan 0.000 0.421 803 T N 2.668 117.288 114.554 0.109 0.000 2.770 803 T HA 0.734 5.087 4.350 0.005 0.000 0.283 803 T C -0.498 174.302 174.700 0.167 0.000 0.988 803 T CA -0.561 61.603 62.100 0.107 0.000 0.957 803 T CB 1.170 70.085 68.868 0.078 0.000 0.930 803 T HN 0.045 nan 8.240 nan 0.000 0.443 804 L N 3.268 124.591 121.223 0.166 0.000 2.325 804 L HA 0.709 5.052 4.340 0.005 0.000 0.278 804 L C -0.627 176.388 176.870 0.241 0.000 1.023 804 L CA -0.860 54.098 54.840 0.197 0.000 0.811 804 L CB 0.986 43.133 42.059 0.147 0.000 1.249 804 L HN 0.684 nan 8.230 nan 0.000 0.431 805 F N 1.537 121.522 119.950 0.058 0.000 2.569 805 F HA 0.710 5.240 4.527 0.005 0.000 0.312 805 F C -0.438 175.370 175.800 0.013 0.000 1.109 805 F CA -0.233 57.786 58.000 0.032 0.000 0.919 805 F CB 2.081 41.095 39.000 0.024 0.000 1.211 805 F HN 0.368 nan 8.300 nan 0.000 0.446 806 S N 2.572 117.792 115.700 -0.799 0.000 2.619 806 S HA 0.332 4.805 4.470 0.005 0.000 0.280 806 S C 0.455 174.483 174.600 -0.953 0.000 1.150 806 S CA -0.026 57.758 58.200 -0.693 0.000 0.978 806 S CB 1.348 64.328 63.200 -0.367 0.000 1.041 806 S HN 0.838 nan 8.310 nan 0.000 0.485 807 S N 4.622 119.924 115.700 -0.662 0.000 2.400 807 S HA 0.027 4.500 4.470 0.005 0.000 0.232 807 S C 0.749 175.254 174.600 -0.158 0.000 1.025 807 S CA 0.857 58.870 58.200 -0.312 0.000 0.993 807 S CB -0.424 62.771 63.200 -0.008 0.000 0.808 807 S HN 0.689 nan 8.310 nan 0.000 0.478 808 M N 0.674 120.190 119.600 -0.141 0.000 2.644 808 M HA 0.490 4.973 4.480 0.005 0.000 0.316 808 M C -0.693 175.550 176.300 -0.095 0.000 1.200 808 M CA -1.089 54.185 55.300 -0.043 0.000 0.944 808 M CB 1.688 34.291 32.600 0.004 0.000 1.691 808 M HN 0.135 nan 8.290 nan 0.000 0.471 809 L N 2.255 123.464 121.223 -0.024 0.000 2.615 809 L HA 0.215 4.558 4.340 0.005 0.000 0.284 809 L C -0.449 176.273 176.870 -0.248 0.000 1.237 809 L CA 0.671 55.426 54.840 -0.141 0.000 0.905 809 L CB 0.183 42.114 42.059 -0.213 0.000 1.149 809 L HN 0.758 nan 8.230 nan 0.000 0.499 810 A N 5.207 127.842 122.820 -0.308 0.000 2.318 810 A HA 0.599 4.922 4.320 0.005 0.000 0.317 810 A C -0.619 176.810 177.584 -0.258 0.000 1.159 810 A CA -0.822 50.947 52.037 -0.447 0.000 0.799 810 A CB 0.911 19.477 19.000 -0.725 0.000 1.194 810 A HN 0.657 nan 8.150 nan 0.000 0.479 811 K N 2.167 122.483 120.400 -0.140 0.000 2.172 811 K HA 0.334 4.657 4.320 0.005 0.000 0.276 811 K C -0.468 176.105 176.600 -0.046 0.000 1.013 811 K CA -0.034 56.166 56.287 -0.146 0.000 0.913 811 K CB 0.366 32.756 32.500 -0.184 0.000 1.055 811 K HN 0.679 nan 8.250 nan 0.000 0.461 812 D N 3.059 123.407 120.400 -0.087 0.000 2.802 812 D HA -0.237 4.406 4.640 0.005 0.000 0.229 812 D C -0.014 176.297 176.300 0.019 0.000 1.203 812 D CA 1.087 55.074 54.000 -0.022 0.000 0.712 812 D CB -1.164 39.638 40.800 0.003 0.000 0.973 812 D HN 0.606 nan 8.370 nan 0.000 0.407 813 I N -2.352 118.074 120.570 -0.239 0.000 2.634 813 I HA 0.349 4.521 4.170 0.005 0.000 0.284 813 I C 0.001 175.834 176.117 -0.474 0.000 1.124 813 I CA -0.411 60.689 61.300 -0.334 0.000 1.417 813 I CB 0.586 38.294 38.000 -0.486 0.000 1.396 813 I HN -0.103 nan 8.210 nan 0.000 0.571 814 F N 7.735 127.284 119.950 -0.669 0.000 2.375 814 F HA 0.585 5.115 4.527 0.005 0.000 0.361 814 F C -0.559 174.826 175.800 -0.691 0.000 1.117 814 F CA -2.047 55.384 58.000 -0.949 0.000 1.037 814 F CB 0.858 39.406 39.000 -0.753 0.000 1.192 814 F HN 0.375 nan 8.300 nan 0.000 0.452 815 I N 5.644 125.808 120.570 -0.677 0.000 2.294 815 I HA 0.178 4.351 4.170 0.005 0.000 0.295 815 I C 0.115 175.755 176.117 -0.795 0.000 1.098 815 I CA 0.009 60.956 61.300 -0.589 0.000 1.277 815 I CB 0.391 38.234 38.000 -0.262 0.000 1.434 815 I HN 0.543 nan 8.210 nan 0.000 0.498 816 E N 5.879 125.483 120.200 -0.993 0.000 2.197 816 E HA 0.458 4.811 4.350 0.005 0.000 0.281 816 E C -0.669 175.712 176.600 -0.364 0.000 0.995 816 E CA -0.516 55.324 56.400 -0.934 0.000 0.808 816 E CB 1.211 30.288 29.700 -1.039 0.000 1.093 816 E HN 0.647 nan 8.360 nan 0.000 0.394 817 T N 1.098 115.557 114.554 -0.159 0.000 2.906 817 T HA 0.436 4.789 4.350 0.005 0.000 0.295 817 T C -2.289 172.388 174.700 -0.039 0.000 1.061 817 T CA -1.784 60.265 62.100 -0.085 0.000 1.000 817 T CB 1.700 70.528 68.868 -0.065 0.000 1.103 817 T HN 0.228 nan 8.240 nan 0.000 0.486 818 P HA 0.235 nan 4.420 nan 0.000 0.245 818 P C 0.252 177.544 177.300 -0.014 0.000 1.206 818 P CA -0.076 63.012 63.100 -0.021 0.000 0.781 818 P CB 0.078 31.764 31.700 -0.023 0.000 0.994 819 L N 1.356 122.569 121.223 -0.016 0.000 2.565 819 L HA 0.047 4.390 4.340 0.005 0.000 0.275 819 L C 0.839 177.715 176.870 0.010 0.000 1.137 819 L CA -0.076 54.755 54.840 -0.015 0.000 0.915 819 L CB -0.192 41.846 42.059 -0.035 0.000 1.232 819 L HN 0.032 nan 8.230 nan 0.000 0.473 820 Q N 2.539 122.338 119.800 -0.001 0.000 2.286 820 Q HA 0.006 4.349 4.340 0.005 0.000 0.290 820 Q C 1.267 177.302 176.000 0.058 0.000 1.049 820 Q CA 1.046 56.857 55.803 0.014 0.000 0.923 820 Q CB 0.794 29.495 28.738 -0.063 0.000 1.183 820 Q HN 0.921 nan 8.270 nan 0.000 0.383 821 G N 1.637 110.502 108.800 0.109 0.000 2.184 821 G HA2 -0.339 3.623 3.960 0.005 0.000 0.264 821 G HA3 -0.339 3.623 3.960 0.005 0.000 0.264 821 G C 0.437 175.379 174.900 0.069 0.000 0.975 821 G CA 0.250 45.413 45.100 0.106 0.000 0.642 821 G HN 0.959 nan 8.290 nan 0.000 0.536 822 A N 0.095 122.945 122.820 0.051 0.000 2.565 822 A HA 0.531 4.854 4.320 0.005 0.000 0.237 822 A C 0.862 178.431 177.584 -0.026 0.000 1.053 822 A CA 0.788 52.798 52.037 -0.045 0.000 0.755 822 A CB 0.157 19.081 19.000 -0.126 0.000 0.980 822 A HN 0.610 nan 8.150 nan 0.000 0.506 823 R N 0.491 120.907 120.500 -0.141 0.000 2.604 823 R HA 0.575 4.918 4.340 0.005 0.000 0.287 823 R C -1.627 174.560 176.300 -0.190 0.000 0.970 823 R CA -0.276 55.749 56.100 -0.125 0.000 0.946 823 R CB 1.441 31.644 30.300 -0.161 0.000 1.127 823 R HN 0.759 nan 8.270 nan 0.000 0.473 824 Y N -0.490 119.716 120.300 -0.155 0.000 2.442 824 Y HA 0.066 4.619 4.550 0.005 0.000 0.344 824 Y C 1.395 177.268 175.900 -0.044 0.000 0.976 824 Y CA -0.628 57.444 58.100 -0.047 0.000 1.040 824 Y CB 2.356 40.855 38.460 0.065 0.000 1.228 824 Y HN 0.748 nan 8.280 nan 0.000 0.451 825 S N 0.089 115.861 115.700 0.121 0.000 2.370 825 S HA -0.108 4.365 4.470 0.005 0.000 0.226 825 S C 0.163 174.850 174.600 0.145 0.000 1.033 825 S CA 1.666 59.914 58.200 0.080 0.000 1.011 825 S CB 0.058 63.278 63.200 0.033 0.000 0.852 825 S HN 0.730 nan 8.310 nan 0.000 0.457 826 D N -0.558 119.953 120.400 0.184 0.000 2.623 826 D HA 0.637 5.280 4.640 0.005 0.000 0.241 826 D C -1.652 174.711 176.300 0.104 0.000 1.241 826 D CA -0.476 53.622 54.000 0.163 0.000 0.788 826 D CB 1.896 42.683 40.800 -0.021 0.000 1.413 826 D HN 0.126 nan 8.370 nan 0.000 0.429 827 N N 0.488 119.049 118.700 -0.231 0.000 3.127 827 N HA 0.323 5.066 4.740 0.005 0.000 0.239 827 N C -1.264 173.922 175.510 -0.540 0.000 1.407 827 N CA -0.461 52.220 53.050 -0.615 0.000 0.891 827 N CB 0.724 38.493 38.487 -1.197 0.000 1.447 827 N HN 0.436 nan 8.380 nan 0.000 0.507 828 F N -0.020 119.597 119.950 -0.556 0.000 2.905 828 F HA -0.204 4.326 4.527 0.005 0.000 0.291 828 F C -0.598 175.083 175.800 -0.198 0.000 1.002 828 F CA 0.730 58.515 58.000 -0.358 0.000 0.978 828 F CB -1.761 37.072 39.000 -0.279 0.000 1.036 828 F HN 0.350 nan 8.300 nan 0.000 0.820 829 F N -1.994 117.927 119.950 -0.049 0.000 2.603 829 F HA 0.739 5.269 4.527 0.005 0.000 0.317 829 F C -0.277 175.480 175.800 -0.072 0.000 1.066 829 F CA -2.029 55.939 58.000 -0.053 0.000 0.941 829 F CB 0.936 39.893 39.000 -0.071 0.000 1.291 829 F HN -0.151 nan 8.300 nan 0.000 0.472 830 D N 2.613 123.123 120.400 0.183 0.000 2.312 830 D HA 0.219 4.862 4.640 0.005 0.000 0.252 830 D C -0.674 175.723 176.300 0.161 0.000 1.150 830 D CA 0.014 54.045 54.000 0.051 0.000 0.870 830 D CB 2.187 42.985 40.800 -0.004 0.000 1.153 830 D HN 0.533 nan 8.370 nan 0.000 0.457 831 L N 4.194 125.446 121.223 0.048 0.000 2.268 831 L HA 0.206 4.549 4.340 0.005 0.000 0.289 831 L C -0.480 176.344 176.870 -0.076 0.000 1.064 831 L CA -0.288 54.589 54.840 0.062 0.000 0.824 831 L CB 0.134 42.194 42.059 0.002 0.000 1.202 831 L HN 0.227 nan 8.230 nan 0.000 0.433 832 L N 7.000 128.184 121.223 -0.066 0.000 2.439 832 L HA 0.340 4.683 4.340 0.005 0.000 0.269 832 L C -1.766 175.088 176.870 -0.028 0.000 1.179 832 L CA -1.909 52.888 54.840 -0.071 0.000 0.828 832 L CB 0.107 42.152 42.059 -0.024 0.000 1.106 832 L HN 0.492 nan 8.230 nan 0.000 0.467 833 P HA -0.007 nan 4.420 nan 0.000 0.263 833 P C 0.789 178.079 177.300 -0.016 0.000 1.195 833 P CA 0.803 63.904 63.100 0.002 0.000 0.762 833 P CB 0.924 32.705 31.700 0.134 0.000 0.799 834 G N 3.151 111.848 108.800 -0.171 0.000 2.304 834 G HA2 -0.261 3.702 3.960 0.005 0.000 0.252 834 G HA3 -0.261 3.702 3.960 0.005 0.000 0.252 834 G C -0.042 174.963 174.900 0.175 0.000 1.014 834 G CA -0.090 45.019 45.100 0.015 0.000 0.619 834 G HN 0.598 nan 8.290 nan 0.000 0.525 835 E N 1.751 121.986 120.200 0.059 0.000 2.046 835 E HA 0.575 4.928 4.350 0.005 0.000 0.279 835 E C 0.844 177.515 176.600 0.120 0.000 0.989 835 E CA -0.020 56.445 56.400 0.108 0.000 0.798 835 E CB 0.607 30.348 29.700 0.067 0.000 1.086 835 E HN 0.713 nan 8.360 nan 0.000 0.399 836 R N 2.650 123.264 120.500 0.191 0.000 2.694 836 R HA 0.217 4.560 4.340 0.005 0.000 0.268 836 R C -0.000 176.352 176.300 0.086 0.000 1.061 836 R CA -0.093 56.124 56.100 0.196 0.000 1.133 836 R CB 0.078 30.483 30.300 0.174 0.000 1.020 836 R HN 0.459 nan 8.270 nan 0.000 0.475 837 K N 0.669 121.115 120.400 0.076 0.000 2.581 837 K HA 0.291 4.614 4.320 0.005 0.000 0.249 837 K C -1.271 175.338 176.600 0.016 0.000 0.966 837 K CA -0.491 55.797 56.287 0.001 0.000 0.811 837 K CB 1.655 34.139 32.500 -0.026 0.000 1.223 837 K HN 0.605 nan 8.250 nan 0.000 0.438 838 K N 3.683 124.070 120.400 -0.021 0.000 2.248 838 K HA 0.446 4.769 4.320 0.005 0.000 0.281 838 K C -1.192 175.395 176.600 -0.021 0.000 1.054 838 K CA -0.707 55.577 56.287 -0.006 0.000 0.903 838 K CB 1.114 33.608 32.500 -0.009 0.000 1.077 838 K HN 0.426 nan 8.250 nan 0.000 0.474 839 V N 6.421 126.345 119.914 0.016 0.000 2.540 839 V HA 0.414 4.537 4.120 0.005 0.000 0.302 839 V C -0.350 175.748 176.094 0.008 0.000 1.035 839 V CA -0.856 61.466 62.300 0.036 0.000 0.873 839 V CB 1.719 33.614 31.823 0.121 0.000 0.992 839 V HN 0.668 nan 8.190 nan 0.000 0.428 840 I N 5.750 126.317 120.570 -0.005 0.000 2.354 840 I HA 0.490 4.663 4.170 0.005 0.000 0.292 840 I C -0.460 175.592 176.117 -0.108 0.000 0.989 840 I CA -0.264 61.008 61.300 -0.047 0.000 1.188 840 I CB 1.534 39.511 38.000 -0.038 0.000 1.342 840 I HN 0.407 nan 8.210 nan 0.000 0.457 841 I N 5.708 126.165 120.570 -0.188 0.000 2.339 841 I HA 0.363 4.535 4.170 0.005 0.000 0.290 841 I C 0.188 176.163 176.117 -0.236 0.000 0.994 841 I CA -0.386 60.702 61.300 -0.353 0.000 1.191 841 I CB 1.624 39.318 38.000 -0.509 0.000 1.343 841 I HN 0.568 nan 8.210 nan 0.000 0.458 842 T N 1.650 116.073 114.554 -0.218 0.000 2.912 842 T HA 0.741 5.094 4.350 0.005 0.000 0.288 842 T C -0.414 174.209 174.700 -0.128 0.000 1.030 842 T CA -0.875 61.142 62.100 -0.137 0.000 1.020 842 T CB 2.024 70.836 68.868 -0.093 0.000 1.056 842 T HN 0.563 nan 8.240 nan 0.000 0.480 843 S N 1.763 117.411 115.700 -0.086 0.000 2.602 843 S HA 0.430 4.903 4.470 0.005 0.000 0.301 843 S C -2.579 171.997 174.600 -0.039 0.000 1.091 843 S CA -0.906 57.258 58.200 -0.060 0.000 0.895 843 S CB 1.443 64.600 63.200 -0.071 0.000 1.090 843 S HN 0.484 nan 8.310 nan 0.000 0.449 844 P HA 0.033 nan 4.420 nan 0.000 0.220 844 P C 1.356 178.649 177.300 -0.011 0.000 1.148 844 P CA 1.228 64.322 63.100 -0.011 0.000 0.803 844 P CB -0.001 31.700 31.700 0.001 0.000 0.782 845 R N -0.191 120.301 120.500 -0.013 0.000 2.325 845 R HA 0.167 4.510 4.340 0.005 0.000 0.214 845 R C 0.820 177.107 176.300 -0.022 0.000 0.961 845 R CA 0.247 56.340 56.100 -0.012 0.000 1.086 845 R CB -1.610 28.686 30.300 -0.007 0.000 1.037 845 R HN 0.247 nan 8.270 nan 0.000 0.493 846 I N 2.117 122.669 120.570 -0.030 0.000 2.312 846 I HA 0.336 4.509 4.170 0.005 0.000 0.291 846 I C 0.555 176.658 176.117 -0.025 0.000 1.031 846 I CA -0.385 60.894 61.300 -0.035 0.000 1.293 846 I CB 1.550 39.519 38.000 -0.052 0.000 1.403 846 I HN 0.387 nan 8.210 nan 0.000 0.484 847 K N 6.922 127.310 120.400 -0.020 0.000 2.182 847 K HA 0.439 4.762 4.320 0.005 0.000 0.262 847 K C -0.202 176.390 176.600 -0.014 0.000 0.957 847 K CA -0.852 55.426 56.287 -0.014 0.000 0.842 847 K CB 1.322 33.816 32.500 -0.009 0.000 1.099 847 K HN 0.600 nan 8.250 nan 0.000 0.438 848 K N 0.913 121.306 120.400 -0.012 0.000 2.414 848 K HA 0.389 4.712 4.320 0.005 0.000 0.272 848 K C 0.957 177.552 176.600 -0.008 0.000 0.993 848 K CA 1.759 58.040 56.287 -0.010 0.000 0.964 848 K CB 0.162 32.657 32.500 -0.009 0.000 0.925 848 K HN 1.228 nan 8.250 nan 0.000 0.487 849 G N 1.279 110.074 108.800 -0.008 0.000 2.512 849 G HA2 -0.380 3.583 3.960 0.005 0.000 0.254 849 G HA3 -0.380 3.583 3.960 0.005 0.000 0.254 849 G C 0.154 175.049 174.900 -0.008 0.000 1.199 849 G CA 0.900 45.996 45.100 -0.007 0.000 0.941 849 G HN 1.202 nan 8.290 nan 0.000 0.569 850 E N -0.682 119.514 120.200 -0.007 0.000 1.948 850 E HA 0.258 4.611 4.350 0.005 0.000 0.176 850 E C 1.187 177.781 176.600 -0.009 0.000 1.347 850 E CA 2.401 58.796 56.400 -0.008 0.000 0.652 850 E CB -2.450 nan 29.700 nan 0.000 1.039 850 E HN 2.551 nan 8.360 nan 0.000 0.304 851 E N 0.211 120.407 120.200 -0.006 0.000 2.820 851 E HA 0.355 4.708 4.350 0.005 0.000 0.251 851 E C 0.508 177.105 176.600 -0.005 0.000 0.944 851 E CA 0.444 56.843 56.400 -0.001 0.000 0.955 851 E CB 0.302 nan 29.700 nan 0.000 0.904 851 E HN 1.658 nan 8.360 nan 0.000 0.513 852 L N 4.999 126.215 121.223 -0.012 0.000 2.477 852 L HA 0.343 4.686 4.340 0.005 0.000 0.272 852 L C -2.258 174.598 176.870 -0.023 0.000 1.157 852 L CA -1.517 53.305 54.840 -0.030 0.000 0.889 852 L CB 0.896 42.921 42.059 -0.057 0.000 1.158 852 L HN 0.359 nan 8.230 nan 0.000 0.473 853 P HA 0.193 nan 4.420 nan 0.000 0.268 853 P C -1.352 175.910 177.300 -0.065 0.000 1.204 853 P CA -0.044 63.038 63.100 -0.029 0.000 0.768 853 P CB 0.870 32.550 31.700 -0.032 0.000 0.842 854 V N 3.316 123.193 119.914 -0.063 0.000 2.623 854 V HA 0.397 4.520 4.120 0.005 0.000 0.304 854 V C -0.448 175.558 176.094 -0.148 0.000 1.054 854 V CA -0.509 61.695 62.300 -0.160 0.000 0.882 854 V CB 1.945 33.592 31.823 -0.292 0.000 1.002 854 V HN 0.480 nan 8.190 nan 0.000 0.424 855 N N 4.488 123.049 118.700 -0.232 0.000 2.442 855 N HA 0.553 5.296 4.740 0.005 0.000 0.274 855 N C -1.125 174.181 175.510 -0.340 0.000 1.002 855 N CA -0.388 52.525 53.050 -0.227 0.000 0.910 855 N CB 1.212 39.569 38.487 -0.216 0.000 1.244 855 N HN 0.642 nan 8.380 nan 0.000 0.492 856 I N 3.230 123.642 120.570 -0.263 0.000 2.312 856 I HA 0.277 4.450 4.170 0.005 0.000 0.290 856 I C 0.189 176.135 176.117 -0.286 0.000 1.008 856 I CA -0.577 60.542 61.300 -0.303 0.000 1.226 856 I CB 0.907 38.776 38.000 -0.218 0.000 1.371 856 I HN 0.286 nan 8.210 nan 0.000 0.468 857 K N 5.578 125.721 120.400 -0.429 0.000 2.156 857 K HA 0.679 5.002 4.320 0.005 0.000 0.250 857 K C -0.926 175.391 176.600 -0.471 0.000 0.955 857 K CA -0.839 55.114 56.287 -0.557 0.000 0.855 857 K CB 1.969 33.916 32.500 -0.923 0.000 1.101 857 K HN 0.682 nan 8.250 nan 0.000 0.434 858 H N -1.583 117.235 119.070 -0.421 0.000 3.017 858 H HA 0.300 4.859 4.556 0.005 0.000 0.346 858 H C 0.341 175.685 175.328 0.027 0.000 1.286 858 H CA -0.959 54.996 56.048 -0.154 0.000 1.120 858 H CB 0.437 30.103 29.762 -0.160 0.000 1.860 858 H HN 0.289 nan 8.280 nan 0.000 0.542 859 I N 0.199 120.883 120.570 0.190 0.000 2.163 859 I HA -0.169 4.003 4.170 0.005 0.000 0.243 859 I C 2.455 178.513 176.117 -0.098 0.000 1.085 859 I CA 1.456 62.848 61.300 0.155 0.000 1.347 859 I CB -0.804 37.289 38.000 0.155 0.000 1.044 859 I HN 0.729 nan 8.210 nan 0.000 0.408 860 R N 1.633 122.022 120.500 -0.184 0.000 2.127 860 R HA -0.184 4.159 4.340 0.005 0.000 0.238 860 R C 1.990 177.885 176.300 -0.675 0.000 1.134 860 R CA 1.414 57.226 56.100 -0.480 0.000 0.975 860 R CB -0.451 29.764 30.300 -0.143 0.000 0.865 860 R HN 0.433 nan 8.270 nan 0.000 0.447 861 E N -0.949 118.867 120.200 -0.640 0.000 2.333 861 E HA -0.131 4.222 4.350 0.005 0.000 0.198 861 E C 1.234 177.643 176.600 -0.318 0.000 1.007 861 E CA 1.517 57.622 56.400 -0.491 0.000 0.845 861 E CB -0.013 29.348 29.700 -0.565 0.000 0.766 861 E HN 0.616 nan 8.360 nan 0.000 0.507 862 T N -1.597 112.799 114.554 -0.262 0.000 3.113 862 T HA -0.050 4.303 4.350 0.005 0.000 0.256 862 T C 0.295 175.045 174.700 0.083 0.000 1.131 862 T CA 0.101 62.186 62.100 -0.026 0.000 1.074 862 T CB -0.307 68.639 68.868 0.131 0.000 0.944 862 T HN 0.238 nan 8.240 nan 0.000 0.516 863 Y N -1.261 119.037 120.300 -0.003 0.000 2.597 863 Y HA 0.795 5.348 4.550 0.005 0.000 0.340 863 Y C -0.469 175.433 175.900 0.003 0.000 1.097 863 Y CA -1.990 56.116 58.100 0.009 0.000 1.037 863 Y CB 1.298 39.770 38.460 0.019 0.000 1.305 863 Y HN -0.287 nan 8.280 nan 0.000 0.463 864 K N 0.000 120.522 120.400 0.203 0.000 2.780 864 K HA 0.000 4.323 4.320 0.005 0.000 0.191 864 K CA 0.000 56.355 56.287 0.114 0.000 0.838 864 K CB 0.000 32.545 32.500 0.075 0.000 1.064 864 K HN 0.000 nan 8.250 nan 0.000 0.543