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 2vjx_1_A DATA FIRST_RESID 28 DATA SEQUENCE NDTSEVMLLD TGWEFSQSGT EKWMPATVPG TVHQDLISHE LLPNPFYGMN DATA SEQUENCE EKKIQWVENE DWEYRTSFIV SEEQLNRDGI QLIFEGLDTY ADVYLNGSLL DATA SEQUENCE LKADNMFVGY TLPVKSVLRK GENHLYIYFH SPIRQTLPQY ASNGFNYPAD DATA SEQUENCE NDHHEKHLSV FSRKAPYSYG WDWGIRMVTS GVWRPVTLRF YDIATISDYY DATA SEQUENCE VRQLSLTDEN ARLSNELIVN QIVPQKIPAE VRVNVSLNGT TVTEVKQQVT DATA SEQUENCE LQPGINHITL PAEVTNPVRW MPNGWGTPTL YDFSAQIACG XRIVAEQSHR DATA SEQUENCE IGLRTIRVVN EKDKDGESFY FEVNGIPMFA KGANYIPQDA LLPNVTTERY DATA SEQUENCE QTLFRDMKEA NMNMVRIWGG GTYENNLFYD LADENGILVW QDFMFACTPY DATA SEQUENCE PSDPTFLKRV EAEAVYNIRR LRNHASLAMW CGNNEILEAL KYWGFEKKFT DATA SEQUENCE PEVYQGLMHG YDKLFRELLP STVKEFDSDR FYVHSSPYLA NWGRPESWGT DATA SEQUENCE GDSHNWGVWY GKKPFESLDT DLPRFMSEFG FQSFPEMKTI AAFAAPEDYQ DATA SEQUENCE IESEVMNAHQ KSSIGNSLIR TYMERDYIIP ESFEDFVYVG LVLQGQGMRH DATA SEQUENCE GLEAHRRNRP YCMGTLYWQL NDSWPVVSWS SIDYYGNWKA LHYQAKRAFA DATA SEQUENCE PVLINPIQQN DSLSVYLISD RLDTMEQMTL EMKVVDFDGK TLGKKIQVHS DATA SEQUENCE LEVPANTSKC VYRAKLDGWL TPEDCRRSFL KLILKDKSGH QVAESVHFFR DATA SEQUENCE KTKDLQLPPT SVSYQMKQTD GKCELTLFSS MLAKDIFIET PLQGARYSDN DATA SEQUENCE FFDLLPGERK KVIITSPRIK KGEELPVNIK HIRETYK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 28 N HA 0.000 nan 4.740 nan 0.000 0.220 28 N C 0.000 175.510 175.510 -0.000 0.000 1.280 28 N CA 0.000 53.050 53.050 0.001 0.000 0.885 28 N CB 0.000 38.484 38.487 -0.004 0.000 1.341 29 D N -0.852 119.553 120.400 0.007 0.000 2.752 29 D HA 0.348 4.991 4.640 0.005 0.000 0.313 29 D C 0.562 176.878 176.300 0.028 0.000 1.225 29 D CA 0.384 54.392 54.000 0.012 0.000 0.976 29 D CB 0.486 41.290 40.800 0.006 0.000 1.443 29 D HN -0.005 nan 8.370 nan 0.000 0.515 30 T N -2.623 111.955 114.554 0.039 0.000 3.160 30 T HA 0.130 4.483 4.350 0.005 0.000 0.257 30 T C 0.827 175.574 174.700 0.078 0.000 1.147 30 T CA 0.368 62.498 62.100 0.050 0.000 1.064 30 T CB -0.881 68.016 68.868 0.048 0.000 0.949 30 T HN 0.568 nan 8.240 nan 0.000 0.526 31 S N 0.706 116.463 115.700 0.096 0.000 2.593 31 S HA 0.247 4.720 4.470 0.005 0.000 0.269 31 S C -0.209 174.467 174.600 0.127 0.000 1.334 31 S CA -0.899 57.389 58.200 0.146 0.000 1.015 31 S CB 1.043 64.330 63.200 0.145 0.000 0.912 31 S HN 0.648 nan 8.310 nan 0.000 0.541 32 E N 0.997 121.307 120.200 0.183 0.000 2.176 32 E HA 0.530 4.883 4.350 0.005 0.000 0.267 32 E C -1.576 175.174 176.600 0.250 0.000 0.893 32 E CA -0.970 55.530 56.400 0.168 0.000 0.761 32 E CB 1.546 31.312 29.700 0.110 0.000 1.133 32 E HN 0.548 nan 8.360 nan 0.000 0.409 33 V N 5.462 125.471 119.914 0.158 0.000 2.459 33 V HA 0.369 4.492 4.120 0.005 0.000 0.295 33 V C -0.066 176.106 176.094 0.131 0.000 1.029 33 V CA -0.658 61.724 62.300 0.137 0.000 0.874 33 V CB 1.433 33.293 31.823 0.062 0.000 0.985 33 V HN 0.838 nan 8.190 nan 0.000 0.438 34 M N 5.032 124.722 119.600 0.150 0.000 2.101 34 M HA 0.510 4.993 4.480 0.005 0.000 0.340 34 M C -1.271 175.036 176.300 0.012 0.000 1.057 34 M CA -0.754 54.608 55.300 0.104 0.000 0.984 34 M CB 1.142 33.863 32.600 0.202 0.000 1.560 34 M HN 0.493 nan 8.290 nan 0.000 0.435 35 L N 5.872 127.106 121.223 0.018 0.000 2.313 35 L HA 0.245 4.588 4.340 0.005 0.000 0.282 35 L C -0.489 176.397 176.870 0.028 0.000 1.092 35 L CA 0.534 55.384 54.840 0.015 0.000 0.831 35 L CB 0.699 42.780 42.059 0.037 0.000 1.159 35 L HN 0.662 nan 8.230 nan 0.000 0.442 36 L N 4.894 126.137 121.223 0.035 0.000 2.466 36 L HA 0.225 4.568 4.340 0.005 0.000 0.248 36 L C -0.012 177.099 176.870 0.401 0.000 1.240 36 L CA -0.142 54.776 54.840 0.129 0.000 1.180 36 L CB -0.254 41.834 42.059 0.049 0.000 1.413 36 L HN 0.680 nan 8.230 nan 0.000 0.406 37 D N -1.205 119.377 120.400 0.303 0.000 2.513 37 D HA 0.074 4.717 4.640 0.005 0.000 0.222 37 D C 0.306 176.808 176.300 0.336 0.000 1.210 37 D CA -0.077 54.107 54.000 0.306 0.000 0.825 37 D CB 0.514 41.403 40.800 0.149 0.000 1.037 37 D HN 0.296 nan 8.370 nan 0.000 0.506 38 T N -5.083 109.683 114.554 0.353 0.000 2.864 38 T HA 0.557 4.910 4.350 0.005 0.000 0.299 38 T C 0.892 175.731 174.700 0.232 0.000 1.166 38 T CA -0.410 61.865 62.100 0.292 0.000 1.007 38 T CB 1.633 70.603 68.868 0.171 0.000 1.219 38 T HN 0.366 nan 8.240 nan 0.000 0.506 39 G N -0.346 108.579 108.800 0.209 0.000 2.143 39 G HA2 -0.207 3.756 3.960 0.005 0.000 0.248 39 G HA3 -0.207 3.756 3.960 0.005 0.000 0.248 39 G C -0.221 174.746 174.900 0.113 0.000 0.991 39 G CA -0.153 45.016 45.100 0.116 0.000 0.689 39 G HN 0.778 nan 8.290 nan 0.000 0.522 40 W N 0.593 122.003 121.300 0.184 0.000 2.251 40 W HA 0.660 5.323 4.660 0.005 0.000 0.329 40 W C 0.766 177.448 176.519 0.271 0.000 1.234 40 W CA -0.363 57.127 57.345 0.241 0.000 1.228 40 W CB 0.707 30.354 29.460 0.312 0.000 1.135 40 W HN 0.186 nan 8.180 nan 0.000 0.576 41 E N 1.675 122.213 120.200 0.563 0.000 2.369 41 E HA 0.565 4.918 4.350 0.005 0.000 0.270 41 E C -1.280 175.710 176.600 0.649 0.000 0.909 41 E CA -1.121 55.601 56.400 0.536 0.000 0.775 41 E CB 2.360 32.281 29.700 0.368 0.000 1.270 41 E HN 0.340 nan 8.360 nan 0.000 0.445 42 F N -1.034 119.060 119.950 0.239 0.000 2.620 42 F HA 0.835 5.365 4.527 0.005 0.000 0.320 42 F C -0.818 174.841 175.800 -0.234 0.000 1.069 42 F CA -0.804 57.089 58.000 -0.179 0.000 0.953 42 F CB 2.158 40.676 39.000 -0.803 0.000 1.322 42 F HN 0.340 nan 8.300 nan 0.000 0.479 43 S N 1.259 116.509 115.700 -0.750 0.000 2.566 43 S HA 0.206 4.679 4.470 0.005 0.000 0.273 43 S C -1.566 172.735 174.600 -0.499 0.000 1.157 43 S CA -0.692 56.910 58.200 -0.996 0.000 0.938 43 S CB 1.615 63.699 63.200 -1.860 0.000 1.087 43 S HN 0.994 nan 8.310 nan 0.000 0.474 44 Q N 3.088 122.616 119.800 -0.455 0.000 2.255 44 Q HA 0.203 4.545 4.340 0.005 0.000 0.280 44 Q C -0.418 175.217 176.000 -0.608 0.000 1.068 44 Q CA 0.136 55.463 55.803 -0.794 0.000 0.911 44 Q CB 0.350 28.678 28.738 -0.684 0.000 1.157 44 Q HN 0.690 nan 8.270 nan 0.000 0.380 45 S N 2.874 118.219 115.700 -0.592 0.000 2.552 45 S HA 0.244 4.717 4.470 0.005 0.000 0.289 45 S C 1.035 175.488 174.600 -0.246 0.000 1.304 45 S CA 0.446 58.438 58.200 -0.347 0.000 1.063 45 S CB 0.726 63.776 63.200 -0.250 0.000 0.848 45 S HN 1.021 nan 8.310 nan 0.000 0.499 46 G N 1.917 110.625 108.800 -0.153 0.000 2.217 46 G HA2 -0.324 3.639 3.960 0.005 0.000 0.246 46 G HA3 -0.324 3.639 3.960 0.005 0.000 0.246 46 G C 0.875 175.697 174.900 -0.130 0.000 0.990 46 G CA 0.773 45.809 45.100 -0.107 0.000 0.627 46 G HN 0.959 nan 8.290 nan 0.000 0.522 47 T N -1.830 112.605 114.554 -0.200 0.000 3.051 47 T HA 0.336 4.689 4.350 0.005 0.000 0.255 47 T C 1.248 175.855 174.700 -0.156 0.000 1.085 47 T CA 1.276 63.265 62.100 -0.185 0.000 1.109 47 T CB -0.042 68.684 68.868 -0.237 0.000 0.921 47 T HN 0.796 nan 8.240 nan 0.000 0.488 48 E N 0.134 120.227 120.200 -0.177 0.000 3.547 48 E HA -0.207 4.146 4.350 0.005 0.000 0.300 48 E C 0.041 176.589 176.600 -0.087 0.000 0.857 48 E CA 1.025 57.386 56.400 -0.066 0.000 1.039 48 E CB -1.744 27.976 29.700 0.033 0.000 1.524 48 E HN 0.754 nan 8.360 nan 0.000 0.457 49 K N 0.403 120.640 120.400 -0.272 0.000 2.240 49 K HA 0.361 4.684 4.320 0.005 0.000 0.271 49 K C -0.933 175.432 176.600 -0.392 0.000 1.018 49 K CA -0.470 55.696 56.287 -0.202 0.000 0.874 49 K CB 0.694 33.089 32.500 -0.175 0.000 1.098 49 K HN -0.075 nan 8.250 nan 0.000 0.458 50 W N 5.237 126.454 121.300 -0.139 0.000 2.606 50 W HA 0.479 5.141 4.660 0.005 0.000 0.332 50 W C -0.310 176.100 176.519 -0.181 0.000 1.052 50 W CA -0.775 56.469 57.345 -0.167 0.000 1.223 50 W CB 1.544 30.961 29.460 -0.071 0.000 1.383 50 W HN 0.257 nan 8.180 nan 0.000 0.524 51 M N 2.626 122.226 119.600 0.000 0.000 2.593 51 M HA 0.402 4.885 4.480 0.005 0.000 0.290 51 M C -2.708 173.774 176.300 0.302 0.000 1.244 51 M CA -2.230 53.064 55.300 -0.011 0.000 0.857 51 M CB 1.575 33.962 32.600 -0.356 0.000 1.738 51 M HN -0.045 nan 8.290 nan 0.000 0.461 52 P HA 0.175 nan 4.420 nan 0.000 0.264 52 P C -1.105 176.559 177.300 0.608 0.000 1.183 52 P CA 0.294 63.666 63.100 0.454 0.000 0.763 52 P CB 0.495 32.434 31.700 0.398 0.000 0.807 53 A N 2.629 125.747 122.820 0.497 0.000 2.387 53 A HA 0.790 5.113 4.320 0.005 0.000 0.303 53 A C -0.678 177.064 177.584 0.264 0.000 1.145 53 A CA -0.382 51.867 52.037 0.353 0.000 0.801 53 A CB 1.083 20.343 19.000 0.434 0.000 1.342 53 A HN 0.392 nan 8.150 nan 0.000 0.440 54 T N 0.822 115.445 114.554 0.115 0.000 2.786 54 T HA 0.573 4.926 4.350 0.005 0.000 0.283 54 T C -1.029 173.640 174.700 -0.051 0.000 0.992 54 T CA -0.239 61.898 62.100 0.062 0.000 0.954 54 T CB 1.022 69.902 68.868 0.020 0.000 0.934 54 T HN 0.535 nan 8.240 nan 0.000 0.440 55 V N 5.870 125.725 119.914 -0.098 0.000 2.638 55 V HA 0.443 4.566 4.120 0.005 0.000 0.306 55 V C -2.262 173.746 176.094 -0.143 0.000 1.052 55 V CA -2.164 59.952 62.300 -0.306 0.000 0.885 55 V CB 1.992 33.253 31.823 -0.938 0.000 0.999 55 V HN 0.668 nan 8.190 nan 0.000 0.424 56 P HA 0.496 nan 4.420 nan 0.000 0.269 56 P C 0.186 177.414 177.300 -0.119 0.000 1.215 56 P CA 0.426 63.439 63.100 -0.144 0.000 0.780 56 P CB 0.828 32.483 31.700 -0.076 0.000 0.898 57 G N -0.055 108.654 108.800 -0.152 0.000 2.348 57 G HA2 0.584 4.547 3.960 0.005 0.000 0.296 57 G HA3 0.584 4.547 3.960 0.005 0.000 0.296 57 G C -1.532 173.249 174.900 -0.199 0.000 1.258 57 G CA -0.283 44.734 45.100 -0.137 0.000 0.868 57 G HN 0.678 nan 8.290 nan 0.000 0.488 58 T N -2.634 111.787 114.554 -0.222 0.000 2.900 58 T HA 0.556 4.909 4.350 0.005 0.000 0.303 58 T C 1.007 175.508 174.700 -0.331 0.000 1.142 58 T CA 0.122 62.062 62.100 -0.266 0.000 1.007 58 T CB 1.585 70.350 68.868 -0.171 0.000 1.156 58 T HN 0.841 nan 8.240 nan 0.000 0.490 59 V N 1.111 120.776 119.914 -0.415 0.000 2.282 59 V HA -0.229 3.894 4.120 0.005 0.000 0.249 59 V C 2.451 178.151 176.094 -0.656 0.000 1.057 59 V CA 2.242 64.153 62.300 -0.647 0.000 1.032 59 V CB -1.160 30.053 31.823 -1.016 0.000 0.645 59 V HN 0.977 nan 8.190 nan 0.000 0.447 60 H N -0.790 117.976 119.070 -0.507 0.000 2.353 60 H HA -0.168 4.391 4.556 0.005 0.000 0.300 60 H C 2.292 177.441 175.328 -0.300 0.000 1.090 60 H CA 1.887 57.696 56.048 -0.398 0.000 1.327 60 H CB -0.219 29.340 29.762 -0.338 0.000 1.383 60 H HN 0.359 nan 8.280 nan 0.000 0.508 61 Q N 0.803 120.512 119.800 -0.152 0.000 2.084 61 Q HA -0.141 4.202 4.340 0.005 0.000 0.202 61 Q C 1.392 177.277 176.000 -0.191 0.000 0.978 61 Q CA 1.759 57.475 55.803 -0.146 0.000 0.844 61 Q CB -0.213 28.456 28.738 -0.115 0.000 0.898 61 Q HN 0.420 nan 8.270 nan 0.000 0.426 62 D N -0.335 119.869 120.400 -0.326 0.000 2.123 62 D HA -0.158 4.485 4.640 0.005 0.000 0.196 62 D C 1.911 178.111 176.300 -0.168 0.000 0.992 62 D CA 1.198 54.928 54.000 -0.450 0.000 0.833 62 D CB -0.152 39.950 40.800 -1.162 0.000 0.954 62 D HN 0.311 nan 8.370 nan 0.000 0.455 63 L N 0.346 121.485 121.223 -0.141 0.000 2.027 63 L HA -0.120 4.223 4.340 0.005 0.000 0.206 63 L C 2.590 179.527 176.870 0.110 0.000 1.074 63 L CA 0.657 55.582 54.840 0.141 0.000 0.745 63 L CB -0.349 41.727 42.059 0.028 0.000 0.898 63 L HN -0.018 nan 8.230 nan 0.000 0.433 64 I N 0.014 120.584 120.570 0.000 0.000 2.194 64 I HA -0.359 3.814 4.170 0.005 0.000 0.246 64 I C 2.767 178.879 176.117 -0.008 0.000 1.093 64 I CA 1.791 63.093 61.300 0.004 0.000 1.355 64 I CB -0.428 37.548 38.000 -0.040 0.000 1.046 64 I HN 0.376 nan 8.210 nan 0.000 0.413 65 S N -0.434 115.219 115.700 -0.078 0.000 2.442 65 S HA -0.198 4.275 4.470 0.005 0.000 0.236 65 S C 1.598 176.038 174.600 -0.267 0.000 1.007 65 S CA 1.087 59.179 58.200 -0.180 0.000 0.965 65 S CB -0.479 62.561 63.200 -0.266 0.000 0.773 65 S HN 0.502 nan 8.310 nan 0.000 0.504 66 H N 1.217 120.353 119.070 0.110 0.000 2.542 66 H HA 0.315 4.874 4.556 0.005 0.000 0.283 66 H C 0.072 175.467 175.328 0.112 0.000 1.059 66 H CA 0.415 56.542 56.048 0.132 0.000 1.162 66 H CB -0.082 29.796 29.762 0.193 0.000 1.539 66 H HN 0.586 nan 8.280 nan 0.000 0.543 67 E N 0.483 120.780 120.200 0.162 0.000 2.722 67 E HA -0.217 4.136 4.350 0.005 0.000 0.265 67 E C 0.512 177.210 176.600 0.163 0.000 1.081 67 E CA 0.251 56.732 56.400 0.134 0.000 0.781 67 E CB -1.636 28.129 29.700 0.108 0.000 1.372 67 E HN 0.468 nan 8.360 nan 0.000 0.423 68 L N -0.204 121.146 121.223 0.212 0.000 2.607 68 L HA 0.271 4.614 4.340 0.005 0.000 0.228 68 L C 0.859 177.904 176.870 0.291 0.000 1.123 68 L CA 0.377 55.365 54.840 0.246 0.000 0.890 68 L CB 0.311 42.553 42.059 0.306 0.000 1.103 68 L HN 0.106 nan 8.230 nan 0.000 0.468 69 L N -0.030 121.323 121.223 0.217 0.000 2.409 69 L HA 0.500 4.843 4.340 0.005 0.000 0.262 69 L C -2.307 174.654 176.870 0.151 0.000 0.992 69 L CA -1.701 53.267 54.840 0.213 0.000 0.817 69 L CB 3.011 45.146 42.059 0.127 0.000 1.350 69 L HN -0.202 nan 8.230 nan 0.000 0.411 70 P HA 0.056 nan 4.420 nan 0.000 0.274 70 P C -0.925 176.446 177.300 0.117 0.000 1.256 70 P CA -0.509 62.672 63.100 0.136 0.000 0.795 70 P CB 0.473 32.273 31.700 0.166 0.000 1.038 71 N N 2.014 120.787 118.700 0.122 0.000 2.429 71 N HA -0.012 4.731 4.740 0.005 0.000 0.271 71 N C -1.404 174.203 175.510 0.161 0.000 1.272 71 N CA -1.524 51.592 53.050 0.111 0.000 0.921 71 N CB -0.081 38.505 38.487 0.165 0.000 1.128 71 N HN 0.176 nan 8.380 nan 0.000 0.481 72 P HA -0.082 nan 4.420 nan 0.000 0.222 72 P C 0.652 178.172 177.300 0.367 0.000 1.147 72 P CA 1.042 64.201 63.100 0.099 0.000 0.790 72 P CB 0.001 31.661 31.700 -0.068 0.000 0.780 73 F N -2.488 117.633 119.950 0.285 0.000 2.789 73 F HA 0.157 4.687 4.527 0.005 0.000 0.300 73 F C 1.170 177.293 175.800 0.538 0.000 1.132 73 F CA -1.219 57.050 58.000 0.450 0.000 1.404 73 F CB -1.476 37.748 39.000 0.373 0.000 1.114 73 F HN -0.111 nan 8.300 nan 0.000 0.584 74 Y N 0.808 121.417 120.300 0.515 0.000 2.316 74 Y HA 0.472 5.025 4.550 0.005 0.000 0.331 74 Y C 1.213 177.374 175.900 0.436 0.000 1.083 74 Y CA 0.235 58.598 58.100 0.439 0.000 1.206 74 Y CB 0.427 39.067 38.460 0.299 0.000 1.195 74 Y HN 0.301 nan 8.280 nan 0.000 0.497 75 G N 4.808 113.444 108.800 -0.273 0.000 2.622 75 G HA2 -0.334 3.629 3.960 0.005 0.000 0.307 75 G HA3 -0.334 3.629 3.960 0.005 0.000 0.307 75 G C 0.499 175.552 174.900 0.254 0.000 1.226 75 G CA 0.699 45.750 45.100 -0.081 0.000 0.997 75 G HN 0.581 nan 8.290 nan 0.000 0.551 76 M N 2.127 121.855 119.600 0.213 0.000 2.493 76 M HA 0.210 4.693 4.480 0.005 0.000 0.244 76 M C 1.602 178.012 176.300 0.183 0.000 1.182 76 M CA -0.067 55.344 55.300 0.184 0.000 0.981 76 M CB -0.464 32.222 32.600 0.145 0.000 1.551 76 M HN 0.414 nan 8.290 nan 0.000 0.476 77 N N 0.957 119.796 118.700 0.232 0.000 2.512 77 N HA -0.125 4.618 4.740 0.005 0.000 0.183 77 N C 1.537 177.142 175.510 0.158 0.000 1.073 77 N CA 0.555 53.734 53.050 0.215 0.000 0.911 77 N CB 0.006 38.652 38.487 0.266 0.000 0.964 77 N HN 0.521 nan 8.380 nan 0.000 0.447 78 E N 1.369 121.641 120.200 0.120 0.000 2.070 78 E HA -0.215 4.138 4.350 0.005 0.000 0.197 78 E C 1.723 178.356 176.600 0.054 0.000 1.004 78 E CA 1.244 57.669 56.400 0.041 0.000 0.805 78 E CB 0.072 29.754 29.700 -0.030 0.000 0.744 78 E HN 0.200 nan 8.360 nan 0.000 0.451 79 K N 0.317 120.762 120.400 0.074 0.000 2.147 79 K HA -0.132 4.191 4.320 0.005 0.000 0.205 79 K C 1.854 178.531 176.600 0.129 0.000 1.049 79 K CA 1.151 57.488 56.287 0.084 0.000 0.936 79 K CB 0.111 32.656 32.500 0.075 0.000 0.722 79 K HN 0.002 nan 8.250 nan 0.000 0.446 80 K N 0.452 120.944 120.400 0.154 0.000 2.432 80 K HA -0.032 4.291 4.320 0.005 0.000 0.196 80 K C 1.656 178.440 176.600 0.306 0.000 1.038 80 K CA 0.844 57.261 56.287 0.217 0.000 0.986 80 K CB 0.160 32.779 32.500 0.198 0.000 0.782 80 K HN 0.389 nan 8.250 nan 0.000 0.485 81 I N -3.049 117.634 120.570 0.188 0.000 4.082 81 I HA 0.069 4.242 4.170 0.005 0.000 0.337 81 I C 1.222 177.287 176.117 -0.088 0.000 1.352 81 I CA -0.234 61.099 61.300 0.056 0.000 1.097 81 I CB 0.388 38.412 38.000 0.040 0.000 1.048 81 I HN -0.211 nan 8.210 nan 0.000 0.393 82 Q N 1.911 121.743 119.800 0.052 0.000 2.291 82 Q HA -0.147 4.196 4.340 0.005 0.000 0.206 82 Q C 1.859 177.906 176.000 0.078 0.000 0.976 82 Q CA 1.918 57.752 55.803 0.052 0.000 0.875 82 Q CB -0.543 28.252 28.738 0.096 0.000 0.927 82 Q HN 0.930 nan 8.270 nan 0.000 0.450 83 W N 0.235 121.598 121.300 0.106 0.000 2.350 83 W HA -0.134 4.529 4.660 0.005 0.000 0.289 83 W C 1.389 178.000 176.519 0.154 0.000 1.215 83 W CA 0.751 58.162 57.345 0.110 0.000 1.236 83 W CB -1.124 28.391 29.460 0.091 0.000 1.130 83 W HN -0.112 nan 8.180 nan 0.000 0.541 84 V N 2.872 122.387 119.914 -0.664 0.000 2.324 84 V HA -0.374 3.749 4.120 0.005 0.000 0.250 84 V C 2.728 178.850 176.094 0.048 0.000 1.060 84 V CA 2.917 64.874 62.300 -0.572 0.000 1.042 84 V CB -1.277 29.909 31.823 -1.063 0.000 0.650 84 V HN 0.372 nan 8.190 nan 0.000 0.450 85 E N 0.596 120.815 120.200 0.032 0.000 2.333 85 E HA -0.244 4.109 4.350 0.005 0.000 0.198 85 E C 1.508 178.204 176.600 0.160 0.000 1.007 85 E CA 1.873 58.336 56.400 0.106 0.000 0.845 85 E CB -0.539 29.190 29.700 0.049 0.000 0.766 85 E HN 0.788 nan 8.360 nan 0.000 0.507 86 N N 0.145 118.954 118.700 0.182 0.000 2.353 86 N HA 0.018 4.761 4.740 0.005 0.000 0.185 86 N C -0.258 175.333 175.510 0.135 0.000 1.098 86 N CA -0.082 53.068 53.050 0.167 0.000 0.872 86 N CB 0.407 39.001 38.487 0.178 0.000 0.970 86 N HN 0.091 nan 8.380 nan 0.000 0.467 87 E N 0.954 121.236 120.200 0.137 0.000 2.250 87 E HA 0.189 4.542 4.350 0.005 0.000 0.269 87 E C -0.747 175.722 176.600 -0.218 0.000 1.018 87 E CA -0.251 56.081 56.400 -0.113 0.000 0.873 87 E CB 0.961 30.457 29.700 -0.341 0.000 1.134 87 E HN 0.062 nan 8.360 nan 0.000 0.403 88 D N 0.457 120.642 120.400 -0.358 0.000 2.294 88 D HA 0.389 5.032 4.640 0.005 0.000 0.250 88 D C -0.562 175.297 176.300 -0.735 0.000 1.058 88 D CA -0.071 53.730 54.000 -0.331 0.000 0.950 88 D CB 0.645 41.316 40.800 -0.215 0.000 1.158 88 D HN 0.224 nan 8.370 nan 0.000 0.453 89 W N 0.330 121.534 121.300 -0.161 0.000 2.957 89 W HA 0.325 4.988 4.660 0.005 0.000 0.336 89 W C -0.059 176.465 176.519 0.009 0.000 1.087 89 W CA -0.723 56.593 57.345 -0.049 0.000 1.235 89 W CB 1.445 30.976 29.460 0.119 0.000 1.399 89 W HN 0.042 nan 8.180 nan 0.000 0.480 90 E N 1.929 122.216 120.200 0.144 0.000 2.195 90 E HA 0.471 4.824 4.350 0.005 0.000 0.271 90 E C -1.540 175.300 176.600 0.399 0.000 0.923 90 E CA -1.167 55.403 56.400 0.284 0.000 0.790 90 E CB 2.357 32.164 29.700 0.180 0.000 1.155 90 E HN 0.356 nan 8.360 nan 0.000 0.402 91 Y N 1.026 121.746 120.300 0.699 0.000 2.446 91 Y HA 0.434 4.987 4.550 0.005 0.000 0.345 91 Y C 0.023 176.312 175.900 0.649 0.000 0.984 91 Y CA -0.902 57.671 58.100 0.788 0.000 1.058 91 Y CB 1.967 40.885 38.460 0.763 0.000 1.220 91 Y HN 0.460 nan 8.280 nan 0.000 0.455 92 R N 0.591 121.424 120.500 0.555 0.000 2.668 92 R HA 0.859 5.202 4.340 0.005 0.000 0.272 92 R C -1.781 174.393 176.300 -0.211 0.000 1.019 92 R CA -0.766 55.241 56.100 -0.155 0.000 0.894 92 R CB 2.357 31.955 30.300 -1.169 0.000 1.228 92 R HN 0.623 nan 8.270 nan 0.000 0.460 93 T N 0.260 114.515 114.554 -0.499 0.000 2.843 93 T HA 0.555 4.908 4.350 0.005 0.000 0.302 93 T C -1.566 172.992 174.700 -0.237 0.000 1.232 93 T CA -0.452 61.316 62.100 -0.554 0.000 1.009 93 T CB 1.705 69.792 68.868 -1.301 0.000 1.254 93 T HN 0.822 nan 8.240 nan 0.000 0.504 94 S N 2.054 117.677 115.700 -0.128 0.000 2.536 94 S HA 0.905 5.377 4.470 0.005 0.000 0.287 94 S C -1.060 173.538 174.600 -0.004 0.000 1.101 94 S CA -0.810 57.337 58.200 -0.089 0.000 0.950 94 S CB 1.166 64.352 63.200 -0.024 0.000 1.056 94 S HN 0.840 nan 8.310 nan 0.000 0.481 95 F N 0.156 120.024 119.950 -0.137 0.000 2.643 95 F HA 0.786 5.316 4.527 0.005 0.000 0.314 95 F C -1.401 174.355 175.800 -0.073 0.000 1.096 95 F CA -1.560 56.390 58.000 -0.083 0.000 0.953 95 F CB 0.887 39.858 39.000 -0.049 0.000 1.345 95 F HN 0.389 nan 8.300 nan 0.000 0.468 96 I N 2.984 123.638 120.570 0.139 0.000 2.392 96 I HA 0.527 4.700 4.170 0.005 0.000 0.295 96 I C -0.500 175.704 176.117 0.144 0.000 0.985 96 I CA -0.942 60.380 61.300 0.035 0.000 1.221 96 I CB 1.555 39.567 38.000 0.020 0.000 1.366 96 I HN 0.509 nan 8.210 nan 0.000 0.467 97 V N 5.124 125.081 119.914 0.073 0.000 2.604 97 V HA 0.397 4.520 4.120 0.005 0.000 0.305 97 V C 0.316 176.417 176.094 0.011 0.000 1.043 97 V CA -0.591 61.770 62.300 0.102 0.000 0.888 97 V CB 2.140 34.095 31.823 0.219 0.000 0.995 97 V HN 0.933 nan 8.190 nan 0.000 0.429 98 S N 2.396 118.072 115.700 -0.039 0.000 2.669 98 S HA 0.329 4.802 4.470 0.005 0.000 0.270 98 S C 0.961 175.542 174.600 -0.032 0.000 1.225 98 S CA -0.245 57.927 58.200 -0.046 0.000 0.991 98 S CB 1.396 64.552 63.200 -0.075 0.000 0.987 98 S HN 0.806 nan 8.310 nan 0.000 0.552 99 E N 0.420 120.604 120.200 -0.025 0.000 2.118 99 E HA -0.222 4.131 4.350 0.005 0.000 0.195 99 E C 1.388 177.976 176.600 -0.020 0.000 0.992 99 E CA 1.623 58.014 56.400 -0.015 0.000 0.804 99 E CB -0.105 29.586 29.700 -0.015 0.000 0.741 99 E HN 0.764 nan 8.360 nan 0.000 0.458 100 E N 0.420 120.596 120.200 -0.040 0.000 2.072 100 E HA -0.168 4.185 4.350 0.005 0.000 0.191 100 E C 2.061 178.626 176.600 -0.058 0.000 0.985 100 E CA 1.078 57.450 56.400 -0.046 0.000 0.801 100 E CB -0.137 29.529 29.700 -0.057 0.000 0.750 100 E HN 0.304 nan 8.360 nan 0.000 0.452 101 Q N -0.204 119.528 119.800 -0.114 0.000 2.084 101 Q HA -0.100 4.243 4.340 0.005 0.000 0.202 101 Q C 1.957 178.001 176.000 0.073 0.000 0.978 101 Q CA 0.816 56.519 55.803 -0.166 0.000 0.844 101 Q CB -0.158 28.251 28.738 -0.548 0.000 0.898 101 Q HN 0.158 nan 8.270 nan 0.000 0.426 102 L N 1.243 122.509 121.223 0.072 0.000 2.353 102 L HA -0.122 4.221 4.340 0.005 0.000 0.220 102 L C 1.238 178.142 176.870 0.056 0.000 1.133 102 L CA 1.419 56.318 54.840 0.099 0.000 0.798 102 L CB -0.261 41.837 42.059 0.066 0.000 0.922 102 L HN 0.203 nan 8.230 nan 0.000 0.445 103 N N -0.698 118.019 118.700 0.030 0.000 2.398 103 N HA 0.019 4.762 4.740 0.005 0.000 0.188 103 N C 0.151 175.664 175.510 0.004 0.000 1.122 103 N CA 0.024 53.081 53.050 0.011 0.000 0.866 103 N CB 0.269 38.756 38.487 -0.000 0.000 0.970 103 N HN 0.239 nan 8.380 nan 0.000 0.462 104 R N 1.176 121.689 120.500 0.022 0.000 2.738 104 R HA 0.032 4.375 4.340 0.005 0.000 0.268 104 R C 0.786 177.039 176.300 -0.079 0.000 1.062 104 R CA -0.135 55.960 56.100 -0.007 0.000 1.158 104 R CB 0.363 30.694 30.300 0.052 0.000 1.046 104 R HN 0.046 nan 8.270 nan 0.000 0.493 105 D N 0.105 120.419 120.400 -0.144 0.000 2.144 105 D HA -0.013 4.630 4.640 0.005 0.000 0.199 105 D C 0.846 176.975 176.300 -0.285 0.000 0.984 105 D CA 1.408 55.304 54.000 -0.173 0.000 0.834 105 D CB 0.157 40.866 40.800 -0.151 0.000 0.955 105 D HN 0.645 nan 8.370 nan 0.000 0.465 106 G N -0.629 107.828 108.800 -0.572 0.000 2.696 106 G HA2 0.629 4.592 3.960 0.005 0.000 0.295 106 G HA3 0.629 4.592 3.960 0.005 0.000 0.295 106 G C -1.344 173.178 174.900 -0.630 0.000 1.398 106 G CA -0.600 44.068 45.100 -0.720 0.000 0.920 106 G HN 0.017 nan 8.290 nan 0.000 0.492 107 I N 0.568 120.985 120.570 -0.254 0.000 2.548 107 I HA 0.327 4.500 4.170 0.005 0.000 0.287 107 I C -0.788 175.283 176.117 -0.077 0.000 1.103 107 I CA -0.592 60.583 61.300 -0.208 0.000 1.049 107 I CB 2.493 40.326 38.000 -0.278 0.000 1.232 107 I HN 0.326 nan 8.210 nan 0.000 0.429 108 Q N 4.871 124.641 119.800 -0.050 0.000 2.333 108 Q HA 0.588 4.931 4.340 0.005 0.000 0.267 108 Q C -1.319 174.609 176.000 -0.118 0.000 1.012 108 Q CA -0.993 54.802 55.803 -0.014 0.000 0.824 108 Q CB 3.488 32.250 28.738 0.040 0.000 1.290 108 Q HN 0.427 nan 8.270 nan 0.000 0.449 109 L N 3.810 124.983 121.223 -0.085 0.000 2.275 109 L HA 0.540 4.883 4.340 0.005 0.000 0.288 109 L C -1.425 175.363 176.870 -0.136 0.000 1.046 109 L CA -0.038 54.708 54.840 -0.157 0.000 0.805 109 L CB 0.863 42.863 42.059 -0.098 0.000 1.193 109 L HN 0.566 nan 8.230 nan 0.000 0.426 110 I N 5.562 125.982 120.570 -0.250 0.000 2.418 110 I HA 0.330 4.503 4.170 0.005 0.000 0.287 110 I C -1.158 174.805 176.117 -0.257 0.000 1.008 110 I CA -0.237 60.987 61.300 -0.126 0.000 1.104 110 I CB 1.372 39.328 38.000 -0.073 0.000 1.264 110 I HN 0.420 nan 8.210 nan 0.000 0.438 111 F N 4.731 124.731 119.950 0.083 0.000 2.361 111 F HA 0.330 4.860 4.527 0.005 0.000 0.364 111 F C 1.347 177.164 175.800 0.029 0.000 1.117 111 F CA -0.436 57.615 58.000 0.085 0.000 1.071 111 F CB 1.245 40.343 39.000 0.163 0.000 1.188 111 F HN 0.498 nan 8.300 nan 0.000 0.464 112 E N 2.117 122.374 120.200 0.095 0.000 2.418 112 E HA 0.154 4.507 4.350 0.005 0.000 0.197 112 E C 0.710 177.233 176.600 -0.128 0.000 1.026 112 E CA 0.210 56.597 56.400 -0.021 0.000 0.862 112 E CB 0.306 29.964 29.700 -0.071 0.000 0.799 112 E HN 0.736 nan 8.360 nan 0.000 0.518 113 G N 0.703 109.468 108.800 -0.058 0.000 2.524 113 G HA2 0.420 4.383 3.960 0.005 0.000 0.306 113 G HA3 0.420 4.383 3.960 0.005 0.000 0.306 113 G C -1.495 173.557 174.900 0.254 0.000 1.420 113 G CA -0.811 44.234 45.100 -0.091 0.000 1.086 113 G HN -0.037 nan 8.290 nan 0.000 0.591 114 L N 2.243 123.737 121.223 0.451 0.000 2.376 114 L HA 0.478 4.821 4.340 0.005 0.000 0.275 114 L C -1.159 175.943 176.870 0.385 0.000 0.987 114 L CA -0.907 54.188 54.840 0.425 0.000 0.828 114 L CB 2.486 44.644 42.059 0.166 0.000 1.249 114 L HN 0.497 nan 8.230 nan 0.000 0.409 115 D N 1.644 122.244 120.400 0.334 0.000 2.473 115 D HA 0.369 5.012 4.640 0.005 0.000 0.226 115 D C 0.100 176.491 176.300 0.151 0.000 1.089 115 D CA -0.053 53.946 54.000 -0.002 0.000 0.883 115 D CB 1.376 41.997 40.800 -0.298 0.000 1.029 115 D HN 0.516 nan 8.370 nan 0.000 0.517 116 T N 2.126 116.785 114.554 0.175 0.000 3.408 116 T HA 0.065 4.418 4.350 0.005 0.000 0.273 116 T C -0.182 174.433 174.700 -0.142 0.000 0.983 116 T CA 0.075 62.114 62.100 -0.101 0.000 1.087 116 T CB -0.033 68.611 68.868 -0.374 0.000 1.170 116 T HN 0.211 nan 8.240 nan 0.000 0.456 117 Y N 2.697 123.126 120.300 0.215 0.000 2.650 117 Y HA 0.692 5.245 4.550 0.005 0.000 0.343 117 Y C 0.205 176.230 175.900 0.209 0.000 1.078 117 Y CA -1.114 57.103 58.100 0.196 0.000 1.356 117 Y CB 0.198 38.795 38.460 0.229 0.000 1.204 117 Y HN 0.211 nan 8.280 nan 0.000 0.508 118 A N 2.683 125.550 122.820 0.078 0.000 2.319 118 A HA 0.577 4.900 4.320 0.005 0.000 0.310 118 A C -1.075 176.387 177.584 -0.204 0.000 1.152 118 A CA -0.916 50.966 52.037 -0.258 0.000 0.783 118 A CB 0.643 19.254 19.000 -0.648 0.000 1.184 118 A HN 0.485 nan 8.150 nan 0.000 0.474 119 D N 1.996 122.326 120.400 -0.118 0.000 2.274 119 D HA 0.426 5.069 4.640 0.005 0.000 0.239 119 D C -0.459 175.632 176.300 -0.348 0.000 1.104 119 D CA 0.111 53.986 54.000 -0.208 0.000 0.840 119 D CB 1.804 42.578 40.800 -0.043 0.000 1.100 119 D HN 0.165 nan 8.370 nan 0.000 0.477 120 V N 3.613 123.245 119.914 -0.470 0.000 2.370 120 V HA 0.291 4.414 4.120 0.005 0.000 0.283 120 V C -0.724 175.156 176.094 -0.357 0.000 1.023 120 V CA -0.682 61.442 62.300 -0.293 0.000 0.857 120 V CB 0.346 32.010 31.823 -0.266 0.000 0.985 120 V HN 0.354 nan 8.190 nan 0.000 0.443 121 Y N 4.998 125.404 120.300 0.177 0.000 2.364 121 Y HA 0.740 5.293 4.550 0.005 0.000 0.340 121 Y C -0.330 175.706 175.900 0.227 0.000 0.975 121 Y CA -0.968 57.235 58.100 0.172 0.000 1.089 121 Y CB 1.958 40.511 38.460 0.155 0.000 1.192 121 Y HN 0.515 nan 8.280 nan 0.000 0.454 122 L N 4.551 125.966 121.223 0.320 0.000 2.404 122 L HA 0.530 4.873 4.340 0.005 0.000 0.272 122 L C -0.590 176.398 176.870 0.197 0.000 0.980 122 L CA -0.636 54.366 54.840 0.271 0.000 0.836 122 L CB 1.058 43.264 42.059 0.245 0.000 1.238 122 L HN 0.735 nan 8.230 nan 0.000 0.408 123 N N 4.199 123.003 118.700 0.174 0.000 2.740 123 N HA -0.194 4.549 4.740 0.005 0.000 0.248 123 N C 0.971 176.539 175.510 0.096 0.000 1.062 123 N CA 1.436 54.554 53.050 0.114 0.000 0.704 123 N CB -1.240 37.286 38.487 0.064 0.000 0.968 123 N HN 1.294 nan 8.380 nan 0.000 0.547 124 G N -1.822 107.038 108.800 0.100 0.000 2.184 124 G HA2 -0.306 3.657 3.960 0.005 0.000 0.264 124 G HA3 -0.306 3.657 3.960 0.005 0.000 0.264 124 G C 0.034 175.009 174.900 0.125 0.000 0.975 124 G CA 0.769 45.910 45.100 0.069 0.000 0.642 124 G HN 0.966 nan 8.290 nan 0.000 0.536 125 S N -0.472 115.330 115.700 0.170 0.000 2.475 125 S HA 0.667 5.140 4.470 0.005 0.000 0.298 125 S C 0.018 174.747 174.600 0.215 0.000 1.119 125 S CA -0.646 57.651 58.200 0.161 0.000 1.085 125 S CB 1.201 64.466 63.200 0.108 0.000 1.028 125 S HN 1.204 nan 8.310 nan 0.000 0.489 126 L N 6.926 128.247 121.223 0.163 0.000 2.325 126 L HA 0.373 4.716 4.340 0.005 0.000 0.284 126 L C 0.484 177.309 176.870 -0.075 0.000 1.089 126 L CA 0.373 55.175 54.840 -0.064 0.000 0.836 126 L CB -0.016 42.014 42.059 -0.049 0.000 1.184 126 L HN 0.864 nan 8.230 nan 0.000 0.444 127 L N 4.938 126.098 121.223 -0.105 0.000 2.209 127 L HA 0.192 4.535 4.340 0.005 0.000 0.207 127 L C -0.072 176.740 176.870 -0.097 0.000 1.094 127 L CA 0.290 55.105 54.840 -0.042 0.000 0.790 127 L CB -0.001 42.078 42.059 0.034 0.000 0.932 127 L HN 0.593 nan 8.230 nan 0.000 0.447 128 L N -0.726 120.378 121.223 -0.198 0.000 2.643 128 L HA 0.319 4.662 4.340 0.005 0.000 0.256 128 L C -1.561 175.132 176.870 -0.295 0.000 0.931 128 L CA -0.448 54.243 54.840 -0.249 0.000 0.895 128 L CB 1.693 43.544 42.059 -0.347 0.000 1.430 128 L HN -0.135 nan 8.230 nan 0.000 0.419 129 K N 4.240 124.500 120.400 -0.233 0.000 2.419 129 K HA 0.760 5.083 4.320 0.005 0.000 0.244 129 K C -0.489 175.996 176.600 -0.190 0.000 1.045 129 K CA -0.453 55.732 56.287 -0.170 0.000 1.004 129 K CB 1.513 33.967 32.500 -0.077 0.000 1.376 129 K HN 0.731 nan 8.250 nan 0.000 0.460 130 A N 2.386 125.033 122.820 -0.290 0.000 2.371 130 A HA 0.200 4.522 4.320 0.005 0.000 0.257 130 A C 0.220 177.770 177.584 -0.058 0.000 1.089 130 A CA -0.164 51.668 52.037 -0.341 0.000 0.794 130 A CB 0.225 18.940 19.000 -0.475 0.000 1.029 130 A HN 0.818 nan 8.150 nan 0.000 0.488 131 D N -0.098 120.318 120.400 0.027 0.000 2.704 131 D HA 0.083 4.726 4.640 0.005 0.000 0.291 131 D C -0.760 175.471 176.300 -0.114 0.000 1.610 131 D CA -0.273 53.692 54.000 -0.058 0.000 0.807 131 D CB -0.397 40.482 40.800 0.131 0.000 1.233 131 D HN 0.277 nan 8.370 nan 0.000 0.445 132 N N 1.053 119.735 118.700 -0.030 0.000 2.572 132 N HA 0.130 4.873 4.740 0.005 0.000 0.287 132 N C 0.375 175.824 175.510 -0.102 0.000 1.136 132 N CA -0.309 52.693 53.050 -0.082 0.000 0.900 132 N CB 1.658 40.142 38.487 -0.005 0.000 1.484 132 N HN 0.042 nan 8.380 nan 0.000 0.526 133 M N 2.651 122.053 119.600 -0.329 0.000 2.202 133 M HA -0.060 4.423 4.480 0.005 0.000 0.262 133 M C -0.047 176.245 176.300 -0.013 0.000 1.063 133 M CA 1.827 56.940 55.300 -0.313 0.000 1.097 133 M CB -0.017 32.082 32.600 -0.835 0.000 1.382 133 M HN 0.407 nan 8.290 nan 0.000 0.413 134 F N -0.339 119.735 119.950 0.205 0.000 2.773 134 F HA 0.249 4.779 4.527 0.005 0.000 0.304 134 F C 0.138 175.936 175.800 -0.003 0.000 1.129 134 F CA -0.261 57.901 58.000 0.271 0.000 1.378 134 F CB -0.604 38.609 39.000 0.355 0.000 1.095 134 F HN -0.200 nan 8.300 nan 0.000 0.565 135 V N -0.216 119.605 119.914 -0.155 0.000 2.555 135 V HA 0.724 4.847 4.120 0.005 0.000 0.302 135 V C 0.499 175.921 176.094 -1.121 0.000 1.038 135 V CA -1.069 60.755 62.300 -0.794 0.000 0.887 135 V CB 1.492 32.870 31.823 -0.742 0.000 0.991 135 V HN 0.182 nan 8.190 nan 0.000 0.434 136 G N 2.908 110.625 108.800 -1.804 0.000 2.367 136 G HA2 0.585 4.548 3.960 0.005 0.000 0.314 136 G HA3 0.585 4.548 3.960 0.005 0.000 0.314 136 G C -1.513 172.961 174.900 -0.709 0.000 1.130 136 G CA -0.191 44.356 45.100 -0.922 0.000 0.864 136 G HN 0.508 nan 8.290 nan 0.000 0.486 137 Y N 0.048 120.310 120.300 -0.064 0.000 2.393 137 Y HA 0.526 5.079 4.550 0.005 0.000 0.341 137 Y C 0.576 176.529 175.900 0.088 0.000 0.988 137 Y CA -0.663 57.450 58.100 0.022 0.000 1.078 137 Y CB 2.702 41.200 38.460 0.065 0.000 1.203 137 Y HN 0.386 nan 8.280 nan 0.000 0.453 138 T N 5.189 119.871 114.554 0.212 0.000 2.809 138 T HA 0.608 4.961 4.350 0.005 0.000 0.284 138 T C -0.781 174.000 174.700 0.134 0.000 0.992 138 T CA -0.631 61.550 62.100 0.135 0.000 0.957 138 T CB 0.297 69.212 68.868 0.078 0.000 0.942 138 T HN 0.376 nan 8.240 nan 0.000 0.439 139 L N 5.800 127.096 121.223 0.120 0.000 2.349 139 L HA 0.453 4.796 4.340 0.005 0.000 0.278 139 L C -2.294 174.622 176.870 0.078 0.000 0.996 139 L CA -2.451 52.456 54.840 0.112 0.000 0.825 139 L CB 2.128 44.276 42.059 0.149 0.000 1.243 139 L HN 0.333 nan 8.230 nan 0.000 0.412 140 P HA 0.047 nan 4.420 nan 0.000 0.276 140 P C 0.279 177.609 177.300 0.050 0.000 1.243 140 P CA -0.062 63.076 63.100 0.064 0.000 0.768 140 P CB 1.509 33.248 31.700 0.066 0.000 0.856 141 V N 0.896 120.829 119.914 0.031 0.000 3.382 141 V HA 0.170 4.293 4.120 0.005 0.000 0.296 141 V C 1.921 178.034 176.094 0.032 0.000 1.529 141 V CA 0.166 62.491 62.300 0.042 0.000 1.048 141 V CB -0.380 31.480 31.823 0.060 0.000 0.878 141 V HN 0.344 nan 8.190 nan 0.000 0.442 142 K N 2.598 123.002 120.400 0.008 0.000 2.074 142 K HA -0.223 4.100 4.320 0.005 0.000 0.209 142 K C 2.178 178.797 176.600 0.031 0.000 1.048 142 K CA 2.402 58.697 56.287 0.013 0.000 0.926 142 K CB -0.228 32.261 32.500 -0.017 0.000 0.713 142 K HN 0.743 nan 8.250 nan 0.000 0.444 143 S N -0.536 115.180 115.700 0.027 0.000 2.481 143 S HA -0.037 4.436 4.470 0.005 0.000 0.231 143 S C 1.705 176.327 174.600 0.037 0.000 0.996 143 S CA 0.861 59.078 58.200 0.029 0.000 0.942 143 S CB 0.351 63.566 63.200 0.025 0.000 0.768 143 S HN 0.159 nan 8.310 nan 0.000 0.520 144 V N 0.836 120.779 119.914 0.048 0.000 3.471 144 V HA 0.361 4.484 4.120 0.005 0.000 0.258 144 V C 0.946 177.074 176.094 0.057 0.000 1.192 144 V CA 0.147 62.480 62.300 0.056 0.000 1.116 144 V CB -0.277 31.590 31.823 0.073 0.000 0.792 144 V HN 0.431 nan 8.190 nan 0.000 0.459 145 L N 0.652 121.914 121.223 0.065 0.000 2.464 145 L HA 0.309 4.652 4.340 0.005 0.000 0.264 145 L C 0.432 177.321 176.870 0.032 0.000 1.199 145 L CA 0.378 55.258 54.840 0.066 0.000 0.818 145 L CB 0.373 42.508 42.059 0.126 0.000 1.102 145 L HN 0.190 nan 8.230 nan 0.000 0.473 146 R N 0.969 121.465 120.500 -0.005 0.000 2.807 146 R HA 0.360 4.703 4.340 0.005 0.000 0.276 146 R C -0.891 175.395 176.300 -0.023 0.000 0.979 146 R CA -1.099 54.990 56.100 -0.019 0.000 0.928 146 R CB 1.965 32.238 30.300 -0.045 0.000 1.191 146 R HN 0.393 nan 8.270 nan 0.000 0.471 147 K N 1.162 121.554 120.400 -0.013 0.000 2.412 147 K HA 0.236 4.559 4.320 0.005 0.000 0.281 147 K C 0.404 176.979 176.600 -0.041 0.000 1.027 147 K CA 1.192 57.470 56.287 -0.015 0.000 0.989 147 K CB 0.428 32.923 32.500 -0.009 0.000 0.935 147 K HN 0.745 nan 8.250 nan 0.000 0.475 148 G N 2.980 111.751 108.800 -0.048 0.000 2.503 148 G HA2 -0.247 3.716 3.960 0.005 0.000 0.235 148 G HA3 -0.247 3.716 3.960 0.005 0.000 0.235 148 G C -0.771 174.045 174.900 -0.140 0.000 1.179 148 G CA -0.403 44.654 45.100 -0.071 0.000 0.944 148 G HN 0.681 nan 8.290 nan 0.000 0.580 149 E N 1.427 121.519 120.200 -0.180 0.000 2.373 149 E HA 0.347 4.700 4.350 0.005 0.000 0.267 149 E C -0.217 176.050 176.600 -0.555 0.000 1.032 149 E CA -0.116 56.080 56.400 -0.340 0.000 0.889 149 E CB 0.299 29.838 29.700 -0.269 0.000 0.984 149 E HN 0.406 nan 8.360 nan 0.000 0.425 150 N N 1.909 120.091 118.700 -0.863 0.000 2.235 150 N HA 0.280 5.023 4.740 0.005 0.000 0.293 150 N C -1.365 173.544 175.510 -1.001 0.000 1.083 150 N CA -0.600 51.891 53.050 -0.932 0.000 0.801 150 N CB 1.566 39.338 38.487 -1.191 0.000 1.559 150 N HN 0.404 nan 8.380 nan 0.000 0.472 151 H N 1.511 120.448 119.070 -0.221 0.000 2.589 151 H HA 0.325 4.884 4.556 0.005 0.000 0.335 151 H C -0.804 174.607 175.328 0.138 0.000 1.019 151 H CA -0.545 55.484 56.048 -0.032 0.000 1.213 151 H CB 2.357 32.170 29.762 0.085 0.000 1.472 151 H HN 0.331 nan 8.280 nan 0.000 0.508 152 L N 4.404 125.788 121.223 0.267 0.000 2.305 152 L HA 0.369 4.712 4.340 0.005 0.000 0.284 152 L C -1.623 175.465 176.870 0.364 0.000 1.013 152 L CA -0.537 54.516 54.840 0.354 0.000 0.819 152 L CB 0.503 42.765 42.059 0.337 0.000 1.227 152 L HN 0.391 nan 8.230 nan 0.000 0.417 153 Y N 5.236 125.750 120.300 0.357 0.000 2.409 153 Y HA 0.659 5.212 4.550 0.005 0.000 0.343 153 Y C -0.344 175.856 175.900 0.501 0.000 0.973 153 Y CA -0.628 57.729 58.100 0.428 0.000 1.064 153 Y CB 1.953 40.629 38.460 0.359 0.000 1.207 153 Y HN 0.414 nan 8.280 nan 0.000 0.452 154 I N 3.750 124.713 120.570 0.654 0.000 2.466 154 I HA 0.241 4.414 4.170 0.005 0.000 0.289 154 I C -1.415 174.945 176.117 0.406 0.000 1.026 154 I CA -1.011 60.528 61.300 0.399 0.000 1.078 154 I CB 1.848 39.990 38.000 0.236 0.000 1.249 154 I HN 0.533 nan 8.210 nan 0.000 0.429 155 Y N 6.389 126.762 120.300 0.122 0.000 2.353 155 Y HA 0.498 5.051 4.550 0.005 0.000 0.340 155 Y C -1.121 174.685 175.900 -0.158 0.000 0.972 155 Y CA -0.487 57.674 58.100 0.103 0.000 1.157 155 Y CB 0.870 39.391 38.460 0.102 0.000 1.157 155 Y HN 0.347 nan 8.280 nan 0.000 0.495 156 F N 5.495 125.444 119.950 -0.003 0.000 2.334 156 F HA 0.271 4.801 4.527 0.005 0.000 0.367 156 F C 0.275 176.116 175.800 0.068 0.000 1.115 156 F CA -0.663 57.416 58.000 0.131 0.000 1.116 156 F CB 0.334 39.461 39.000 0.211 0.000 1.230 156 F HN 0.459 nan 8.300 nan 0.000 0.484 157 H N 1.323 120.678 119.070 0.474 0.000 2.848 157 H HA -0.013 4.546 4.556 0.005 0.000 0.341 157 H C 0.529 176.071 175.328 0.357 0.000 1.060 157 H CA -0.149 56.146 56.048 0.411 0.000 1.444 157 H CB 1.328 31.284 29.762 0.324 0.000 1.446 157 H HN 0.504 nan 8.280 nan 0.000 0.583 158 S N 4.688 120.608 115.700 0.368 0.000 2.596 158 S HA -0.034 4.439 4.470 0.005 0.000 0.298 158 S C -1.160 173.616 174.600 0.293 0.000 1.255 158 S CA -1.157 57.220 58.200 0.296 0.000 1.083 158 S CB 0.449 63.774 63.200 0.207 0.000 0.837 158 S HN 0.538 nan 8.310 nan 0.000 0.499 159 P HA -0.038 nan 4.420 nan 0.000 0.233 159 P C 1.307 178.757 177.300 0.250 0.000 1.167 159 P CA 0.431 63.766 63.100 0.390 0.000 0.770 159 P CB 0.030 31.976 31.700 0.411 0.000 0.837 160 I N 0.282 120.955 120.570 0.172 0.000 2.206 160 I HA -0.081 4.092 4.170 0.005 0.000 0.239 160 I C 2.554 178.708 176.117 0.062 0.000 1.078 160 I CA 1.138 62.499 61.300 0.102 0.000 1.367 160 I CB -1.403 36.641 38.000 0.074 0.000 1.078 160 I HN -0.039 nan 8.210 nan 0.000 0.413 161 R N 0.760 121.308 120.500 0.080 0.000 2.127 161 R HA -0.206 4.137 4.340 0.005 0.000 0.238 161 R C 2.085 178.385 176.300 -0.000 0.000 1.134 161 R CA 1.076 57.209 56.100 0.054 0.000 0.975 161 R CB -0.778 29.576 30.300 0.089 0.000 0.865 161 R HN 0.417 nan 8.270 nan 0.000 0.447 162 Q N 0.420 120.200 119.800 -0.033 0.000 2.226 162 Q HA -0.084 4.259 4.340 0.005 0.000 0.204 162 Q C 1.286 177.154 176.000 -0.220 0.000 0.975 162 Q CA 1.909 57.584 55.803 -0.214 0.000 0.866 162 Q CB 0.083 28.509 28.738 -0.519 0.000 0.915 162 Q HN 0.478 nan 8.270 nan 0.000 0.440 163 T N -3.782 110.707 114.554 -0.109 0.000 3.044 163 T HA 0.242 4.595 4.350 0.005 0.000 0.260 163 T C 1.472 176.117 174.700 -0.091 0.000 1.019 163 T CA -0.230 61.809 62.100 -0.103 0.000 0.921 163 T CB -0.044 68.851 68.868 0.045 0.000 1.053 163 T HN 0.143 nan 8.240 nan 0.000 0.533 164 L N 1.098 122.295 121.223 -0.043 0.000 2.012 164 L HA 0.016 4.359 4.340 0.005 0.000 0.210 164 L C -0.462 176.410 176.870 0.004 0.000 1.073 164 L CA 1.592 56.436 54.840 0.006 0.000 0.748 164 L CB -1.437 40.634 42.059 0.020 0.000 0.891 164 L HN 0.223 nan 8.230 nan 0.000 0.431 165 P HA -0.203 nan 4.420 nan 0.000 0.217 165 P C 1.482 178.696 177.300 -0.144 0.000 1.150 165 P CA 1.219 64.273 63.100 -0.077 0.000 0.832 165 P CB 0.030 31.680 31.700 -0.083 0.000 0.787 166 Q N -1.497 118.168 119.800 -0.224 0.000 2.046 166 Q HA -0.221 4.121 4.340 0.005 0.000 0.200 166 Q C 2.163 177.839 176.000 -0.541 0.000 0.975 166 Q CA 1.288 56.850 55.803 -0.401 0.000 0.836 166 Q CB -0.637 27.789 28.738 -0.520 0.000 0.896 166 Q HN 0.171 nan 8.270 nan 0.000 0.428 167 Y N 0.298 120.236 120.300 -0.603 0.000 2.181 167 Y HA -0.197 4.356 4.550 0.005 0.000 0.288 167 Y C 1.989 177.776 175.900 -0.189 0.000 1.146 167 Y CA 1.642 59.519 58.100 -0.372 0.000 1.164 167 Y CB -0.530 37.849 38.460 -0.134 0.000 0.982 167 Y HN 0.210 nan 8.280 nan 0.000 0.515 168 A N -0.233 122.474 122.820 -0.189 0.000 1.933 168 A HA -0.201 4.122 4.320 0.005 0.000 0.218 168 A C 2.434 179.876 177.584 -0.238 0.000 1.175 168 A CA 2.144 54.055 52.037 -0.210 0.000 0.628 168 A CB -1.363 17.604 19.000 -0.055 0.000 0.814 168 A HN 0.608 nan 8.150 nan 0.000 0.444 169 S N -0.258 115.315 115.700 -0.212 0.000 2.481 169 S HA -0.125 4.348 4.470 0.005 0.000 0.231 169 S C 1.584 176.066 174.600 -0.195 0.000 0.996 169 S CA 1.300 59.397 58.200 -0.172 0.000 0.942 169 S CB -0.552 62.563 63.200 -0.142 0.000 0.768 169 S HN 0.576 nan 8.310 nan 0.000 0.520 170 N N 1.433 119.954 118.700 -0.297 0.000 2.300 170 N HA 0.126 4.869 4.740 0.005 0.000 0.179 170 N C 1.425 176.741 175.510 -0.323 0.000 1.016 170 N CA 1.277 54.134 53.050 -0.322 0.000 0.876 170 N CB -0.484 37.785 38.487 -0.363 0.000 0.979 170 N HN 0.606 nan 8.380 nan 0.000 0.432 171 G N -1.211 107.410 108.800 -0.299 0.000 2.184 171 G HA2 -0.249 3.714 3.960 0.005 0.000 0.264 171 G HA3 -0.249 3.714 3.960 0.005 0.000 0.264 171 G C 0.046 174.958 174.900 0.021 0.000 0.975 171 G CA 0.994 46.020 45.100 -0.123 0.000 0.642 171 G HN 0.573 nan 8.290 nan 0.000 0.536 172 F N -1.968 117.910 119.950 -0.120 0.000 2.741 172 F HA 0.766 5.296 4.527 0.005 0.000 0.313 172 F C -1.055 174.757 175.800 0.019 0.000 1.153 172 F CA -1.927 56.057 58.000 -0.026 0.000 0.931 172 F CB 0.883 39.904 39.000 0.036 0.000 1.335 172 F HN 0.025 nan 8.300 nan 0.000 0.460 173 N N 0.888 119.841 118.700 0.421 0.000 2.417 173 N HA 0.331 5.074 4.740 0.005 0.000 0.274 173 N C -1.570 174.265 175.510 0.542 0.000 0.987 173 N CA -0.555 52.762 53.050 0.444 0.000 0.912 173 N CB 0.594 39.300 38.487 0.364 0.000 1.177 173 N HN 0.637 nan 8.380 nan 0.000 0.490 174 Y N 3.021 123.529 120.300 0.347 0.000 2.597 174 Y HA 0.118 4.671 4.550 0.005 0.000 0.336 174 Y C -1.167 174.886 175.900 0.255 0.000 1.216 174 Y CA -0.942 57.287 58.100 0.214 0.000 1.463 174 Y CB 0.655 39.054 38.460 -0.102 0.000 1.303 174 Y HN 0.493 nan 8.280 nan 0.000 0.576 175 P HA 0.125 nan 4.420 nan 0.000 0.220 175 P C -0.861 176.412 177.300 -0.046 0.000 1.778 175 P CA 0.075 63.201 63.100 0.043 0.000 0.912 175 P CB -0.378 31.025 31.700 -0.495 0.000 1.861 176 A N 1.275 123.987 122.820 -0.181 0.000 3.015 176 A HA 0.187 4.510 4.320 0.005 0.000 0.293 176 A C 1.168 178.342 177.584 -0.682 0.000 1.572 176 A CA -0.376 51.438 52.037 -0.372 0.000 1.274 176 A CB -0.352 18.429 19.000 -0.364 0.000 1.156 176 A HN 0.063 nan 8.150 nan 0.000 0.562 177 D N 0.894 121.073 120.400 -0.367 0.000 2.221 177 D HA -0.141 4.502 4.640 0.005 0.000 0.204 177 D C 1.052 177.169 176.300 -0.304 0.000 0.982 177 D CA 1.047 54.878 54.000 -0.281 0.000 0.857 177 D CB 0.148 40.866 40.800 -0.137 0.000 0.934 177 D HN 0.539 nan 8.370 nan 0.000 0.475 178 N N 1.009 119.396 118.700 -0.523 0.000 2.494 178 N HA -0.093 4.650 4.740 0.005 0.000 0.182 178 N C 0.213 175.376 175.510 -0.580 0.000 1.076 178 N CA 0.344 52.946 53.050 -0.745 0.000 0.908 178 N CB 0.185 37.593 38.487 -1.799 0.000 0.967 178 N HN 0.152 nan 8.380 nan 0.000 0.449 179 D N 0.885 121.063 120.400 -0.369 0.000 2.374 179 D HA 0.003 4.646 4.640 0.005 0.000 0.240 179 D C -0.410 175.957 176.300 0.112 0.000 1.229 179 D CA -0.183 53.729 54.000 -0.147 0.000 0.895 179 D CB -0.198 40.490 40.800 -0.186 0.000 1.046 179 D HN 0.261 nan 8.370 nan 0.000 0.498 180 H N 4.320 123.437 119.070 0.080 0.000 2.998 180 H HA 0.131 4.690 4.556 0.005 0.000 0.241 180 H C 0.048 175.486 175.328 0.183 0.000 1.852 180 H CA -0.155 55.944 56.048 0.085 0.000 1.419 180 H CB 0.049 29.817 29.762 0.011 0.000 1.793 180 H HN 0.334 nan 8.280 nan 0.000 0.553 181 H N 0.676 119.878 119.070 0.221 0.000 3.037 181 H HA -0.019 4.540 4.556 0.005 0.000 0.336 181 H C 0.547 175.916 175.328 0.069 0.000 1.323 181 H CA -0.504 55.621 56.048 0.128 0.000 1.159 181 H CB 1.626 31.462 29.762 0.124 0.000 1.882 181 H HN 0.517 nan 8.280 nan 0.000 0.535 182 E N 2.114 122.320 120.200 0.010 0.000 2.118 182 E HA -0.099 4.254 4.350 0.005 0.000 0.195 182 E C -0.454 176.085 176.600 -0.103 0.000 0.992 182 E CA 1.011 57.400 56.400 -0.019 0.000 0.804 182 E CB 0.265 29.929 29.700 -0.059 0.000 0.741 182 E HN 0.346 nan 8.360 nan 0.000 0.458 183 K N 0.357 120.822 120.400 0.109 0.000 2.213 183 K HA 0.234 4.557 4.320 0.005 0.000 0.270 183 K C -1.113 175.336 176.600 -0.252 0.000 1.002 183 K CA -0.313 55.740 56.287 -0.389 0.000 0.868 183 K CB 1.126 33.214 32.500 -0.687 0.000 1.093 183 K HN 0.185 nan 8.250 nan 0.000 0.454 184 H N 3.713 122.731 119.070 -0.086 0.000 2.820 184 H HA 0.086 4.645 4.556 0.005 0.000 0.248 184 H C 0.807 176.079 175.328 -0.094 0.000 1.714 184 H CA -0.373 55.640 56.048 -0.059 0.000 1.334 184 H CB 0.030 29.798 29.762 0.010 0.000 1.693 184 H HN 0.391 nan 8.280 nan 0.000 0.548 185 L N 0.727 121.933 121.223 -0.028 0.000 2.313 185 L HA -0.129 4.214 4.340 0.005 0.000 0.214 185 L C 2.442 179.247 176.870 -0.107 0.000 1.119 185 L CA 0.600 55.491 54.840 0.085 0.000 0.809 185 L CB -0.276 41.814 42.059 0.051 0.000 0.933 185 L HN 0.565 nan 8.230 nan 0.000 0.449 186 S N 0.621 115.972 115.700 -0.583 0.000 2.374 186 S HA -0.209 4.264 4.470 0.005 0.000 0.227 186 S C 1.973 176.353 174.600 -0.367 0.000 1.037 186 S CA 1.512 59.090 58.200 -1.037 0.000 1.024 186 S CB -1.282 61.196 63.200 -1.203 0.000 0.861 186 S HN 0.374 nan 8.310 nan 0.000 0.456 187 V N -1.806 117.839 119.914 -0.448 0.000 2.720 187 V HA 0.027 4.150 4.120 0.005 0.000 0.256 187 V C 1.969 177.803 176.094 -0.433 0.000 1.082 187 V CA 1.285 63.264 62.300 -0.536 0.000 1.101 187 V CB -1.512 29.609 31.823 -1.170 0.000 0.693 187 V HN 0.389 nan 8.190 nan 0.000 0.479 188 F N 1.128 121.045 119.950 -0.054 0.000 2.615 188 F HA 0.299 4.829 4.527 0.005 0.000 0.297 188 F C 1.387 177.389 175.800 0.337 0.000 1.124 188 F CA 0.320 58.357 58.000 0.063 0.000 1.451 188 F CB -0.276 38.755 39.000 0.051 0.000 1.103 188 F HN 0.094 nan 8.300 nan 0.000 0.569 189 S N 0.607 116.579 115.700 0.454 0.000 2.472 189 S HA 0.435 4.908 4.470 0.005 0.000 0.303 189 S C 0.053 174.846 174.600 0.321 0.000 1.099 189 S CA -0.855 57.605 58.200 0.433 0.000 1.077 189 S CB 1.336 64.801 63.200 0.442 0.000 1.031 189 S HN -0.070 nan 8.310 nan 0.000 0.487 190 R N 3.074 123.684 120.500 0.184 0.000 2.893 190 R HA 0.285 4.628 4.340 0.005 0.000 0.243 190 R C -0.083 176.087 176.300 -0.216 0.000 1.481 190 R CA -0.015 56.149 56.100 0.106 0.000 1.250 190 R CB -0.944 29.404 30.300 0.079 0.000 1.213 190 R HN 0.582 nan 8.270 nan 0.000 0.609 191 K N -0.402 119.942 120.400 -0.094 0.000 2.527 191 K HA 0.499 4.821 4.320 0.005 0.000 0.260 191 K C -1.063 175.579 176.600 0.070 0.000 0.937 191 K CA -0.701 55.430 56.287 -0.260 0.000 0.826 191 K CB 1.987 34.470 32.500 -0.028 0.000 1.359 191 K HN 0.307 nan 8.250 nan 0.000 0.434 192 A N 4.663 127.498 122.820 0.025 0.000 2.553 192 A HA 0.145 4.468 4.320 0.005 0.000 0.258 192 A C -1.945 175.850 177.584 0.352 0.000 1.069 192 A CA -0.747 51.493 52.037 0.339 0.000 0.767 192 A CB -0.287 18.905 19.000 0.320 0.000 0.997 192 A HN 0.659 nan 8.150 nan 0.000 0.512 193 P HA -0.222 nan 4.420 nan 0.000 0.216 193 P C 1.253 178.835 177.300 0.470 0.000 1.153 193 P CA 2.012 65.338 63.100 0.377 0.000 0.858 193 P CB -0.154 31.699 31.700 0.256 0.000 0.789 194 Y N -0.539 119.874 120.300 0.187 0.000 2.421 194 Y HA -0.120 4.433 4.550 0.005 0.000 0.292 194 Y C 2.134 178.114 175.900 0.134 0.000 1.136 194 Y CA 0.975 59.198 58.100 0.204 0.000 1.255 194 Y CB -1.524 37.051 38.460 0.191 0.000 0.991 194 Y HN -0.038 nan 8.280 nan 0.000 0.552 195 S N -0.189 115.120 115.700 -0.652 0.000 2.419 195 S HA -0.276 4.197 4.470 0.005 0.000 0.235 195 S C 1.262 175.579 174.600 -0.471 0.000 1.019 195 S CA 1.164 58.903 58.200 -0.769 0.000 0.982 195 S CB -1.331 61.470 63.200 -0.665 0.000 0.789 195 S HN 0.690 nan 8.310 nan 0.000 0.490 196 Y N 2.617 122.791 120.300 -0.209 0.000 2.529 196 Y HA 0.417 4.970 4.550 0.005 0.000 0.290 196 Y C 1.527 177.285 175.900 -0.237 0.000 1.177 196 Y CA 0.186 58.198 58.100 -0.145 0.000 1.305 196 Y CB -0.297 38.129 38.460 -0.057 0.000 1.047 196 Y HN 0.612 nan 8.280 nan 0.000 0.522 197 G N -1.031 107.655 108.800 -0.190 0.000 2.484 197 G HA2 -0.037 3.926 3.960 0.005 0.000 0.685 197 G HA3 -0.037 3.926 3.960 0.005 0.000 0.685 197 G C -1.409 173.262 174.900 -0.382 0.000 1.294 197 G CA -0.906 43.904 45.100 -0.484 0.000 0.879 197 G HN 0.151 nan 8.290 nan 0.000 0.646 198 W N 0.021 120.923 121.300 -0.662 0.000 2.874 198 W HA 0.360 5.023 4.660 0.005 0.000 0.403 198 W C 0.002 176.292 176.519 -0.383 0.000 1.144 198 W CA 0.356 57.316 57.345 -0.641 0.000 1.175 198 W CB 1.367 30.147 29.460 -1.134 0.000 1.483 198 W HN 0.792 nan 8.180 nan 0.000 0.591 199 D N -0.600 119.594 120.400 -0.344 0.000 2.349 199 D HA -0.066 4.577 4.640 0.005 0.000 0.224 199 D C 0.883 177.383 176.300 0.334 0.000 1.029 199 D CA 0.599 54.622 54.000 0.038 0.000 0.879 199 D CB -0.544 40.303 40.800 0.078 0.000 0.906 199 D HN 0.411 nan 8.370 nan 0.000 0.528 200 W N -1.116 120.530 121.300 0.576 0.000 2.252 200 W HA 0.606 5.269 4.660 0.005 0.000 0.338 200 W C -0.194 176.643 176.519 0.529 0.000 0.914 200 W CA -0.925 56.704 57.345 0.473 0.000 1.754 200 W CB 0.077 29.816 29.460 0.464 0.000 1.135 200 W HN -0.017 nan 8.180 nan 0.000 0.531 201 G N 1.827 110.849 108.800 0.370 0.000 2.524 201 G HA2 0.554 4.517 3.960 0.005 0.000 0.310 201 G HA3 0.554 4.517 3.960 0.005 0.000 0.310 201 G C -1.393 173.363 174.900 -0.240 0.000 1.279 201 G CA -0.912 44.299 45.100 0.185 0.000 0.974 201 G HN 0.121 nan 8.290 nan 0.000 0.484 202 I N 0.680 120.664 120.570 -0.976 0.000 2.519 202 I HA 0.384 4.557 4.170 0.005 0.000 0.287 202 I C 0.705 176.513 176.117 -0.516 0.000 1.047 202 I CA -0.929 59.768 61.300 -1.004 0.000 1.381 202 I CB 0.790 37.791 38.000 -1.665 0.000 1.417 202 I HN 0.411 nan 8.210 nan 0.000 0.540 203 R N 8.321 128.626 120.500 -0.325 0.000 2.242 203 R HA 0.357 4.700 4.340 0.005 0.000 0.334 203 R C -1.202 174.909 176.300 -0.314 0.000 1.071 203 R CA 0.008 55.955 56.100 -0.255 0.000 0.922 203 R CB 0.334 30.584 30.300 -0.084 0.000 1.023 203 R HN 0.680 nan 8.270 nan 0.000 0.458 204 M N 5.673 125.022 119.600 -0.420 0.000 1.962 204 M HA 0.151 4.634 4.480 0.005 0.000 0.227 204 M C -1.010 174.945 176.300 -0.575 0.000 0.890 204 M CA -0.596 54.381 55.300 -0.539 0.000 0.843 204 M CB 2.044 34.272 32.600 -0.620 0.000 1.894 204 M HN 0.215 nan 8.290 nan 0.000 0.359 205 V N 1.466 121.117 119.914 -0.439 0.000 2.287 205 V HA 0.094 4.217 4.120 0.005 0.000 0.246 205 V C 0.749 176.680 176.094 -0.271 0.000 1.165 205 V CA 0.387 62.405 62.300 -0.470 0.000 1.088 205 V CB 0.183 31.719 31.823 -0.478 0.000 1.242 205 V HN 0.701 nan 8.190 nan 0.000 0.497 206 T N 3.302 117.657 114.554 -0.331 0.000 2.862 206 T HA 0.617 4.970 4.350 0.005 0.000 0.276 206 T C 0.124 174.703 174.700 -0.202 0.000 0.974 206 T CA -0.173 61.817 62.100 -0.184 0.000 0.966 206 T CB 1.348 70.062 68.868 -0.257 0.000 1.072 206 T HN 0.623 nan 8.240 nan 0.000 0.538 207 S N -0.877 114.676 115.700 -0.246 0.000 2.618 207 S HA 0.903 5.376 4.470 0.005 0.000 0.277 207 S C -0.253 173.984 174.600 -0.606 0.000 1.138 207 S CA -0.144 57.857 58.200 -0.332 0.000 0.844 207 S CB 1.756 64.837 63.200 -0.199 0.000 1.127 207 S HN 1.317 nan 8.310 nan 0.000 0.474 208 G N -0.352 107.873 108.800 -0.959 0.000 2.369 208 G HA2 0.231 4.194 3.960 0.005 0.000 0.295 208 G HA3 0.231 4.194 3.960 0.005 0.000 0.295 208 G C -1.791 172.775 174.900 -0.557 0.000 1.298 208 G CA -0.723 43.626 45.100 -1.252 0.000 0.940 208 G HN 0.834 nan 8.290 nan 0.000 0.536 209 V N 2.376 122.014 119.914 -0.461 0.000 2.352 209 V HA 0.231 4.354 4.120 0.005 0.000 0.253 209 V C 1.357 177.423 176.094 -0.047 0.000 1.083 209 V CA 0.326 62.569 62.300 -0.094 0.000 0.993 209 V CB -0.103 31.568 31.823 -0.253 0.000 1.111 209 V HN 0.800 nan 8.190 nan 0.000 0.490 210 W N 5.412 126.653 121.300 -0.097 0.000 3.077 210 W HA 0.328 4.991 4.660 0.005 0.000 0.266 210 W C 0.332 176.852 176.519 0.001 0.000 1.300 210 W CA -0.543 56.759 57.345 -0.071 0.000 1.586 210 W CB 0.204 29.633 29.460 -0.052 0.000 1.103 210 W HN 0.350 nan 8.180 nan 0.000 0.652 211 R N 0.149 120.402 120.500 -0.411 0.000 2.888 211 R HA 0.429 4.772 4.340 0.005 0.000 0.264 211 R C -2.597 173.601 176.300 -0.170 0.000 1.045 211 R CA -2.079 53.788 56.100 -0.388 0.000 0.962 211 R CB 1.271 31.182 30.300 -0.649 0.000 1.210 211 R HN -0.398 nan 8.270 nan 0.000 0.479 212 P HA 0.054 nan 4.420 nan 0.000 0.269 212 P C -0.983 176.286 177.300 -0.052 0.000 1.215 212 P CA -0.193 62.869 63.100 -0.063 0.000 0.780 212 P CB 0.568 32.239 31.700 -0.049 0.000 0.898 213 V N 1.661 121.545 119.914 -0.051 0.000 2.495 213 V HA 0.621 4.743 4.120 0.005 0.000 0.298 213 V C 0.171 176.182 176.094 -0.138 0.000 1.031 213 V CA -0.388 61.818 62.300 -0.157 0.000 0.871 213 V CB 1.612 33.374 31.823 -0.101 0.000 0.988 213 V HN 0.732 nan 8.190 nan 0.000 0.432 214 T N 2.561 116.991 114.554 -0.206 0.000 2.909 214 T HA 0.760 5.113 4.350 0.005 0.000 0.299 214 T C -1.049 173.522 174.700 -0.215 0.000 1.073 214 T CA -0.692 61.316 62.100 -0.153 0.000 0.999 214 T CB 1.784 70.598 68.868 -0.089 0.000 1.098 214 T HN 0.391 nan 8.240 nan 0.000 0.477 215 L N 2.029 123.130 121.223 -0.203 0.000 2.313 215 L HA 0.622 4.965 4.340 0.005 0.000 0.283 215 L C 0.129 176.862 176.870 -0.229 0.000 1.013 215 L CA -0.927 53.735 54.840 -0.297 0.000 0.816 215 L CB 1.762 43.586 42.059 -0.392 0.000 1.236 215 L HN 0.690 nan 8.230 nan 0.000 0.419 216 R N 3.790 124.137 120.500 -0.255 0.000 2.393 216 R HA 0.472 4.815 4.340 0.005 0.000 0.315 216 R C -1.694 174.550 176.300 -0.093 0.000 0.952 216 R CA -0.489 55.571 56.100 -0.065 0.000 0.842 216 R CB 0.994 31.296 30.300 0.003 0.000 1.163 216 R HN 0.331 nan 8.270 nan 0.000 0.450 217 F N 5.988 126.022 119.950 0.140 0.000 2.404 217 F HA 0.391 4.921 4.527 0.005 0.000 0.354 217 F C -0.253 175.638 175.800 0.152 0.000 1.122 217 F CA -0.546 57.509 58.000 0.092 0.000 1.080 217 F CB 0.991 40.010 39.000 0.032 0.000 1.131 217 F HN 0.477 nan 8.300 nan 0.000 0.471 218 Y N -0.584 119.799 120.300 0.139 0.000 2.655 218 Y HA 0.673 5.226 4.550 0.005 0.000 0.336 218 Y C -1.738 174.199 175.900 0.061 0.000 1.154 218 Y CA -1.588 56.560 58.100 0.080 0.000 1.055 218 Y CB 1.267 39.750 38.460 0.038 0.000 1.295 218 Y HN 0.311 nan 8.280 nan 0.000 0.465 219 D N 2.163 122.670 120.400 0.178 0.000 2.350 219 D HA 0.437 5.080 4.640 0.005 0.000 0.245 219 D C 0.627 177.037 176.300 0.183 0.000 1.036 219 D CA -0.079 53.965 54.000 0.073 0.000 0.848 219 D CB 2.083 42.919 40.800 0.059 0.000 1.307 219 D HN 0.758 nan 8.370 nan 0.000 0.469 220 I N -0.397 120.234 120.570 0.102 0.000 4.624 220 I HA -0.367 3.806 4.170 0.005 0.000 0.049 220 I C 0.497 176.736 176.117 0.204 0.000 0.621 220 I CA 1.612 62.982 61.300 0.116 0.000 0.836 220 I CB -1.892 36.157 38.000 0.082 0.000 0.765 220 I HN 0.642 nan 8.210 nan 0.000 0.159 221 A N 0.030 123.025 122.820 0.290 0.000 2.601 221 A HA 0.749 5.072 4.320 0.005 0.000 0.291 221 A C -0.187 177.355 177.584 -0.070 0.000 1.075 221 A CA 0.384 52.523 52.037 0.170 0.000 0.671 221 A CB 1.482 20.512 19.000 0.051 0.000 1.277 221 A HN 0.672 nan 8.150 nan 0.000 0.417 222 T N -1.154 113.245 114.554 -0.259 0.000 2.908 222 T HA 0.712 5.065 4.350 0.005 0.000 0.290 222 T C -0.401 174.194 174.700 -0.173 0.000 1.034 222 T CA -0.478 61.410 62.100 -0.353 0.000 1.010 222 T CB 0.982 69.516 68.868 -0.557 0.000 1.068 222 T HN 0.555 nan 8.240 nan 0.000 0.481 223 I N 3.342 123.827 120.570 -0.140 0.000 2.347 223 I HA 0.124 4.297 4.170 0.005 0.000 0.294 223 I C 1.608 177.687 176.117 -0.063 0.000 1.090 223 I CA -0.363 60.886 61.300 -0.085 0.000 1.314 223 I CB 1.050 39.005 38.000 -0.075 0.000 1.423 223 I HN 0.964 nan 8.210 nan 0.000 0.503 224 S N 2.899 118.572 115.700 -0.046 0.000 2.470 224 S HA 0.032 4.505 4.470 0.005 0.000 0.225 224 S C 0.277 174.887 174.600 0.016 0.000 1.006 224 S CA 0.071 58.256 58.200 -0.025 0.000 0.934 224 S CB 0.005 63.190 63.200 -0.025 0.000 0.778 224 S HN 0.718 nan 8.310 nan 0.000 0.517 225 D N -0.918 119.513 120.400 0.053 0.000 2.886 225 D HA 0.416 5.059 4.640 0.005 0.000 0.216 225 D C -2.205 174.232 176.300 0.229 0.000 1.256 225 D CA -0.516 53.552 54.000 0.115 0.000 0.844 225 D CB 1.315 42.171 40.800 0.094 0.000 1.669 225 D HN 0.097 nan 8.370 nan 0.000 0.513 226 Y N 4.090 124.474 120.300 0.139 0.000 2.326 226 Y HA 0.521 5.074 4.550 0.005 0.000 0.329 226 Y C -2.261 173.815 175.900 0.294 0.000 0.973 226 Y CA -1.242 56.972 58.100 0.191 0.000 1.162 226 Y CB 0.660 39.196 38.460 0.126 0.000 1.147 226 Y HN 0.393 nan 8.280 nan 0.000 0.456 227 Y N 6.275 126.657 120.300 0.136 0.000 2.328 227 Y HA 0.625 5.178 4.550 0.005 0.000 0.336 227 Y C -1.503 174.286 175.900 -0.184 0.000 0.960 227 Y CA -1.879 56.147 58.100 -0.123 0.000 1.134 227 Y CB 1.397 39.843 38.460 -0.024 0.000 1.166 227 Y HN 0.335 nan 8.280 nan 0.000 0.464 228 V N 8.271 127.920 119.914 -0.441 0.000 2.304 228 V HA 0.364 4.487 4.120 0.005 0.000 0.262 228 V C 0.187 175.865 176.094 -0.693 0.000 1.061 228 V CA -0.574 61.390 62.300 -0.560 0.000 0.872 228 V CB 0.267 31.643 31.823 -0.745 0.000 1.077 228 V HN 0.678 nan 8.190 nan 0.000 0.480 229 R N 4.268 124.296 120.500 -0.788 0.000 2.221 229 R HA 0.306 4.649 4.340 0.005 0.000 0.327 229 R C 0.009 176.093 176.300 -0.361 0.000 1.033 229 R CA -0.458 55.179 56.100 -0.771 0.000 0.887 229 R CB 0.844 30.625 30.300 -0.864 0.000 1.057 229 R HN 0.765 nan 8.270 nan 0.000 0.455 230 Q N 5.085 124.733 119.800 -0.253 0.000 2.307 230 Q HA 0.085 4.427 4.340 0.005 0.000 0.259 230 Q C 0.371 176.308 176.000 -0.104 0.000 0.998 230 Q CA -0.162 55.548 55.803 -0.156 0.000 0.923 230 Q CB 0.987 29.650 28.738 -0.124 0.000 1.196 230 Q HN 0.785 nan 8.270 nan 0.000 0.416 231 L N 2.245 123.417 121.223 -0.084 0.000 2.127 231 L HA 0.088 4.431 4.340 0.005 0.000 0.203 231 L C 0.645 177.494 176.870 -0.035 0.000 1.080 231 L CA 0.430 55.236 54.840 -0.056 0.000 0.768 231 L CB -0.069 41.961 42.059 -0.049 0.000 0.924 231 L HN 0.667 nan 8.230 nan 0.000 0.444 232 S N -0.894 114.788 115.700 -0.030 0.000 2.565 232 S HA 0.635 5.108 4.470 0.005 0.000 0.269 232 S C -1.308 173.286 174.600 -0.010 0.000 1.153 232 S CA -0.829 57.363 58.200 -0.015 0.000 0.835 232 S CB 2.519 65.713 63.200 -0.009 0.000 1.122 232 S HN -0.009 nan 8.310 nan 0.000 0.462 233 L N 1.702 122.927 121.223 0.003 0.000 2.516 233 L HA 0.805 5.148 4.340 0.005 0.000 0.267 233 L C -0.512 176.373 176.870 0.024 0.000 0.957 233 L CA 0.335 55.184 54.840 0.014 0.000 0.860 233 L CB 1.814 43.887 42.059 0.023 0.000 1.265 233 L HN 1.226 nan 8.230 nan 0.000 0.403 234 T N -0.776 113.793 114.554 0.025 0.000 2.907 234 T HA 0.445 4.798 4.350 0.005 0.000 0.290 234 T C 0.397 175.118 174.700 0.035 0.000 1.066 234 T CA -0.572 61.545 62.100 0.028 0.000 1.012 234 T CB 1.337 70.217 68.868 0.020 0.000 1.184 234 T HN 0.471 nan 8.240 nan 0.000 0.522 235 D N 0.503 120.924 120.400 0.035 0.000 2.190 235 D HA -0.090 4.553 4.640 0.005 0.000 0.200 235 D C 1.566 177.887 176.300 0.036 0.000 0.992 235 D CA 1.464 55.487 54.000 0.038 0.000 0.854 235 D CB 0.026 40.844 40.800 0.030 0.000 0.936 235 D HN 0.713 nan 8.370 nan 0.000 0.462 236 E N -0.572 119.644 120.200 0.028 0.000 2.250 236 E HA 0.089 4.441 4.350 0.005 0.000 0.192 236 E C 0.265 176.879 176.600 0.023 0.000 0.986 236 E CA 0.303 56.718 56.400 0.024 0.000 0.849 236 E CB 0.312 30.023 29.700 0.018 0.000 0.797 236 E HN 0.035 nan 8.360 nan 0.000 0.482 237 N N -0.889 117.823 118.700 0.020 0.000 2.431 237 N HA 0.478 5.221 4.740 0.005 0.000 0.275 237 N C -2.012 173.502 175.510 0.007 0.000 1.091 237 N CA -0.363 52.694 53.050 0.012 0.000 0.922 237 N CB 1.629 40.121 38.487 0.007 0.000 1.666 237 N HN -0.015 nan 8.380 nan 0.000 0.484 238 A N 2.716 125.533 122.820 -0.004 0.000 2.271 238 A HA 0.686 5.009 4.320 0.005 0.000 0.317 238 A C -0.468 177.106 177.584 -0.016 0.000 1.245 238 A CA -0.557 51.471 52.037 -0.015 0.000 0.857 238 A CB 0.420 19.396 19.000 -0.039 0.000 1.175 238 A HN 0.625 nan 8.150 nan 0.000 0.512 239 R N 2.395 122.885 120.500 -0.017 0.000 2.255 239 R HA 0.558 4.901 4.340 0.005 0.000 0.326 239 R C -1.073 175.210 176.300 -0.029 0.000 0.986 239 R CA -0.608 55.483 56.100 -0.016 0.000 0.847 239 R CB 1.108 31.398 30.300 -0.016 0.000 1.111 239 R HN 0.469 nan 8.270 nan 0.000 0.452 240 L N 1.140 122.356 121.223 -0.012 0.000 2.342 240 L HA 0.449 4.792 4.340 0.005 0.000 0.271 240 L C 0.173 177.026 176.870 -0.027 0.000 1.008 240 L CA -0.445 54.377 54.840 -0.031 0.000 0.818 240 L CB 1.773 43.854 42.059 0.036 0.000 1.296 240 L HN 0.526 nan 8.230 nan 0.000 0.427 241 S N 1.655 117.303 115.700 -0.087 0.000 2.566 241 S HA 0.444 4.917 4.470 0.005 0.000 0.324 241 S C -0.393 174.167 174.600 -0.066 0.000 1.081 241 S CA -0.638 57.521 58.200 -0.068 0.000 1.105 241 S CB -0.089 63.054 63.200 -0.096 0.000 0.981 241 S HN 0.635 nan 8.310 nan 0.000 0.464 242 N N 4.066 122.801 118.700 0.059 0.000 2.402 242 N HA 0.200 4.943 4.740 0.005 0.000 0.252 242 N C -0.836 174.773 175.510 0.166 0.000 1.118 242 N CA -0.168 53.000 53.050 0.196 0.000 0.945 242 N CB 0.705 39.367 38.487 0.291 0.000 1.147 242 N HN 0.608 nan 8.380 nan 0.000 0.495 243 E N 2.233 122.545 120.200 0.187 0.000 2.113 243 E HA 0.323 4.676 4.350 0.005 0.000 0.273 243 E C -0.918 175.851 176.600 0.281 0.000 0.924 243 E CA -0.724 55.791 56.400 0.190 0.000 0.764 243 E CB 1.199 30.998 29.700 0.166 0.000 1.104 243 E HN 0.233 nan 8.360 nan 0.000 0.406 244 L N 3.761 125.093 121.223 0.182 0.000 2.329 244 L HA 0.489 4.832 4.340 0.005 0.000 0.279 244 L C -0.472 176.454 176.870 0.094 0.000 1.014 244 L CA -0.402 54.515 54.840 0.127 0.000 0.814 244 L CB 1.395 43.456 42.059 0.003 0.000 1.257 244 L HN 0.517 nan 8.230 nan 0.000 0.424 245 I N 3.332 123.940 120.570 0.062 0.000 2.355 245 I HA 0.451 4.624 4.170 0.005 0.000 0.288 245 I C -0.868 175.210 176.117 -0.066 0.000 0.999 245 I CA -0.719 60.553 61.300 -0.047 0.000 1.163 245 I CB 1.664 39.659 38.000 -0.009 0.000 1.316 245 I HN 0.159 nan 8.210 nan 0.000 0.454 246 V N 5.343 125.194 119.914 -0.106 0.000 2.409 246 V HA 0.326 4.449 4.120 0.005 0.000 0.291 246 V C -0.239 175.808 176.094 -0.078 0.000 1.020 246 V CA -0.714 61.538 62.300 -0.080 0.000 0.848 246 V CB 1.813 33.599 31.823 -0.062 0.000 0.990 246 V HN 0.650 nan 8.190 nan 0.000 0.430 247 N N 4.004 122.669 118.700 -0.059 0.000 2.485 247 N HA 0.187 4.930 4.740 0.005 0.000 0.243 247 N C -0.462 175.059 175.510 0.018 0.000 0.987 247 N CA -0.202 52.832 53.050 -0.027 0.000 0.940 247 N CB 1.161 39.636 38.487 -0.020 0.000 1.122 247 N HN 0.704 nan 8.380 nan 0.000 0.509 248 Q N 3.963 123.780 119.800 0.029 0.000 2.274 248 Q HA 0.221 4.564 4.340 0.005 0.000 0.256 248 Q C 0.137 176.183 176.000 0.078 0.000 0.927 248 Q CA -0.277 55.564 55.803 0.062 0.000 0.939 248 Q CB 1.286 30.045 28.738 0.034 0.000 1.201 248 Q HN 0.731 nan 8.270 nan 0.000 0.426 249 I N 4.385 125.025 120.570 0.116 0.000 3.860 249 I HA -0.013 4.160 4.170 0.005 0.000 0.319 249 I C 0.177 176.316 176.117 0.036 0.000 1.279 249 I CA 0.234 61.587 61.300 0.088 0.000 1.220 249 I CB 0.742 38.810 38.000 0.113 0.000 1.027 249 I HN 0.419 nan 8.210 nan 0.000 0.428 250 V N -1.470 118.463 119.914 0.033 0.000 2.834 250 V HA 0.560 4.683 4.120 0.005 0.000 0.313 250 V C -1.820 174.284 176.094 0.017 0.000 1.060 250 V CA -1.321 60.988 62.300 0.015 0.000 0.989 250 V CB 0.795 32.625 31.823 0.012 0.000 1.041 250 V HN -0.009 nan 8.190 nan 0.000 0.459 251 P HA 0.115 nan 4.420 nan 0.000 0.235 251 P C 0.131 177.438 177.300 0.012 0.000 1.177 251 P CA 0.372 63.480 63.100 0.012 0.000 0.785 251 P CB 0.426 32.132 31.700 0.010 0.000 0.885 252 Q N 0.748 120.554 119.800 0.011 0.000 2.317 252 Q HA 0.283 4.626 4.340 0.005 0.000 0.229 252 Q C 0.057 176.065 176.000 0.012 0.000 0.984 252 Q CA -0.061 55.748 55.803 0.010 0.000 0.911 252 Q CB 0.392 29.136 28.738 0.008 0.000 1.217 252 Q HN -0.024 nan 8.270 nan 0.000 0.501 253 K N 1.046 121.453 120.400 0.010 0.000 2.276 253 K HA 0.337 4.660 4.320 0.005 0.000 0.283 253 K C -0.646 175.960 176.600 0.010 0.000 1.044 253 K CA -0.141 56.153 56.287 0.011 0.000 0.944 253 K CB 0.665 33.171 32.500 0.009 0.000 1.012 253 K HN 0.398 nan 8.250 nan 0.000 0.472 254 I N 5.222 125.799 120.570 0.011 0.000 2.411 254 I HA 0.253 4.426 4.170 0.005 0.000 0.284 254 I C -2.407 173.715 176.117 0.008 0.000 1.012 254 I CA -2.991 58.316 61.300 0.011 0.000 1.119 254 I CB 1.169 39.178 38.000 0.015 0.000 1.261 254 I HN 0.280 nan 8.210 nan 0.000 0.448 255 P HA 0.309 nan 4.420 nan 0.000 0.268 255 P C -0.555 176.747 177.300 0.003 0.000 1.205 255 P CA 0.058 63.160 63.100 0.004 0.000 0.771 255 P CB 1.021 32.723 31.700 0.004 0.000 0.858 256 A N 1.844 124.665 122.820 0.000 0.000 2.609 256 A HA 0.602 4.925 4.320 0.005 0.000 0.291 256 A C -1.354 176.226 177.584 -0.007 0.000 1.096 256 A CA -0.543 51.493 52.037 -0.003 0.000 0.684 256 A CB 1.383 20.381 19.000 -0.003 0.000 1.282 256 A HN 0.483 nan 8.150 nan 0.000 0.412 257 E N 0.860 121.054 120.200 -0.011 0.000 2.199 257 E HA 0.569 4.921 4.350 0.005 0.000 0.265 257 E C -1.514 175.071 176.600 -0.024 0.000 0.882 257 E CA -0.546 55.845 56.400 -0.015 0.000 0.759 257 E CB 1.677 31.369 29.700 -0.013 0.000 1.148 257 E HN 0.452 nan 8.360 nan 0.000 0.412 258 V N 5.380 125.277 119.914 -0.028 0.000 2.432 258 V HA 0.421 4.543 4.120 0.005 0.000 0.275 258 V C 0.122 176.188 176.094 -0.046 0.000 1.043 258 V CA -0.383 61.890 62.300 -0.046 0.000 0.925 258 V CB 0.990 32.784 31.823 -0.048 0.000 0.985 258 V HN 0.638 nan 8.190 nan 0.000 0.466 259 R N 3.514 123.978 120.500 -0.060 0.000 2.621 259 R HA 0.740 5.083 4.340 0.005 0.000 0.292 259 R C -1.624 174.634 176.300 -0.069 0.000 0.969 259 R CA -0.774 55.295 56.100 -0.052 0.000 0.887 259 R CB 2.441 32.716 30.300 -0.042 0.000 1.180 259 R HN 0.469 nan 8.270 nan 0.000 0.450 260 V N 3.056 122.940 119.914 -0.049 0.000 2.409 260 V HA 0.263 4.386 4.120 0.005 0.000 0.291 260 V C -0.254 175.813 176.094 -0.045 0.000 1.020 260 V CA -0.875 61.404 62.300 -0.035 0.000 0.848 260 V CB 1.600 33.437 31.823 0.023 0.000 0.990 260 V HN 0.678 nan 8.190 nan 0.000 0.430 261 N N 4.005 122.675 118.700 -0.050 0.000 2.408 261 N HA 0.484 5.227 4.740 0.005 0.000 0.280 261 N C -1.345 174.068 175.510 -0.161 0.000 1.002 261 N CA -0.219 52.783 53.050 -0.080 0.000 0.907 261 N CB 2.187 40.647 38.487 -0.045 0.000 1.161 261 N HN 0.384 nan 8.380 nan 0.000 0.488 262 V N 2.340 122.101 119.914 -0.255 0.000 2.384 262 V HA 0.438 4.561 4.120 0.005 0.000 0.287 262 V C -0.084 175.921 176.094 -0.149 0.000 1.020 262 V CA -0.464 61.575 62.300 -0.435 0.000 0.850 262 V CB 1.262 32.688 31.823 -0.662 0.000 0.987 262 V HN 0.653 nan 8.190 nan 0.000 0.436 263 S N 4.375 120.048 115.700 -0.045 0.000 2.599 263 S HA 0.831 5.304 4.470 0.005 0.000 0.287 263 S C -1.246 173.388 174.600 0.057 0.000 1.105 263 S CA -0.542 57.671 58.200 0.022 0.000 0.899 263 S CB 2.082 65.286 63.200 0.006 0.000 1.100 263 S HN 0.539 nan 8.310 nan 0.000 0.482 264 L N 2.937 124.152 121.223 -0.014 0.000 2.406 264 L HA 0.546 4.889 4.340 0.005 0.000 0.272 264 L C 0.286 177.107 176.870 -0.081 0.000 0.980 264 L CA 0.129 54.889 54.840 -0.132 0.000 0.831 264 L CB 0.778 42.664 42.059 -0.289 0.000 1.253 264 L HN 0.930 nan 8.230 nan 0.000 0.406 265 N N 3.934 122.593 118.700 -0.069 0.000 2.708 265 N HA -0.228 4.515 4.740 0.005 0.000 0.249 265 N C 0.909 176.406 175.510 -0.021 0.000 1.097 265 N CA 0.852 53.878 53.050 -0.040 0.000 0.710 265 N CB -0.461 37.997 38.487 -0.048 0.000 1.032 265 N HN 1.351 nan 8.380 nan 0.000 0.551 266 G N -1.969 106.824 108.800 -0.013 0.000 2.176 266 G HA2 -0.261 3.702 3.960 0.005 0.000 0.253 266 G HA3 -0.261 3.702 3.960 0.005 0.000 0.253 266 G C 0.036 174.933 174.900 -0.006 0.000 0.979 266 G CA 0.660 45.757 45.100 -0.005 0.000 0.641 266 G HN 0.475 nan 8.290 nan 0.000 0.530 267 T N 1.951 116.500 114.554 -0.009 0.000 2.779 267 T HA 0.549 4.901 4.350 0.005 0.000 0.280 267 T C 0.433 175.133 174.700 -0.001 0.000 0.987 267 T CA 0.159 62.256 62.100 -0.006 0.000 0.966 267 T CB 1.528 70.393 68.868 -0.006 0.000 0.933 267 T HN 0.236 nan 8.240 nan 0.000 0.442 268 T N 2.961 117.513 114.554 -0.004 0.000 2.908 268 T HA 0.090 4.443 4.350 0.005 0.000 0.301 268 T C 1.361 176.062 174.700 0.002 0.000 1.019 268 T CA -0.174 61.921 62.100 -0.008 0.000 1.152 268 T CB 0.638 69.497 68.868 -0.014 0.000 0.966 268 T HN 0.357 nan 8.240 nan 0.000 0.540 269 V N 2.087 122.004 119.914 0.005 0.000 2.908 269 V HA 0.252 4.375 4.120 0.005 0.000 0.240 269 V C 1.124 177.212 176.094 -0.010 0.000 1.117 269 V CA 0.787 63.103 62.300 0.027 0.000 1.133 269 V CB 0.908 32.794 31.823 0.105 0.000 0.857 269 V HN 0.970 nan 8.190 nan 0.000 0.478 270 T N -0.681 113.843 114.554 -0.050 0.000 2.885 270 T HA 0.487 4.840 4.350 0.005 0.000 0.322 270 T C -2.010 172.644 174.700 -0.075 0.000 1.387 270 T CA -0.444 61.622 62.100 -0.057 0.000 1.041 270 T CB 2.242 71.075 68.868 -0.057 0.000 1.287 270 T HN 0.300 nan 8.240 nan 0.000 0.491 271 E N 1.431 121.599 120.200 -0.052 0.000 2.308 271 E HA 0.652 5.005 4.350 0.005 0.000 0.275 271 E C -1.273 175.307 176.600 -0.034 0.000 0.890 271 E CA -0.840 55.532 56.400 -0.048 0.000 0.754 271 E CB 1.978 31.657 29.700 -0.036 0.000 1.207 271 E HN 0.671 nan 8.360 nan 0.000 0.426 272 V N 0.500 120.396 119.914 -0.030 0.000 3.078 272 V HA 0.810 4.933 4.120 0.005 0.000 0.311 272 V C -1.187 174.896 176.094 -0.019 0.000 1.138 272 V CA -0.861 61.428 62.300 -0.019 0.000 1.007 272 V CB 1.816 33.633 31.823 -0.009 0.000 1.045 272 V HN 0.766 nan 8.190 nan 0.000 0.432 273 K N 1.618 122.010 120.400 -0.014 0.000 2.533 273 K HA 0.781 5.104 4.320 0.005 0.000 0.272 273 K C -1.493 175.100 176.600 -0.012 0.000 0.985 273 K CA -0.874 55.403 56.287 -0.016 0.000 0.876 273 K CB 2.656 35.146 32.500 -0.017 0.000 1.452 273 K HN 0.851 nan 8.250 nan 0.000 0.439 274 Q N 1.259 121.051 119.800 -0.013 0.000 2.295 274 Q HA 0.146 4.489 4.340 0.005 0.000 0.268 274 Q C -1.413 174.582 176.000 -0.008 0.000 1.010 274 Q CA -0.706 55.092 55.803 -0.008 0.000 0.856 274 Q CB 2.172 30.907 28.738 -0.005 0.000 1.349 274 Q HN 0.569 nan 8.270 nan 0.000 0.412 275 Q N 1.941 121.738 119.800 -0.005 0.000 2.261 275 Q HA 0.495 4.838 4.340 0.005 0.000 0.252 275 Q C -0.120 175.879 176.000 -0.001 0.000 0.915 275 Q CA -0.223 55.578 55.803 -0.004 0.000 0.915 275 Q CB 1.682 30.419 28.738 -0.002 0.000 1.204 275 Q HN 0.539 nan 8.270 nan 0.000 0.421 276 V N -1.206 118.707 119.914 -0.001 0.000 3.181 276 V HA 0.766 4.889 4.120 0.005 0.000 0.308 276 V C -0.561 175.534 176.094 0.003 0.000 1.214 276 V CA -0.850 61.451 62.300 0.002 0.000 1.053 276 V CB 2.362 34.186 31.823 0.001 0.000 1.069 276 V HN 0.645 nan 8.190 nan 0.000 0.441 277 T N 3.510 118.067 114.554 0.005 0.000 2.833 277 T HA 0.578 4.931 4.350 0.005 0.000 0.297 277 T C -0.307 174.397 174.700 0.007 0.000 1.015 277 T CA -0.233 61.870 62.100 0.006 0.000 0.963 277 T CB 0.692 69.564 68.868 0.007 0.000 0.955 277 T HN 0.665 nan 8.240 nan 0.000 0.449 278 L N 3.928 125.155 121.223 0.006 0.000 2.410 278 L HA 0.256 4.599 4.340 0.005 0.000 0.273 278 L C 0.675 177.550 176.870 0.010 0.000 1.144 278 L CA -0.627 54.217 54.840 0.006 0.000 0.863 278 L CB 0.433 42.495 42.059 0.006 0.000 1.140 278 L HN 0.395 nan 8.230 nan 0.000 0.463 279 Q N 4.009 123.815 119.800 0.010 0.000 2.227 279 Q HA 0.385 4.728 4.340 0.005 0.000 0.245 279 Q C -2.229 173.779 176.000 0.013 0.000 0.926 279 Q CA -2.286 53.524 55.803 0.012 0.000 0.895 279 Q CB 0.781 29.528 28.738 0.015 0.000 1.230 279 Q HN 0.287 nan 8.270 nan 0.000 0.450 280 P HA 0.011 nan 4.420 nan 0.000 0.264 280 P C 0.464 177.775 177.300 0.017 0.000 1.179 280 P CA 1.309 64.421 63.100 0.019 0.000 0.763 280 P CB 0.317 32.028 31.700 0.019 0.000 0.806 281 G N 2.603 111.415 108.800 0.020 0.000 2.553 281 G HA2 -0.209 3.754 3.960 0.005 0.000 0.242 281 G HA3 -0.209 3.754 3.960 0.005 0.000 0.242 281 G C -0.680 174.214 174.900 -0.009 0.000 1.277 281 G CA -0.707 44.401 45.100 0.014 0.000 0.910 281 G HN 0.510 nan 8.290 nan 0.000 0.576 282 I N 2.474 123.028 120.570 -0.025 0.000 2.556 282 I HA 0.250 4.423 4.170 0.005 0.000 0.284 282 I C 0.498 176.540 176.117 -0.124 0.000 1.114 282 I CA -0.221 61.022 61.300 -0.095 0.000 1.418 282 I CB 0.271 38.207 38.000 -0.107 0.000 1.394 282 I HN 0.446 nan 8.210 nan 0.000 0.552 283 N N 5.981 124.569 118.700 -0.187 0.000 2.314 283 N HA 0.331 5.074 4.740 0.005 0.000 0.294 283 N C -0.718 174.629 175.510 -0.272 0.000 1.029 283 N CA -0.599 52.363 53.050 -0.147 0.000 0.845 283 N CB 1.956 40.408 38.487 -0.058 0.000 1.321 283 N HN 0.494 nan 8.380 nan 0.000 0.481 284 H N 2.124 121.208 119.070 0.022 0.000 2.504 284 H HA 0.443 5.002 4.556 0.005 0.000 0.322 284 H C -0.377 174.963 175.328 0.021 0.000 1.055 284 H CA -0.187 55.878 56.048 0.028 0.000 1.231 284 H CB 1.700 31.478 29.762 0.028 0.000 1.417 284 H HN 0.400 nan 8.280 nan 0.000 0.472 285 I N 2.242 122.882 120.570 0.116 0.000 2.498 285 I HA 0.149 4.322 4.170 0.005 0.000 0.290 285 I C -0.117 176.042 176.117 0.071 0.000 1.032 285 I CA -0.173 61.167 61.300 0.066 0.000 1.073 285 I CB 2.171 40.184 38.000 0.021 0.000 1.251 285 I HN 0.421 nan 8.210 nan 0.000 0.426 286 T N 7.095 121.681 114.554 0.053 0.000 2.840 286 T HA 0.651 5.004 4.350 0.005 0.000 0.287 286 T C -0.739 173.979 174.700 0.031 0.000 0.991 286 T CA -0.406 61.722 62.100 0.046 0.000 0.964 286 T CB 0.880 69.770 68.868 0.036 0.000 0.954 286 T HN 0.114 nan 8.240 nan 0.000 0.438 287 L N 6.420 127.666 121.223 0.037 0.000 2.343 287 L HA 0.475 4.818 4.340 0.005 0.000 0.278 287 L C -2.216 174.676 176.870 0.037 0.000 0.996 287 L CA -1.938 52.920 54.840 0.030 0.000 0.831 287 L CB 1.571 43.646 42.059 0.026 0.000 1.232 287 L HN 0.343 nan 8.230 nan 0.000 0.413 288 P HA 0.449 nan 4.420 nan 0.000 0.275 288 P C -1.118 176.199 177.300 0.029 0.000 1.228 288 P CA -0.341 62.771 63.100 0.020 0.000 0.786 288 P CB 1.774 33.477 31.700 0.006 0.000 0.927 289 A N 1.987 124.831 122.820 0.040 0.000 2.539 289 A HA 0.631 4.954 4.320 0.005 0.000 0.296 289 A C -1.031 176.567 177.584 0.024 0.000 1.073 289 A CA -0.603 51.453 52.037 0.033 0.000 0.700 289 A CB 1.583 20.615 19.000 0.054 0.000 1.296 289 A HN 0.532 nan 8.150 nan 0.000 0.405 290 E N 0.207 120.407 120.200 -0.000 0.000 2.288 290 E HA 0.564 4.917 4.350 0.005 0.000 0.268 290 E C -1.527 175.057 176.600 -0.027 0.000 0.885 290 E CA -0.925 55.470 56.400 -0.008 0.000 0.767 290 E CB 2.643 32.339 29.700 -0.006 0.000 1.220 290 E HN 0.315 nan 8.360 nan 0.000 0.427 291 V N 2.248 122.140 119.914 -0.036 0.000 2.350 291 V HA 0.207 4.330 4.120 0.005 0.000 0.285 291 V C 0.260 176.347 176.094 -0.011 0.000 1.014 291 V CA -0.764 61.506 62.300 -0.049 0.000 0.831 291 V CB 1.186 32.918 31.823 -0.152 0.000 1.000 291 V HN 0.840 nan 8.190 nan 0.000 0.433 292 T N 1.373 115.933 114.554 0.011 0.000 2.899 292 T HA 0.279 4.632 4.350 0.005 0.000 0.295 292 T C 0.447 175.174 174.700 0.045 0.000 1.033 292 T CA -0.253 61.861 62.100 0.023 0.000 1.084 292 T CB -0.012 68.869 68.868 0.021 0.000 0.979 292 T HN 0.780 nan 8.240 nan 0.000 0.532 293 N N 1.230 119.957 118.700 0.044 0.000 2.686 293 N HA -0.122 4.621 4.740 0.005 0.000 0.261 293 N C -2.573 172.993 175.510 0.093 0.000 1.001 293 N CA 0.238 53.323 53.050 0.058 0.000 0.764 293 N CB -1.011 37.506 38.487 0.051 0.000 0.898 293 N HN 0.638 nan 8.380 nan 0.000 0.544 294 P HA 0.075 nan 4.420 nan 0.000 0.271 294 P C -0.148 177.278 177.300 0.210 0.000 1.218 294 P CA -0.126 63.067 63.100 0.155 0.000 0.780 294 P CB 0.960 32.705 31.700 0.074 0.000 0.901 295 V N 4.802 124.920 119.914 0.340 0.000 2.368 295 V HA 0.197 4.320 4.120 0.005 0.000 0.266 295 V C 1.209 177.482 176.094 0.298 0.000 1.045 295 V CA -0.376 62.071 62.300 0.245 0.000 0.899 295 V CB -0.024 31.893 31.823 0.157 0.000 1.006 295 V HN 0.470 nan 8.190 nan 0.000 0.470 296 R N 3.016 123.647 120.500 0.218 0.000 2.594 296 R HA 0.130 4.473 4.340 0.005 0.000 0.272 296 R C -0.435 176.038 176.300 0.289 0.000 1.074 296 R CA -0.406 55.845 56.100 0.251 0.000 1.105 296 R CB 0.927 31.345 30.300 0.197 0.000 1.008 296 R HN 0.758 nan 8.270 nan 0.000 0.472 297 W N 4.688 126.071 121.300 0.139 0.000 2.304 297 W HA 0.121 4.784 4.660 0.004 0.000 0.313 297 W C -0.785 175.806 176.519 0.121 0.000 1.323 297 W CA -0.120 57.295 57.345 0.117 0.000 1.223 297 W CB 0.621 30.145 29.460 0.106 0.000 1.237 297 W HN 0.253 nan 8.180 nan 0.000 0.535 298 M N 9.292 128.714 119.600 -0.296 0.000 2.528 298 M HA 0.343 4.826 4.480 0.005 0.000 0.321 298 M C -2.038 173.819 176.300 -0.738 0.000 1.153 298 M CA -2.309 52.834 55.300 -0.263 0.000 0.951 298 M CB 1.821 34.412 32.600 -0.015 0.000 1.705 298 M HN 0.261 nan 8.290 nan 0.000 0.451 299 P HA 0.074 nan 4.420 nan 0.000 0.274 299 P C -0.586 176.507 177.300 -0.346 0.000 1.246 299 P CA -0.379 62.405 63.100 -0.526 0.000 0.795 299 P CB 0.304 31.816 31.700 -0.312 0.000 1.006 300 N N 0.278 118.803 118.700 -0.291 0.000 2.359 300 N HA 0.149 4.892 4.740 0.005 0.000 0.261 300 N C 1.431 176.843 175.510 -0.164 0.000 1.267 300 N CA 2.141 55.082 53.050 -0.182 0.000 0.864 300 N CB -0.607 37.805 38.487 -0.126 0.000 1.063 300 N HN 0.754 nan 8.380 nan 0.000 0.474 301 G N 2.474 111.237 108.800 -0.062 0.000 2.254 301 G HA2 -0.225 3.738 3.960 0.005 0.000 0.225 301 G HA3 -0.225 3.738 3.960 0.005 0.000 0.225 301 G C 0.308 175.344 174.900 0.226 0.000 1.003 301 G CA 0.114 45.227 45.100 0.021 0.000 0.622 301 G HN 0.567 nan 8.290 nan 0.000 0.507 302 W N 1.760 123.019 121.300 -0.068 0.000 2.862 302 W HA 0.603 5.268 4.660 0.008 0.000 0.376 302 W C 1.169 177.646 176.519 -0.069 0.000 1.028 302 W CA 0.305 57.618 57.345 -0.052 0.000 1.757 302 W CB 0.361 29.797 29.460 -0.041 0.000 1.128 302 W HN 1.131 nan 8.180 nan 0.000 0.566 303 G N -0.305 108.557 108.800 0.103 0.000 2.291 303 G HA2 0.053 4.016 3.960 0.005 0.000 0.249 303 G HA3 0.053 4.016 3.960 0.005 0.000 0.249 303 G C -0.895 173.971 174.900 -0.057 0.000 1.340 303 G CA -0.874 44.239 45.100 0.021 0.000 1.017 303 G HN -0.261 nan 8.290 nan 0.000 0.470 304 T N 3.189 117.700 114.554 -0.070 0.000 2.845 304 T HA 0.587 4.940 4.350 0.005 0.000 0.288 304 T C -2.273 172.299 174.700 -0.214 0.000 0.980 304 T CA -0.784 61.253 62.100 -0.106 0.000 1.071 304 T CB 2.066 70.904 68.868 -0.050 0.000 0.941 304 T HN 0.434 nan 8.240 nan 0.000 0.487 305 P HA 0.158 nan 4.420 nan 0.000 0.214 305 P C -0.320 176.963 177.300 -0.028 0.000 1.826 305 P CA -0.428 62.351 63.100 -0.534 0.000 0.977 305 P CB -0.788 30.656 31.700 -0.425 0.000 1.930 306 T N 2.796 117.385 114.554 0.059 0.000 2.902 306 T HA 0.164 4.517 4.350 0.005 0.000 0.301 306 T C 0.445 175.329 174.700 0.306 0.000 1.012 306 T CA 0.622 62.804 62.100 0.136 0.000 1.151 306 T CB 0.129 69.057 68.868 0.100 0.000 0.946 306 T HN 0.182 nan 8.240 nan 0.000 0.542 307 L N 3.744 125.079 121.223 0.186 0.000 2.376 307 L HA 0.459 4.802 4.340 0.005 0.000 0.275 307 L C -0.534 176.417 176.870 0.134 0.000 0.987 307 L CA -1.076 53.904 54.840 0.233 0.000 0.828 307 L CB 1.196 43.376 42.059 0.202 0.000 1.249 307 L HN 0.636 nan 8.230 nan 0.000 0.409 308 Y N 1.084 121.504 120.300 0.201 0.000 2.314 308 Y HA 0.149 4.702 4.550 0.004 0.000 0.334 308 Y C 0.406 176.459 175.900 0.255 0.000 1.266 308 Y CA -0.206 58.029 58.100 0.225 0.000 1.391 308 Y CB 0.803 39.477 38.460 0.357 0.000 1.306 308 Y HN 0.442 nan 8.280 nan 0.000 0.558 309 D N 2.140 122.743 120.400 0.338 0.000 2.349 309 D HA 0.197 4.840 4.640 0.005 0.000 0.232 309 D C -1.309 175.168 176.300 0.294 0.000 1.071 309 D CA -0.150 54.017 54.000 0.278 0.000 0.832 309 D CB 0.878 41.761 40.800 0.139 0.000 1.086 309 D HN 0.208 nan 8.370 nan 0.000 0.504 310 F N 1.164 121.201 119.950 0.146 0.000 2.385 310 F HA 0.211 4.741 4.527 0.004 0.000 0.360 310 F C 0.824 176.763 175.800 0.233 0.000 1.122 310 F CA -0.590 57.520 58.000 0.184 0.000 1.090 310 F CB 1.750 40.854 39.000 0.174 0.000 1.150 310 F HN 0.018 nan 8.300 nan 0.000 0.472 311 S N 3.120 118.976 115.700 0.259 0.000 2.498 311 S HA 0.852 5.325 4.470 0.005 0.000 0.317 311 S C -0.714 173.902 174.600 0.026 0.000 1.090 311 S CA -0.500 57.790 58.200 0.150 0.000 1.089 311 S CB 0.725 63.959 63.200 0.057 0.000 0.997 311 S HN 0.743 nan 8.310 nan 0.000 0.470 312 A N 4.693 127.424 122.820 -0.148 0.000 2.288 312 A HA 0.732 5.055 4.320 0.005 0.000 0.320 312 A C -0.487 176.970 177.584 -0.210 0.000 1.217 312 A CA -0.632 51.196 52.037 -0.348 0.000 0.840 312 A CB 0.772 19.215 19.000 -0.928 0.000 1.179 312 A HN 0.847 nan 8.150 nan 0.000 0.504 313 Q N 1.438 121.151 119.800 -0.146 0.000 2.394 313 Q HA 0.553 4.896 4.340 0.005 0.000 0.273 313 Q C -1.199 174.749 176.000 -0.086 0.000 1.089 313 Q CA -0.881 54.864 55.803 -0.097 0.000 0.812 313 Q CB 2.515 31.217 28.738 -0.059 0.000 1.353 313 Q HN 0.597 nan 8.270 nan 0.000 0.438 314 I N 1.691 122.221 120.570 -0.066 0.000 2.330 314 I HA 0.526 4.699 4.170 0.005 0.000 0.289 314 I C -0.431 175.671 176.117 -0.025 0.000 1.001 314 I CA -0.529 60.744 61.300 -0.046 0.000 1.193 314 I CB 0.783 38.759 38.000 -0.041 0.000 1.345 314 I HN 0.639 nan 8.210 nan 0.000 0.461 315 A N 6.226 129.034 122.820 -0.020 0.000 2.303 315 A HA 0.640 4.963 4.320 0.005 0.000 0.320 315 A C -0.688 176.894 177.584 -0.004 0.000 1.192 315 A CA -0.353 51.678 52.037 -0.010 0.000 0.821 315 A CB 0.809 19.801 19.000 -0.013 0.000 1.188 315 A HN 0.750 nan 8.150 nan 0.000 0.492 316 C N 2.853 122.155 119.300 0.003 0.000 2.335 316 C HA 0.744 5.207 4.460 0.005 0.000 0.318 316 C C 1.139 176.133 174.990 0.006 0.000 1.150 316 C CA 0.046 59.068 59.018 0.006 0.000 1.466 316 C CB -0.383 27.365 27.740 0.013 0.000 2.024 316 C HN 1.775 nan 8.230 nan 0.000 0.429 320 I N 4.456 125.030 120.570 0.007 0.000 2.281 320 I HA 0.052 4.225 4.170 0.005 0.000 0.293 320 I C 1.862 177.987 176.117 0.013 0.000 1.085 320 I CA -0.431 60.870 61.300 0.002 0.000 1.257 320 I CB 0.999 38.997 38.000 -0.004 0.000 1.430 320 I HN 0.712 nan 8.210 nan 0.000 0.489 321 V N 3.516 123.441 119.914 0.018 0.000 2.719 321 V HA 0.332 4.455 4.120 0.005 0.000 0.252 321 V C 0.868 176.982 176.094 0.032 0.000 1.065 321 V CA 0.769 63.095 62.300 0.043 0.000 1.086 321 V CB -0.352 31.506 31.823 0.059 0.000 0.700 321 V HN 0.694 nan 8.190 nan 0.000 0.467 322 A N -0.290 122.527 122.820 -0.005 0.000 2.517 322 A HA 0.766 5.089 4.320 0.005 0.000 0.297 322 A C -0.948 176.604 177.584 -0.053 0.000 1.050 322 A CA -0.458 51.555 52.037 -0.039 0.000 0.694 322 A CB 2.012 20.971 19.000 -0.068 0.000 1.277 322 A HN 0.272 nan 8.150 nan 0.000 0.400 323 E N 0.909 121.075 120.200 -0.057 0.000 2.356 323 E HA 0.606 4.959 4.350 0.005 0.000 0.275 323 E C -1.771 174.789 176.600 -0.067 0.000 0.904 323 E CA -0.324 56.037 56.400 -0.064 0.000 0.757 323 E CB 2.276 31.953 29.700 -0.039 0.000 1.232 323 E HN 0.708 nan 8.360 nan 0.000 0.442 324 Q N 1.182 120.935 119.800 -0.077 0.000 2.309 324 Q HA 0.515 4.858 4.340 0.005 0.000 0.273 324 Q C -1.907 174.095 176.000 0.003 0.000 1.040 324 Q CA -0.393 55.377 55.803 -0.056 0.000 0.834 324 Q CB 2.002 30.717 28.738 -0.038 0.000 1.345 324 Q HN 0.359 nan 8.270 nan 0.000 0.414 325 S N 2.488 118.153 115.700 -0.059 0.000 2.566 325 S HA 0.724 5.197 4.470 0.005 0.000 0.298 325 S C -1.378 173.075 174.600 -0.245 0.000 1.083 325 S CA -0.740 57.462 58.200 0.003 0.000 0.978 325 S CB 0.983 64.207 63.200 0.041 0.000 1.073 325 S HN 0.585 nan 8.310 nan 0.000 0.491 326 H N 0.890 120.022 119.070 0.103 0.000 2.851 326 H HA 0.412 4.971 4.556 0.005 0.000 0.372 326 H C -0.506 174.834 175.328 0.020 0.000 1.158 326 H CA -0.694 55.325 56.048 -0.049 0.000 1.159 326 H CB 1.366 30.976 29.762 -0.254 0.000 1.757 326 H HN 0.417 nan 8.280 nan 0.000 0.546 327 R N 1.750 122.325 120.500 0.124 0.000 2.340 327 R HA 0.367 4.710 4.340 0.005 0.000 0.300 327 R C -0.254 176.060 176.300 0.023 0.000 1.069 327 R CA -0.493 55.678 56.100 0.118 0.000 0.984 327 R CB 0.823 31.182 30.300 0.098 0.000 1.003 327 R HN 0.309 nan 8.270 nan 0.000 0.459 328 I N 1.645 122.264 120.570 0.081 0.000 2.466 328 I HA 0.293 4.466 4.170 0.005 0.000 0.289 328 I C 0.493 176.650 176.117 0.066 0.000 1.026 328 I CA -0.532 60.716 61.300 -0.087 0.000 1.078 328 I CB 1.725 39.466 38.000 -0.432 0.000 1.249 328 I HN 0.690 nan 8.210 nan 0.000 0.429 329 G N 6.572 115.316 108.800 -0.093 0.000 2.343 329 G HA2 0.635 4.598 3.960 0.005 0.000 0.319 329 G HA3 0.635 4.598 3.960 0.005 0.000 0.319 329 G C -0.681 174.221 174.900 0.005 0.000 1.126 329 G CA -0.493 44.605 45.100 -0.004 0.000 0.889 329 G HN 0.477 nan 8.290 nan 0.000 0.457 330 L N 4.158 125.495 121.223 0.189 0.000 2.259 330 L HA 0.583 4.926 4.340 0.005 0.000 0.288 330 L C 0.349 177.325 176.870 0.178 0.000 1.051 330 L CA -0.809 54.097 54.840 0.109 0.000 0.824 330 L CB 0.301 42.415 42.059 0.091 0.000 1.206 330 L HN 0.624 nan 8.230 nan 0.000 0.429 331 R N 1.686 122.255 120.500 0.114 0.000 2.716 331 R HA 0.532 4.875 4.340 0.005 0.000 0.271 331 R C -1.176 175.185 176.300 0.101 0.000 1.028 331 R CA -0.700 55.505 56.100 0.175 0.000 0.883 331 R CB 1.296 31.794 30.300 0.330 0.000 1.250 331 R HN 0.340 nan 8.270 nan 0.000 0.465 332 T N -0.768 113.863 114.554 0.127 0.000 2.824 332 T HA 0.731 5.084 4.350 0.005 0.000 0.280 332 T C 0.283 175.058 174.700 0.125 0.000 0.995 332 T CA -0.762 61.394 62.100 0.093 0.000 1.009 332 T CB 0.931 69.846 68.868 0.078 0.000 0.955 332 T HN 0.476 nan 8.240 nan 0.000 0.452 333 I N 2.438 123.061 120.570 0.090 0.000 2.447 333 I HA 0.491 4.664 4.170 0.005 0.000 0.287 333 I C -0.067 176.074 176.117 0.041 0.000 1.023 333 I CA -0.884 60.482 61.300 0.109 0.000 1.083 333 I CB 2.060 40.134 38.000 0.124 0.000 1.245 333 I HN 0.609 nan 8.210 nan 0.000 0.434 334 R N 5.777 126.276 120.500 -0.002 0.000 2.534 334 R HA 0.663 5.006 4.340 0.005 0.000 0.301 334 R C -1.664 174.426 176.300 -0.349 0.000 0.961 334 R CA -0.528 55.492 56.100 -0.132 0.000 0.871 334 R CB 1.994 32.230 30.300 -0.107 0.000 1.170 334 R HN 0.414 nan 8.270 nan 0.000 0.446 335 V N 5.349 124.900 119.914 -0.605 0.000 2.406 335 V HA 0.237 4.360 4.120 0.005 0.000 0.272 335 V C -0.175 175.265 176.094 -1.089 0.000 1.043 335 V CA -0.625 60.956 62.300 -1.198 0.000 0.915 335 V CB 1.461 32.118 31.823 -1.943 0.000 0.988 335 V HN 0.508 nan 8.190 nan 0.000 0.466 336 V N 5.641 124.864 119.914 -1.152 0.000 2.348 336 V HA 0.357 4.480 4.120 0.005 0.000 0.270 336 V C 0.367 175.949 176.094 -0.854 0.000 1.037 336 V CA -0.350 61.380 62.300 -0.951 0.000 0.872 336 V CB 1.014 32.096 31.823 -1.234 0.000 1.002 336 V HN 0.951 nan 8.190 nan 0.000 0.464 337 N N 4.627 122.993 118.700 -0.557 0.000 2.716 337 N HA 0.356 5.099 4.740 0.005 0.000 0.253 337 N C -0.929 174.519 175.510 -0.103 0.000 1.170 337 N CA -0.309 52.560 53.050 -0.301 0.000 0.807 337 N CB 1.182 39.485 38.487 -0.306 0.000 1.183 337 N HN 0.751 nan 8.380 nan 0.000 0.524 338 E N 1.638 121.813 120.200 -0.042 0.000 2.314 338 E HA 0.270 4.623 4.350 0.005 0.000 0.272 338 E C -0.886 175.750 176.600 0.060 0.000 0.884 338 E CA -0.852 55.551 56.400 0.005 0.000 0.753 338 E CB 2.467 32.159 29.700 -0.012 0.000 1.213 338 E HN 0.283 nan 8.360 nan 0.000 0.432 339 K N 2.335 122.775 120.400 0.067 0.000 2.448 339 K HA 0.064 4.387 4.320 0.005 0.000 0.278 339 K C -0.421 176.224 176.600 0.076 0.000 1.009 339 K CA 0.578 56.914 56.287 0.080 0.000 0.995 339 K CB 0.153 32.697 32.500 0.072 0.000 0.917 339 K HN 0.514 nan 8.250 nan 0.000 0.481 340 D N 0.067 120.518 120.400 0.084 0.000 2.759 340 D HA 0.039 4.682 4.640 0.005 0.000 0.321 340 D C 0.310 176.663 176.300 0.087 0.000 1.267 340 D CA -0.932 53.118 54.000 0.084 0.000 0.933 340 D CB 0.307 41.163 40.800 0.092 0.000 1.431 340 D HN 0.352 nan 8.370 nan 0.000 0.504 341 K N -0.828 119.626 120.400 0.090 0.000 2.209 341 K HA -0.100 4.223 4.320 0.005 0.000 0.204 341 K C 0.192 176.863 176.600 0.118 0.000 1.048 341 K CA 1.319 57.663 56.287 0.095 0.000 0.940 341 K CB -0.215 32.341 32.500 0.094 0.000 0.729 341 K HN 0.240 nan 8.250 nan 0.000 0.451 342 D N 0.071 120.549 120.400 0.130 0.000 2.350 342 D HA 0.114 4.757 4.640 0.005 0.000 0.213 342 D C 1.047 177.427 176.300 0.134 0.000 1.031 342 D CA 0.955 55.059 54.000 0.174 0.000 0.861 342 D CB 1.224 42.153 40.800 0.213 0.000 0.926 342 D HN 0.536 nan 8.370 nan 0.000 0.520 343 G N 0.862 109.725 108.800 0.105 0.000 1.695 343 G HA2 -0.116 3.847 3.960 0.005 0.000 0.089 343 G HA3 -0.116 3.847 3.960 0.005 0.000 0.089 343 G C -0.992 173.974 174.900 0.110 0.000 1.061 343 G CA -0.702 44.462 45.100 0.105 0.000 1.207 343 G HN 0.153 nan 8.290 nan 0.000 0.389 344 E N 1.106 121.379 120.200 0.122 0.000 2.281 344 E HA 0.510 4.863 4.350 0.005 0.000 0.266 344 E C -0.121 176.582 176.600 0.172 0.000 0.893 344 E CA -0.069 56.430 56.400 0.165 0.000 0.798 344 E CB 2.039 31.893 29.700 0.257 0.000 1.245 344 E HN 0.737 nan 8.360 nan 0.000 0.410 345 S N 2.235 118.024 115.700 0.149 0.000 2.580 345 S HA 0.335 4.808 4.470 0.005 0.000 0.266 345 S C -0.212 174.526 174.600 0.230 0.000 1.354 345 S CA -0.277 58.034 58.200 0.185 0.000 1.008 345 S CB 0.577 63.911 63.200 0.224 0.000 0.898 345 S HN 0.506 nan 8.310 nan 0.000 0.555 346 F N 2.893 122.891 119.950 0.080 0.000 3.287 346 F HA 0.478 5.008 4.527 0.005 0.000 0.379 346 F C -1.274 174.534 175.800 0.013 0.000 1.268 346 F CA -0.680 57.272 58.000 -0.080 0.000 1.220 346 F CB 0.744 39.742 39.000 -0.003 0.000 1.687 346 F HN 0.832 nan 8.300 nan 0.000 0.648 347 Y N 2.146 122.209 120.300 -0.396 0.000 2.670 347 Y HA 0.761 5.314 4.550 0.004 0.000 0.334 347 Y C -2.166 173.474 175.900 -0.434 0.000 1.185 347 Y CA -2.411 55.602 58.100 -0.144 0.000 1.053 347 Y CB 1.077 39.592 38.460 0.090 0.000 1.298 347 Y HN 0.200 nan 8.280 nan 0.000 0.459 348 F N 1.275 121.299 119.950 0.123 0.000 2.436 348 F HA 0.465 4.994 4.527 0.004 0.000 0.340 348 F C -0.010 175.906 175.800 0.193 0.000 1.113 348 F CA -0.541 57.457 58.000 -0.004 0.000 1.022 348 F CB 1.912 40.926 39.000 0.023 0.000 1.128 348 F HN 0.539 nan 8.300 nan 0.000 0.466 349 E N 2.697 123.034 120.200 0.227 0.000 2.113 349 E HA 0.525 4.878 4.350 0.005 0.000 0.273 349 E C -1.446 175.312 176.600 0.264 0.000 0.924 349 E CA -0.534 56.036 56.400 0.284 0.000 0.764 349 E CB 1.508 31.318 29.700 0.185 0.000 1.104 349 E HN 0.357 nan 8.360 nan 0.000 0.406 350 V N 5.264 125.390 119.914 0.354 0.000 2.409 350 V HA 0.194 4.317 4.120 0.005 0.000 0.291 350 V C 0.075 176.388 176.094 0.365 0.000 1.020 350 V CA -0.945 61.569 62.300 0.357 0.000 0.848 350 V CB 1.464 33.505 31.823 0.364 0.000 0.990 350 V HN 0.831 nan 8.190 nan 0.000 0.430 351 N N 3.945 122.803 118.700 0.264 0.000 2.721 351 N HA -0.219 4.524 4.740 0.005 0.000 0.249 351 N C 1.205 176.805 175.510 0.150 0.000 1.072 351 N CA 1.539 54.709 53.050 0.199 0.000 0.710 351 N CB -1.022 37.593 38.487 0.214 0.000 0.993 351 N HN 1.552 nan 8.380 nan 0.000 0.547 352 G N -1.420 107.471 108.800 0.150 0.000 2.179 352 G HA2 -0.317 3.646 3.960 0.005 0.000 0.260 352 G HA3 -0.317 3.646 3.960 0.005 0.000 0.260 352 G C 0.057 175.037 174.900 0.133 0.000 0.977 352 G CA 0.562 45.733 45.100 0.119 0.000 0.641 352 G HN 0.510 nan 8.290 nan 0.000 0.533 353 I N 1.200 121.885 120.570 0.191 0.000 2.406 353 I HA 0.394 4.567 4.170 0.005 0.000 0.290 353 I C -2.392 173.958 176.117 0.388 0.000 0.999 353 I CA -2.765 58.651 61.300 0.192 0.000 1.124 353 I CB 2.335 40.322 38.000 -0.022 0.000 1.289 353 I HN -0.217 nan 8.210 nan 0.000 0.441 354 P HA 0.095 nan 4.420 nan 0.000 0.267 354 P C -0.792 176.793 177.300 0.475 0.000 1.209 354 P CA 0.015 63.325 63.100 0.350 0.000 0.763 354 P CB 0.451 32.195 31.700 0.073 0.000 0.816 355 M N 5.429 125.278 119.600 0.414 0.000 2.125 355 M HA 0.379 4.862 4.480 0.005 0.000 0.321 355 M C -1.086 175.318 176.300 0.173 0.000 0.983 355 M CA -1.143 54.275 55.300 0.196 0.000 0.934 355 M CB 0.585 33.080 32.600 -0.174 0.000 1.542 355 M HN 0.133 nan 8.290 nan 0.000 0.424 356 F N 4.474 124.454 119.950 0.049 0.000 2.533 356 F HA 0.427 4.956 4.527 0.004 0.000 0.378 356 F C 0.183 175.929 175.800 -0.091 0.000 1.070 356 F CA -0.129 57.885 58.000 0.023 0.000 1.172 356 F CB 0.499 39.503 39.000 0.006 0.000 1.085 356 F HN 0.676 nan 8.300 nan 0.000 0.552 357 A N 7.019 129.574 122.820 -0.443 0.000 2.401 357 A HA 0.436 4.759 4.320 0.005 0.000 0.259 357 A C -0.467 176.853 177.584 -0.441 0.000 1.103 357 A CA -0.496 51.334 52.037 -0.345 0.000 0.789 357 A CB 0.249 19.180 19.000 -0.114 0.000 1.035 357 A HN 0.816 nan 8.150 nan 0.000 0.491 358 K N 1.997 122.126 120.400 -0.452 0.000 2.613 358 K HA 0.585 4.908 4.320 0.005 0.000 0.248 358 K C 0.063 176.215 176.600 -0.747 0.000 0.959 358 K CA -0.058 55.691 56.287 -0.897 0.000 0.855 358 K CB 2.070 33.740 32.500 -1.382 0.000 1.143 358 K HN 1.041 nan 8.250 nan 0.000 0.437 359 G N 1.036 109.597 108.800 -0.398 0.000 2.474 359 G HA2 0.734 4.697 3.960 0.005 0.000 0.234 359 G HA3 0.734 4.697 3.960 0.005 0.000 0.234 359 G C -1.798 172.951 174.900 -0.251 0.000 1.204 359 G CA -0.190 44.790 45.100 -0.199 0.000 0.939 359 G HN 0.605 nan 8.290 nan 0.000 0.491 360 A N -0.881 121.689 122.820 -0.418 0.000 2.609 360 A HA 0.756 5.079 4.320 0.005 0.000 0.291 360 A C -1.153 176.152 177.584 -0.464 0.000 1.096 360 A CA -0.730 50.877 52.037 -0.717 0.000 0.684 360 A CB 1.131 19.423 19.000 -1.180 0.000 1.282 360 A HN 0.545 nan 8.150 nan 0.000 0.412 361 N N 0.743 119.130 118.700 -0.521 0.000 2.444 361 N HA 0.319 5.062 4.740 0.005 0.000 0.271 361 N C -1.514 173.661 175.510 -0.559 0.000 1.069 361 N CA 0.294 53.080 53.050 -0.440 0.000 0.965 361 N CB 1.301 39.537 38.487 -0.418 0.000 1.092 361 N HN 0.642 nan 8.380 nan 0.000 0.476 362 Y N 3.676 123.705 120.300 -0.453 0.000 2.360 362 Y HA 0.483 5.036 4.550 0.005 0.000 0.337 362 Y C -0.087 175.568 175.900 -0.409 0.000 1.039 362 Y CA -0.862 56.980 58.100 -0.431 0.000 1.109 362 Y CB 0.667 38.985 38.460 -0.236 0.000 1.201 362 Y HN 0.450 nan 8.280 nan 0.000 0.458 363 I N 3.445 123.318 120.570 -1.160 0.000 3.133 363 I HA 0.759 4.932 4.170 0.005 0.000 0.311 363 I C -2.802 172.551 176.117 -1.273 0.000 1.072 363 I CA -3.277 57.412 61.300 -1.018 0.000 1.015 363 I CB 1.853 39.094 38.000 -1.266 0.000 1.233 363 I HN 0.376 nan 8.210 nan 0.000 0.473 364 P HA 0.098 nan 4.420 nan 0.000 0.266 364 P C -0.571 176.435 177.300 -0.491 0.000 1.195 364 P CA 0.108 62.832 63.100 -0.625 0.000 0.768 364 P CB 0.466 31.693 31.700 -0.787 0.000 0.838 365 Q N 0.465 120.100 119.800 -0.275 0.000 2.472 365 Q HA 0.024 4.367 4.340 0.005 0.000 0.208 365 Q C 0.173 176.219 176.000 0.076 0.000 0.958 365 Q CA 0.917 56.625 55.803 -0.158 0.000 0.932 365 Q CB 0.238 28.880 28.738 -0.161 0.000 1.007 365 Q HN 0.508 nan 8.270 nan 0.000 0.508 366 D N -2.414 118.070 120.400 0.140 0.000 2.706 366 D HA 0.209 4.852 4.640 0.005 0.000 0.225 366 D C -0.370 176.135 176.300 0.342 0.000 1.241 366 D CA -0.031 54.159 54.000 0.317 0.000 0.784 366 D CB 1.495 42.498 40.800 0.338 0.000 1.521 366 D HN -0.061 nan 8.370 nan 0.000 0.461 367 A N 2.562 125.590 122.820 0.348 0.000 2.024 367 A HA -0.019 4.304 4.320 0.005 0.000 0.220 367 A C 1.014 178.658 177.584 0.100 0.000 1.164 367 A CA 1.057 53.224 52.037 0.218 0.000 0.643 367 A CB -0.136 18.980 19.000 0.194 0.000 0.806 367 A HN 0.479 nan 8.150 nan 0.000 0.451 368 L N 0.303 121.618 121.223 0.152 0.000 2.337 368 L HA 0.301 4.644 4.340 0.005 0.000 0.269 368 L C 0.587 177.548 176.870 0.153 0.000 1.018 368 L CA -0.514 54.366 54.840 0.067 0.000 0.876 368 L CB 1.381 43.441 42.059 0.001 0.000 1.236 368 L HN 0.208 nan 8.230 nan 0.000 0.436 369 L N 3.227 124.561 121.223 0.185 0.000 2.042 369 L HA -0.132 4.211 4.340 0.005 0.000 0.210 369 L C -0.464 176.588 176.870 0.302 0.000 1.076 369 L CA 1.525 56.540 54.840 0.293 0.000 0.749 369 L CB -1.101 41.198 42.059 0.400 0.000 0.893 369 L HN 0.517 nan 8.230 nan 0.000 0.432 370 P HA -0.056 nan 4.420 nan 0.000 0.230 370 P C 0.706 178.097 177.300 0.150 0.000 1.158 370 P CA 0.869 64.085 63.100 0.194 0.000 0.769 370 P CB -0.061 31.711 31.700 0.120 0.000 0.807 371 N N -0.909 117.877 118.700 0.144 0.000 2.512 371 N HA -0.027 4.716 4.740 0.005 0.000 0.183 371 N C 0.056 175.653 175.510 0.145 0.000 1.073 371 N CA 0.414 53.542 53.050 0.130 0.000 0.911 371 N CB -0.430 38.135 38.487 0.130 0.000 0.964 371 N HN 0.030 nan 8.380 nan 0.000 0.447 372 V N 2.194 122.211 119.914 0.172 0.000 2.439 372 V HA 0.097 4.220 4.120 0.005 0.000 0.271 372 V C 0.852 177.083 176.094 0.229 0.000 1.040 372 V CA -0.448 61.934 62.300 0.137 0.000 1.002 372 V CB 0.135 31.985 31.823 0.045 0.000 1.000 372 V HN 0.223 nan 8.190 nan 0.000 0.477 373 T N 1.036 115.693 114.554 0.172 0.000 2.899 373 T HA 0.179 4.532 4.350 0.005 0.000 0.284 373 T C 1.362 176.235 174.700 0.288 0.000 1.004 373 T CA -0.049 62.166 62.100 0.193 0.000 1.043 373 T CB 1.291 70.232 68.868 0.121 0.000 1.013 373 T HN 0.554 nan 8.240 nan 0.000 0.518 374 T N 0.541 115.234 114.554 0.232 0.000 2.685 374 T HA -0.188 4.165 4.350 0.005 0.000 0.268 374 T C 1.687 176.509 174.700 0.203 0.000 1.034 374 T CA 1.998 64.225 62.100 0.211 0.000 1.149 374 T CB -0.441 68.492 68.868 0.109 0.000 0.860 374 T HN 0.875 nan 8.240 nan 0.000 0.449 375 E N 0.739 121.025 120.200 0.143 0.000 2.150 375 E HA -0.154 4.199 4.350 0.005 0.000 0.193 375 E C 2.331 178.996 176.600 0.107 0.000 0.985 375 E CA 0.825 57.290 56.400 0.108 0.000 0.814 375 E CB -0.012 29.733 29.700 0.076 0.000 0.752 375 E HN 0.441 nan 8.360 nan 0.000 0.466 376 R N -0.726 119.833 120.500 0.098 0.000 2.075 376 R HA -0.124 4.219 4.340 0.005 0.000 0.232 376 R C 2.292 178.613 176.300 0.036 0.000 1.126 376 R CA 1.673 57.787 56.100 0.023 0.000 0.963 376 R CB -0.403 29.864 30.300 -0.055 0.000 0.858 376 R HN 0.263 nan 8.270 nan 0.000 0.435 377 Y N 1.226 121.595 120.300 0.115 0.000 2.128 377 Y HA -0.269 4.284 4.550 0.005 0.000 0.284 377 Y C 2.539 178.542 175.900 0.172 0.000 1.154 377 Y CA 1.640 59.838 58.100 0.163 0.000 1.149 377 Y CB -0.244 38.308 38.460 0.154 0.000 0.976 377 Y HN 0.130 nan 8.280 nan 0.000 0.505 378 Q N -0.989 118.971 119.800 0.267 0.000 2.084 378 Q HA -0.170 4.172 4.340 0.005 0.000 0.202 378 Q C 2.167 178.265 176.000 0.162 0.000 0.978 378 Q CA 2.092 58.001 55.803 0.176 0.000 0.844 378 Q CB -0.314 28.490 28.738 0.109 0.000 0.898 378 Q HN 0.404 nan 8.270 nan 0.000 0.426 379 T N 1.006 115.633 114.554 0.121 0.000 2.821 379 T HA -0.100 4.253 4.350 0.005 0.000 0.267 379 T C 1.629 176.367 174.700 0.064 0.000 1.046 379 T CA 0.640 62.793 62.100 0.088 0.000 1.139 379 T CB -0.144 68.760 68.868 0.060 0.000 0.871 379 T HN 0.084 nan 8.240 nan 0.000 0.454 380 L N 0.418 121.657 121.223 0.026 0.000 2.083 380 L HA 0.112 4.455 4.340 0.005 0.000 0.209 380 L C 1.802 178.553 176.870 -0.199 0.000 1.083 380 L CA 1.581 56.358 54.840 -0.105 0.000 0.752 380 L CB -0.867 41.107 42.059 -0.142 0.000 0.899 380 L HN 0.198 nan 8.230 nan 0.000 0.433 381 F N -0.415 119.478 119.950 -0.096 0.000 2.206 381 F HA -0.114 4.416 4.527 0.005 0.000 0.298 381 F C 2.710 178.483 175.800 -0.045 0.000 1.090 381 F CA 1.469 59.395 58.000 -0.123 0.000 1.323 381 F CB -0.402 38.494 39.000 -0.173 0.000 1.028 381 F HN 0.062 nan 8.300 nan 0.000 0.492 382 R N 0.655 121.252 120.500 0.163 0.000 2.091 382 R HA -0.183 4.160 4.340 0.005 0.000 0.238 382 R C 1.658 178.058 176.300 0.166 0.000 1.136 382 R CA 2.110 58.295 56.100 0.143 0.000 0.959 382 R CB -0.423 29.956 30.300 0.130 0.000 0.856 382 R HN 0.155 nan 8.270 nan 0.000 0.437 383 D N 0.209 120.688 120.400 0.131 0.000 2.144 383 D HA -0.167 4.476 4.640 0.005 0.000 0.199 383 D C 1.967 178.314 176.300 0.079 0.000 0.984 383 D CA 1.433 55.512 54.000 0.132 0.000 0.834 383 D CB -0.107 40.601 40.800 -0.153 0.000 0.955 383 D HN 0.379 nan 8.370 nan 0.000 0.465 384 M N 0.195 119.773 119.600 -0.037 0.000 2.123 384 M HA -0.096 4.387 4.480 0.005 0.000 0.263 384 M C 2.260 178.569 176.300 0.015 0.000 1.069 384 M CA 1.043 56.307 55.300 -0.059 0.000 1.133 384 M CB -0.140 32.320 32.600 -0.234 0.000 1.356 384 M HN -0.137 nan 8.290 nan 0.000 0.415 385 K N 0.830 121.261 120.400 0.052 0.000 2.057 385 K HA -0.180 4.143 4.320 0.005 0.000 0.207 385 K C 1.624 178.284 176.600 0.101 0.000 1.049 385 K CA 1.541 57.869 56.287 0.068 0.000 0.931 385 K CB 0.012 32.561 32.500 0.082 0.000 0.714 385 K HN 0.365 nan 8.250 nan 0.000 0.440 386 E N -0.525 119.775 120.200 0.168 0.000 2.268 386 E HA -0.123 4.230 4.350 0.005 0.000 0.195 386 E C 1.195 177.935 176.600 0.234 0.000 0.995 386 E CA 0.720 57.266 56.400 0.242 0.000 0.836 386 E CB 0.084 30.013 29.700 0.382 0.000 0.763 386 E HN 0.328 nan 8.360 nan 0.000 0.491 387 A N 1.112 124.008 122.820 0.126 0.000 2.337 387 A HA 0.029 4.352 4.320 0.005 0.000 0.227 387 A C 0.165 177.816 177.584 0.113 0.000 1.259 387 A CA -0.205 51.829 52.037 -0.005 0.000 0.870 387 A CB -0.058 18.712 19.000 -0.384 0.000 0.927 387 A HN 0.181 nan 8.150 nan 0.000 0.497 388 N N -1.096 117.667 118.700 0.105 0.000 2.776 388 N HA -0.148 4.595 4.740 0.005 0.000 0.250 388 N C -0.206 175.308 175.510 0.006 0.000 1.112 388 N CA 1.233 54.332 53.050 0.083 0.000 0.733 388 N CB -1.651 36.919 38.487 0.138 0.000 1.097 388 N HN 0.633 nan 8.380 nan 0.000 0.558 389 M N 0.633 120.223 119.600 -0.016 0.000 2.241 389 M HA 0.119 4.602 4.480 0.005 0.000 0.335 389 M C 1.414 177.609 176.300 -0.176 0.000 1.122 389 M CA 0.220 55.432 55.300 -0.147 0.000 1.164 389 M CB 0.464 33.005 32.600 -0.097 0.000 1.459 389 M HN 0.168 nan 8.290 nan 0.000 0.461 390 N N 1.177 119.730 118.700 -0.246 0.000 2.118 390 N HA 0.286 5.029 4.740 0.005 0.000 0.226 390 N C -0.647 174.754 175.510 -0.181 0.000 1.305 390 N CA -0.236 52.684 53.050 -0.217 0.000 0.890 390 N CB 0.801 39.105 38.487 -0.304 0.000 1.118 390 N HN 0.710 nan 8.380 nan 0.000 0.511 391 M N 0.281 119.772 119.600 -0.182 0.000 2.465 391 M HA 0.505 4.988 4.480 0.005 0.000 0.284 391 M C -2.167 174.060 176.300 -0.122 0.000 1.212 391 M CA -0.898 54.319 55.300 -0.138 0.000 0.910 391 M CB 2.465 34.961 32.600 -0.173 0.000 1.725 391 M HN -0.172 nan 8.290 nan 0.000 0.477 392 V N 3.877 123.754 119.914 -0.060 0.000 2.760 392 V HA 0.651 4.774 4.120 0.005 0.000 0.309 392 V C -1.455 174.642 176.094 0.005 0.000 1.077 392 V CA -0.594 61.663 62.300 -0.071 0.000 0.910 392 V CB 2.287 34.053 31.823 -0.095 0.000 1.008 392 V HN 0.972 nan 8.190 nan 0.000 0.424 393 R N 6.117 126.576 120.500 -0.069 0.000 2.229 393 R HA 0.559 4.902 4.340 0.005 0.000 0.328 393 R C -0.808 175.502 176.300 0.017 0.000 1.009 393 R CA -0.535 55.512 56.100 -0.088 0.000 0.864 393 R CB 0.915 30.966 30.300 -0.415 0.000 1.085 393 R HN 0.778 nan 8.270 nan 0.000 0.453 394 I N 5.958 126.572 120.570 0.073 0.000 2.278 394 I HA 0.084 4.257 4.170 0.005 0.000 0.296 394 I C -0.038 176.163 176.117 0.141 0.000 1.121 394 I CA -0.493 60.849 61.300 0.070 0.000 1.267 394 I CB 0.136 38.072 38.000 -0.106 0.000 1.447 394 I HN 0.616 nan 8.210 nan 0.000 0.509 395 W N 6.054 127.337 121.300 -0.028 0.000 2.181 395 W HA 0.250 4.913 4.660 0.005 0.000 0.335 395 W C 1.362 177.871 176.519 -0.016 0.000 1.310 395 W CA -0.318 57.045 57.345 0.029 0.000 1.226 395 W CB 0.918 30.461 29.460 0.137 0.000 1.155 395 W HN 0.575 nan 8.180 nan 0.000 0.565 396 G N 2.974 111.405 108.800 -0.615 0.000 2.708 396 G HA2 -0.033 3.930 3.960 0.005 0.000 0.210 396 G HA3 -0.033 3.930 3.960 0.005 0.000 0.210 396 G C 1.034 175.370 174.900 -0.941 0.000 1.141 396 G CA 0.456 45.169 45.100 -0.644 0.000 0.788 396 G HN 0.854 nan 8.290 nan 0.000 0.531 397 G N -0.518 107.165 108.800 -1.861 0.000 3.189 397 G HA2 0.444 4.407 3.960 0.005 0.000 0.225 397 G HA3 0.444 4.407 3.960 0.005 0.000 0.225 397 G C 0.812 175.434 174.900 -0.464 0.000 1.159 397 G CA 0.641 44.891 45.100 -1.416 0.000 0.763 397 G HN 0.521 nan 8.290 nan 0.000 0.549 398 G N 0.140 108.757 108.800 -0.305 0.000 3.365 398 G HA2 0.513 4.475 3.960 0.005 0.000 0.185 398 G HA3 0.513 4.475 3.960 0.005 0.000 0.185 398 G C 0.154 175.010 174.900 -0.074 0.000 1.565 398 G CA 0.577 45.591 45.100 -0.144 0.000 0.984 398 G HN 0.563 nan 8.290 nan 0.000 0.604 399 T N -2.847 111.675 114.554 -0.054 0.000 2.916 399 T HA 0.573 4.926 4.350 0.005 0.000 0.292 399 T C -1.066 173.556 174.700 -0.130 0.000 1.064 399 T CA -0.726 61.399 62.100 0.041 0.000 1.011 399 T CB 1.474 70.580 68.868 0.396 0.000 1.152 399 T HN 0.286 nan 8.240 nan 0.000 0.510 400 Y N 1.440 121.779 120.300 0.065 0.000 2.569 400 Y HA 0.300 4.852 4.550 0.005 0.000 0.332 400 Y C 1.440 177.499 175.900 0.265 0.000 1.120 400 Y CA -0.446 57.729 58.100 0.126 0.000 1.416 400 Y CB 0.216 38.746 38.460 0.116 0.000 1.210 400 Y HN 0.532 nan 8.280 nan 0.000 0.528 401 E N 2.093 122.496 120.200 0.338 0.000 2.397 401 E HA -0.031 4.322 4.350 0.005 0.000 0.254 401 E C 0.141 176.974 176.600 0.388 0.000 1.231 401 E CA -0.386 56.143 56.400 0.215 0.000 0.954 401 E CB 0.479 29.897 29.700 -0.469 0.000 1.024 401 E HN 0.655 nan 8.360 nan 0.000 0.481 402 N N 1.081 119.924 118.700 0.238 0.000 2.344 402 N HA -0.098 4.645 4.740 0.005 0.000 0.236 402 N C 0.727 176.355 175.510 0.196 0.000 1.279 402 N CA 0.002 53.120 53.050 0.112 0.000 0.882 402 N CB 0.436 38.836 38.487 -0.144 0.000 1.110 402 N HN 0.278 nan 8.380 nan 0.000 0.436 403 N N 1.684 120.456 118.700 0.120 0.000 2.149 403 N HA -0.181 4.562 4.740 0.005 0.000 0.188 403 N C 1.507 177.061 175.510 0.073 0.000 1.019 403 N CA 0.657 53.797 53.050 0.150 0.000 0.857 403 N CB -0.408 38.140 38.487 0.103 0.000 0.997 403 N HN 0.514 nan 8.380 nan 0.000 0.426 404 L N 0.486 121.665 121.223 -0.074 0.000 2.012 404 L HA -0.116 4.227 4.340 0.005 0.000 0.210 404 L C 2.074 178.789 176.870 -0.258 0.000 1.073 404 L CA 1.411 56.134 54.840 -0.196 0.000 0.748 404 L CB -1.054 40.794 42.059 -0.351 0.000 0.891 404 L HN 0.100 nan 8.230 nan 0.000 0.431 405 F N -0.807 118.882 119.950 -0.435 0.000 2.063 405 F HA -0.368 4.162 4.527 0.005 0.000 0.298 405 F C 2.095 177.568 175.800 -0.545 0.000 1.109 405 F CA 2.153 59.937 58.000 -0.359 0.000 1.212 405 F CB -0.418 38.378 39.000 -0.341 0.000 0.973 405 F HN 0.191 nan 8.300 nan 0.000 0.480 406 Y N 0.244 120.494 120.300 -0.084 0.000 2.263 406 Y HA -0.176 4.377 4.550 0.005 0.000 0.292 406 Y C 2.367 178.001 175.900 -0.443 0.000 1.130 406 Y CA 1.159 59.020 58.100 -0.398 0.000 1.179 406 Y CB -0.883 36.998 38.460 -0.965 0.000 0.998 406 Y HN 0.046 nan 8.280 nan 0.000 0.532 407 D N 0.294 120.609 120.400 -0.141 0.000 2.123 407 D HA -0.170 4.473 4.640 0.005 0.000 0.196 407 D C 2.127 178.289 176.300 -0.231 0.000 0.992 407 D CA 1.306 55.283 54.000 -0.038 0.000 0.833 407 D CB -0.381 40.418 40.800 -0.003 0.000 0.954 407 D HN 0.319 nan 8.370 nan 0.000 0.455 408 L N 0.512 121.412 121.223 -0.538 0.000 2.093 408 L HA -0.086 4.257 4.340 0.005 0.000 0.208 408 L C 2.558 178.831 176.870 -0.995 0.000 1.085 408 L CA 0.966 55.283 54.840 -0.871 0.000 0.755 408 L CB -0.367 40.869 42.059 -1.371 0.000 0.904 408 L HN -0.043 nan 8.230 nan 0.000 0.435 409 A N 0.016 122.206 122.820 -1.050 0.000 1.908 409 A HA -0.245 4.078 4.320 0.005 0.000 0.218 409 A C 1.933 179.513 177.584 -0.007 0.000 1.181 409 A CA 2.038 53.859 52.037 -0.360 0.000 0.627 409 A CB -0.553 18.383 19.000 -0.107 0.000 0.818 409 A HN 0.349 nan 8.150 nan 0.000 0.445 410 D N -0.072 120.337 120.400 0.015 0.000 2.104 410 D HA -0.185 4.458 4.640 0.005 0.000 0.194 410 D C 1.982 178.495 176.300 0.355 0.000 0.994 410 D CA 1.770 55.912 54.000 0.237 0.000 0.830 410 D CB -0.447 40.445 40.800 0.153 0.000 0.959 410 D HN 0.880 nan 8.370 nan 0.000 0.452 411 E N -0.199 120.064 120.200 0.106 0.000 2.435 411 E HA -0.012 4.341 4.350 0.005 0.000 0.195 411 E C 1.058 177.670 176.600 0.020 0.000 1.029 411 E CA 0.415 56.860 56.400 0.075 0.000 0.865 411 E CB -0.062 29.645 29.700 0.011 0.000 0.833 411 E HN 0.147 nan 8.360 nan 0.000 0.510 412 N N 0.685 119.387 118.700 0.003 0.000 2.236 412 N HA 0.055 4.798 4.740 0.005 0.000 0.196 412 N C 0.575 176.078 175.510 -0.013 0.000 1.114 412 N CA 0.704 53.757 53.050 0.005 0.000 0.859 412 N CB 1.278 39.795 38.487 0.051 0.000 0.982 412 N HN 0.367 nan 8.380 nan 0.000 0.493 413 G N 1.663 110.466 108.800 0.005 0.000 2.246 413 G HA2 -0.221 3.742 3.960 0.005 0.000 0.273 413 G HA3 -0.221 3.742 3.960 0.005 0.000 0.273 413 G C -0.226 174.666 174.900 -0.013 0.000 1.055 413 G CA -0.171 44.803 45.100 -0.211 0.000 0.851 413 G HN 0.196 nan 8.290 nan 0.000 0.500 414 I N 0.489 121.171 120.570 0.186 0.000 2.330 414 I HA 0.391 4.563 4.170 0.005 0.000 0.289 414 I C 0.764 177.009 176.117 0.213 0.000 1.001 414 I CA -1.458 59.924 61.300 0.137 0.000 1.193 414 I CB 1.100 39.191 38.000 0.152 0.000 1.345 414 I HN -0.065 nan 8.210 nan 0.000 0.461 415 L N 6.965 128.273 121.223 0.142 0.000 2.456 415 L HA 0.134 4.477 4.340 0.005 0.000 0.272 415 L C 0.194 177.102 176.870 0.064 0.000 1.189 415 L CA 0.420 55.319 54.840 0.099 0.000 0.846 415 L CB 0.618 42.649 42.059 -0.047 0.000 1.111 415 L HN 0.245 nan 8.230 nan 0.000 0.475 416 V N 2.687 122.651 119.914 0.083 0.000 2.409 416 V HA 0.241 4.364 4.120 0.005 0.000 0.291 416 V C -0.753 175.429 176.094 0.148 0.000 1.020 416 V CA -0.734 61.645 62.300 0.131 0.000 0.848 416 V CB 1.533 33.469 31.823 0.188 0.000 0.990 416 V HN 0.719 nan 8.190 nan 0.000 0.430 417 W N 6.090 127.385 121.300 -0.009 0.000 2.308 417 W HA 0.531 5.194 4.660 0.005 0.000 0.311 417 W C -0.461 176.047 176.519 -0.018 0.000 1.088 417 W CA -1.072 56.295 57.345 0.036 0.000 1.309 417 W CB 1.336 30.872 29.460 0.127 0.000 1.229 417 W HN 0.631 nan 8.180 nan 0.000 0.427 418 Q N 4.761 124.649 119.800 0.146 0.000 2.368 418 Q HA 0.206 4.549 4.340 0.005 0.000 0.256 418 Q C -0.743 175.343 176.000 0.143 0.000 0.980 418 Q CA -0.086 55.714 55.803 -0.005 0.000 0.887 418 Q CB 0.570 28.982 28.738 -0.543 0.000 1.221 418 Q HN 0.292 nan 8.270 nan 0.000 0.458 419 D N 3.010 123.559 120.400 0.249 0.000 2.372 419 D HA 0.118 4.761 4.640 0.005 0.000 0.243 419 D C -0.357 176.011 176.300 0.113 0.000 1.121 419 D CA 0.208 54.356 54.000 0.246 0.000 0.898 419 D CB 0.379 41.274 40.800 0.159 0.000 1.202 419 D HN 0.418 nan 8.370 nan 0.000 0.428 420 F N 0.660 120.852 119.950 0.403 0.000 2.440 420 F HA 0.106 4.635 4.527 0.005 0.000 0.323 420 F C 1.497 177.253 175.800 -0.075 0.000 1.192 420 F CA -0.411 57.803 58.000 0.356 0.000 1.252 420 F CB 0.382 39.771 39.000 0.648 0.000 1.214 420 F HN 0.046 nan 8.300 nan 0.000 0.578 421 M N 3.432 122.784 119.600 -0.413 0.000 3.706 421 M HA 0.183 4.666 4.480 0.005 0.000 0.204 421 M C -1.498 174.206 176.300 -0.993 0.000 1.455 421 M CA 0.293 55.097 55.300 -0.825 0.000 1.659 421 M CB -1.760 30.069 32.600 -1.286 0.000 1.076 421 M HN 0.282 nan 8.290 nan 0.000 0.577 422 F N 0.413 120.304 119.950 -0.098 0.000 2.547 422 F HA 0.721 5.251 4.527 0.005 0.000 0.316 422 F C -0.103 175.744 175.800 0.077 0.000 1.121 422 F CA -1.040 56.914 58.000 -0.077 0.000 0.911 422 F CB 1.788 40.786 39.000 -0.002 0.000 1.179 422 F HN 0.291 nan 8.300 nan 0.000 0.443 423 A N 1.104 124.199 122.820 0.458 0.000 2.437 423 A HA 0.593 4.916 4.320 0.005 0.000 0.293 423 A C 0.010 177.920 177.584 0.543 0.000 1.038 423 A CA -0.750 51.490 52.037 0.339 0.000 0.708 423 A CB 0.671 19.636 19.000 -0.058 0.000 1.251 423 A HN 1.146 nan 8.150 nan 0.000 0.409 424 C N 0.221 119.797 119.300 0.460 0.000 4.473 424 C HA -0.110 4.353 4.460 0.005 0.000 0.272 424 C C 0.850 176.079 174.990 0.400 0.000 1.434 424 C CA 1.510 60.814 59.018 0.476 0.000 1.761 424 C CB -2.514 25.588 27.740 0.603 0.000 1.564 424 C HN 1.626 nan 8.230 nan 0.000 0.725 425 T N 0.252 114.981 114.554 0.293 0.000 2.923 425 T HA 0.597 4.950 4.350 0.005 0.000 0.311 425 T C -2.799 171.993 174.700 0.153 0.000 1.183 425 T CA -1.000 61.192 62.100 0.153 0.000 1.020 425 T CB 2.370 71.169 68.868 -0.115 0.000 1.165 425 T HN -0.010 nan 8.240 nan 0.000 0.482 426 P HA 0.271 nan 4.420 nan 0.000 0.272 426 P C -1.268 176.045 177.300 0.022 0.000 1.230 426 P CA -0.105 63.163 63.100 0.279 0.000 0.788 426 P CB 0.505 32.350 31.700 0.242 0.000 0.949 427 Y N -0.204 120.168 120.300 0.120 0.000 2.598 427 Y HA 0.429 4.982 4.550 0.005 0.000 0.340 427 Y C -1.648 174.071 175.900 -0.301 0.000 1.038 427 Y CA -2.286 55.671 58.100 -0.238 0.000 1.100 427 Y CB 0.761 39.246 38.460 0.042 0.000 1.281 427 Y HN 0.276 nan 8.280 nan 0.000 0.488 428 P HA 0.038 nan 4.420 nan 0.000 0.271 428 P C -0.256 176.951 177.300 -0.156 0.000 1.238 428 P CA 0.180 63.073 63.100 -0.345 0.000 0.794 428 P CB 0.523 31.830 31.700 -0.654 0.000 0.959 429 S N -2.734 112.987 115.700 0.036 0.000 3.082 429 S HA 0.103 4.576 4.470 0.005 0.000 0.253 429 S C -0.047 174.627 174.600 0.123 0.000 0.961 429 S CA -0.689 57.576 58.200 0.109 0.000 1.129 429 S CB -0.688 62.539 63.200 0.045 0.000 1.083 429 S HN 0.497 nan 8.310 nan 0.000 0.605 430 D N 1.588 122.080 120.400 0.153 0.000 2.357 430 D HA 0.202 4.845 4.640 0.005 0.000 0.242 430 D C -1.970 174.414 176.300 0.140 0.000 1.153 430 D CA -1.197 52.882 54.000 0.132 0.000 0.918 430 D CB 0.684 41.564 40.800 0.133 0.000 1.181 430 D HN -0.056 nan 8.370 nan 0.000 0.435 431 P HA -0.167 nan 4.420 nan 0.000 0.216 431 P C 1.422 178.768 177.300 0.076 0.000 1.157 431 P CA 1.791 64.927 63.100 0.059 0.000 0.880 431 P CB 0.015 31.737 31.700 0.037 0.000 0.791 432 T N -1.332 113.287 114.554 0.107 0.000 2.746 432 T HA -0.152 4.201 4.350 0.005 0.000 0.267 432 T C 1.457 176.247 174.700 0.151 0.000 1.039 432 T CA 1.024 63.192 62.100 0.114 0.000 1.142 432 T CB -0.973 67.970 68.868 0.124 0.000 0.866 432 T HN 0.014 nan 8.240 nan 0.000 0.444 433 F N 1.635 121.626 119.950 0.069 0.000 2.102 433 F HA -0.008 4.522 4.527 0.005 0.000 0.298 433 F C 1.906 177.729 175.800 0.039 0.000 1.105 433 F CA 1.146 59.197 58.000 0.085 0.000 1.239 433 F CB -0.414 38.649 39.000 0.104 0.000 0.991 433 F HN 0.056 nan 8.300 nan 0.000 0.474 434 L N -0.194 121.062 121.223 0.055 0.000 2.141 434 L HA -0.195 4.148 4.340 0.005 0.000 0.209 434 L C 2.350 179.140 176.870 -0.133 0.000 1.094 434 L CA 1.213 55.994 54.840 -0.097 0.000 0.763 434 L CB -0.646 41.381 42.059 -0.053 0.000 0.908 434 L HN 0.091 nan 8.230 nan 0.000 0.437 435 K N 0.038 120.396 120.400 -0.070 0.000 2.057 435 K HA -0.150 4.173 4.320 0.005 0.000 0.207 435 K C 2.249 178.798 176.600 -0.086 0.000 1.049 435 K CA 1.195 57.444 56.287 -0.063 0.000 0.931 435 K CB -0.101 32.389 32.500 -0.018 0.000 0.714 435 K HN 0.245 nan 8.250 nan 0.000 0.440 436 R N 0.487 120.925 120.500 -0.103 0.000 2.083 436 R HA -0.132 4.211 4.340 0.005 0.000 0.237 436 R C 2.325 178.530 176.300 -0.159 0.000 1.137 436 R CA 1.488 57.518 56.100 -0.117 0.000 0.951 436 R CB -0.571 29.647 30.300 -0.137 0.000 0.851 436 R HN 0.013 nan 8.270 nan 0.000 0.434 437 V N 1.086 120.839 119.914 -0.268 0.000 2.343 437 V HA -0.248 3.875 4.120 0.005 0.000 0.247 437 V C 2.326 178.320 176.094 -0.167 0.000 1.051 437 V CA 1.982 64.163 62.300 -0.198 0.000 1.036 437 V CB -0.523 31.138 31.823 -0.270 0.000 0.654 437 V HN 0.408 nan 8.190 nan 0.000 0.451 438 E N 0.329 120.419 120.200 -0.185 0.000 2.085 438 E HA -0.258 4.095 4.350 0.005 0.000 0.194 438 E C 2.242 178.745 176.600 -0.161 0.000 0.994 438 E CA 1.459 57.751 56.400 -0.180 0.000 0.801 438 E CB -0.239 29.374 29.700 -0.144 0.000 0.743 438 E HN 0.562 nan 8.360 nan 0.000 0.453 439 A N 1.822 124.568 122.820 -0.123 0.000 1.865 439 A HA -0.298 4.025 4.320 0.005 0.000 0.217 439 A C 2.107 179.628 177.584 -0.106 0.000 1.191 439 A CA 2.081 54.053 52.037 -0.108 0.000 0.623 439 A CB -0.874 18.080 19.000 -0.078 0.000 0.826 439 A HN 0.612 nan 8.150 nan 0.000 0.444 440 E N -0.012 120.142 120.200 -0.076 0.000 2.106 440 E HA -0.044 4.309 4.350 0.005 0.000 0.192 440 E C 2.007 178.528 176.600 -0.131 0.000 0.984 440 E CA 1.170 57.543 56.400 -0.045 0.000 0.806 440 E CB -0.395 29.354 29.700 0.082 0.000 0.750 440 E HN 0.470 nan 8.360 nan 0.000 0.458 441 A N 1.510 124.247 122.820 -0.139 0.000 1.858 441 A HA -0.095 4.228 4.320 0.005 0.000 0.216 441 A C 2.533 179.939 177.584 -0.297 0.000 1.190 441 A CA 1.553 53.497 52.037 -0.154 0.000 0.617 441 A CB -0.876 17.955 19.000 -0.282 0.000 0.827 441 A HN 0.197 nan 8.150 nan 0.000 0.443 442 V N -1.220 118.472 119.914 -0.370 0.000 2.287 442 V HA -0.306 3.817 4.120 0.005 0.000 0.248 442 V C 2.375 178.198 176.094 -0.451 0.000 1.053 442 V CA 2.301 64.233 62.300 -0.614 0.000 1.027 442 V CB -1.059 30.390 31.823 -0.623 0.000 0.646 442 V HN 0.711 nan 8.190 nan 0.000 0.447 443 Y N 1.658 121.737 120.300 -0.369 0.000 2.114 443 Y HA -0.229 4.324 4.550 0.005 0.000 0.284 443 Y C 2.546 178.285 175.900 -0.268 0.000 1.143 443 Y CA 2.192 60.120 58.100 -0.288 0.000 1.135 443 Y CB -0.360 37.954 38.460 -0.243 0.000 0.980 443 Y HN 0.271 nan 8.280 nan 0.000 0.499 444 N N 0.237 118.746 118.700 -0.318 0.000 2.300 444 N HA -0.100 4.643 4.740 0.005 0.000 0.179 444 N C 1.935 177.304 175.510 -0.235 0.000 1.016 444 N CA 1.477 54.306 53.050 -0.367 0.000 0.876 444 N CB -0.121 38.056 38.487 -0.517 0.000 0.979 444 N HN 0.436 nan 8.380 nan 0.000 0.432 445 I N 1.382 121.780 120.570 -0.287 0.000 2.179 445 I HA -0.234 3.939 4.170 0.005 0.000 0.242 445 I C 2.457 178.438 176.117 -0.226 0.000 1.088 445 I CA 1.142 62.315 61.300 -0.212 0.000 1.357 445 I CB -0.109 37.646 38.000 -0.408 0.000 1.051 445 I HN 0.024 nan 8.210 nan 0.000 0.409 446 R N 0.112 120.397 120.500 -0.358 0.000 2.096 446 R HA -0.165 4.178 4.340 0.005 0.000 0.235 446 R C 2.439 178.540 176.300 -0.333 0.000 1.127 446 R CA 1.182 57.078 56.100 -0.341 0.000 0.968 446 R CB -0.366 29.737 30.300 -0.328 0.000 0.861 446 R HN 0.301 nan 8.270 nan 0.000 0.440 447 R N 0.838 121.081 120.500 -0.429 0.000 2.105 447 R HA -0.106 4.237 4.340 0.005 0.000 0.239 447 R C 1.709 177.855 176.300 -0.256 0.000 1.135 447 R CA 1.377 57.240 56.100 -0.396 0.000 0.967 447 R CB 0.003 29.952 30.300 -0.585 0.000 0.861 447 R HN 0.207 nan 8.270 nan 0.000 0.442 448 L N 0.121 121.213 121.223 -0.218 0.000 2.609 448 L HA 0.150 4.492 4.340 0.005 0.000 0.230 448 L C 2.073 178.876 176.870 -0.111 0.000 1.087 448 L CA -0.017 54.721 54.840 -0.170 0.000 0.874 448 L CB -0.022 41.817 42.059 -0.366 0.000 1.114 448 L HN 0.183 nan 8.230 nan 0.000 0.488 449 R N -0.280 120.133 120.500 -0.145 0.000 2.285 449 R HA -0.033 4.310 4.340 0.005 0.000 0.213 449 R C 0.919 177.114 176.300 -0.175 0.000 1.068 449 R CA 0.868 56.896 56.100 -0.121 0.000 1.004 449 R CB -0.468 29.705 30.300 -0.212 0.000 0.873 449 R HN 0.341 nan 8.270 nan 0.000 0.467 450 N N 0.600 119.081 118.700 -0.365 0.000 2.398 450 N HA -0.016 4.727 4.740 0.005 0.000 0.188 450 N C -0.410 174.800 175.510 -0.501 0.000 1.122 450 N CA 0.231 52.975 53.050 -0.510 0.000 0.866 450 N CB 0.116 38.022 38.487 -0.968 0.000 0.970 450 N HN 0.339 nan 8.380 nan 0.000 0.462 451 H N 0.458 119.362 119.070 -0.277 0.000 2.690 451 H HA 0.190 4.749 4.556 0.005 0.000 0.314 451 H C 1.032 176.170 175.328 -0.317 0.000 1.069 451 H CA -0.213 55.689 56.048 -0.244 0.000 1.436 451 H CB 1.568 31.236 29.762 -0.157 0.000 1.462 451 H HN 0.055 nan 8.280 nan 0.000 0.511 452 A N 3.385 126.001 122.820 -0.341 0.000 1.948 452 A HA -0.239 4.084 4.320 0.005 0.000 0.220 452 A C 2.404 179.501 177.584 -0.811 0.000 1.177 452 A CA 2.042 53.627 52.037 -0.753 0.000 0.636 452 A CB -0.569 17.628 19.000 -1.338 0.000 0.815 452 A HN 0.753 nan 8.150 nan 0.000 0.449 453 S N -0.868 114.564 115.700 -0.447 0.000 2.423 453 S HA 0.001 4.474 4.470 0.005 0.000 0.231 453 S C 0.757 175.303 174.600 -0.090 0.000 1.014 453 S CA 0.632 58.720 58.200 -0.185 0.000 0.965 453 S CB -0.733 62.495 63.200 0.046 0.000 0.785 453 S HN 0.441 nan 8.310 nan 0.000 0.495 454 L N 1.900 123.067 121.223 -0.094 0.000 2.500 454 L HA 0.518 4.861 4.340 0.005 0.000 0.272 454 L C 0.848 177.654 176.870 -0.105 0.000 1.149 454 L CA 0.169 54.941 54.840 -0.113 0.000 0.897 454 L CB 0.372 42.320 42.059 -0.185 0.000 1.178 454 L HN 0.209 nan 8.230 nan 0.000 0.473 455 A N 6.465 129.249 122.820 -0.060 0.000 2.055 455 A HA 0.472 4.795 4.320 0.005 0.000 0.205 455 A C 0.418 178.051 177.584 0.081 0.000 1.235 455 A CA 0.851 52.921 52.037 0.055 0.000 0.822 455 A CB 0.065 19.142 19.000 0.128 0.000 0.903 455 A HN 0.777 nan 8.150 nan 0.000 0.473 456 M N -4.472 115.100 119.600 -0.047 0.000 2.853 456 M HA 0.586 5.069 4.480 0.005 0.000 0.273 456 M C -2.307 173.848 176.300 -0.241 0.000 1.128 456 M CA -0.677 54.602 55.300 -0.035 0.000 0.814 456 M CB 0.841 33.471 32.600 0.050 0.000 1.667 456 M HN 0.064 nan 8.290 nan 0.000 0.519 457 W N 0.641 121.924 121.300 -0.028 0.000 2.627 457 W HA 0.775 5.437 4.660 0.005 0.000 0.339 457 W C -0.995 175.463 176.519 -0.100 0.000 1.058 457 W CA -0.395 56.940 57.345 -0.018 0.000 1.223 457 W CB 2.014 31.575 29.460 0.167 0.000 1.389 457 W HN 0.855 nan 8.180 nan 0.000 0.541 458 C N 2.284 121.744 119.300 0.266 0.000 2.431 458 C HA 0.574 5.037 4.460 0.005 0.000 0.321 458 C C 1.499 176.734 174.990 0.408 0.000 1.202 458 C CA 0.004 59.101 59.018 0.132 0.000 1.398 458 C CB 0.348 28.303 27.740 0.358 0.000 2.047 458 C HN 0.992 nan 8.230 nan 0.000 0.465 459 G N 4.134 113.073 108.800 0.231 0.000 2.442 459 G HA2 0.020 3.983 3.960 0.005 0.000 0.219 459 G HA3 0.020 3.983 3.960 0.005 0.000 0.219 459 G C 0.274 175.460 174.900 0.476 0.000 1.141 459 G CA 1.443 46.909 45.100 0.610 0.000 0.763 459 G HN 1.109 nan 8.290 nan 0.000 0.554 460 N N -2.683 116.122 118.700 0.174 0.000 3.185 460 N HA 0.183 4.926 4.740 0.005 0.000 0.238 460 N C -1.622 173.967 175.510 0.131 0.000 1.451 460 N CA -0.907 52.213 53.050 0.117 0.000 0.888 460 N CB 0.524 38.845 38.487 -0.277 0.000 1.413 460 N HN -0.022 nan 8.380 nan 0.000 0.511 461 N N -0.015 118.765 118.700 0.132 0.000 2.426 461 N HA 0.262 5.005 4.740 0.005 0.000 0.257 461 N C -0.837 174.800 175.510 0.211 0.000 1.002 461 N CA -0.108 53.071 53.050 0.215 0.000 0.942 461 N CB 0.358 38.948 38.487 0.172 0.000 1.112 461 N HN 0.768 nan 8.380 nan 0.000 0.499 462 E N 1.353 121.638 120.200 0.141 0.000 3.496 462 E HA -0.279 4.074 4.350 0.005 0.000 0.300 462 E C 0.621 177.130 176.600 -0.153 0.000 0.877 462 E CA 0.672 57.080 56.400 0.013 0.000 1.050 462 E CB -1.310 28.515 29.700 0.208 0.000 1.532 462 E HN 0.673 nan 8.360 nan 0.000 0.447 463 I N -0.130 120.416 120.570 -0.039 0.000 2.286 463 I HA -0.218 3.955 4.170 0.005 0.000 0.245 463 I C 2.382 178.390 176.117 -0.181 0.000 1.104 463 I CA 0.999 62.289 61.300 -0.016 0.000 1.397 463 I CB -0.199 37.895 38.000 0.156 0.000 1.072 463 I HN 0.141 nan 8.210 nan 0.000 0.417 464 L N 1.038 122.128 121.223 -0.221 0.000 2.056 464 L HA -0.175 4.168 4.340 0.005 0.000 0.207 464 L C 2.418 179.043 176.870 -0.408 0.000 1.078 464 L CA 1.805 56.385 54.840 -0.434 0.000 0.749 464 L CB -0.686 41.194 42.059 -0.297 0.000 0.901 464 L HN 0.218 nan 8.230 nan 0.000 0.433 465 E N -0.502 119.491 120.200 -0.346 0.000 2.070 465 E HA -0.285 4.068 4.350 0.005 0.000 0.197 465 E C 2.098 178.185 176.600 -0.855 0.000 1.004 465 E CA 1.392 57.563 56.400 -0.381 0.000 0.805 465 E CB -0.189 29.373 29.700 -0.230 0.000 0.744 465 E HN 0.613 nan 8.360 nan 0.000 0.451 466 A N 0.937 123.010 122.820 -1.245 0.000 1.865 466 A HA -0.190 4.133 4.320 0.005 0.000 0.217 466 A C 2.231 179.273 177.584 -0.903 0.000 1.191 466 A CA 1.452 52.579 52.037 -1.516 0.000 0.623 466 A CB -0.808 17.694 19.000 -0.829 0.000 0.826 466 A HN 0.337 nan 8.150 nan 0.000 0.444 467 L N -1.094 119.855 121.223 -0.457 0.000 2.131 467 L HA -0.199 4.144 4.340 0.005 0.000 0.210 467 L C 2.582 179.306 176.870 -0.243 0.000 1.092 467 L CA 1.710 56.440 54.840 -0.184 0.000 0.759 467 L CB -0.283 41.666 42.059 -0.184 0.000 0.903 467 L HN 0.378 nan 8.230 nan 0.000 0.435 468 K N -1.495 118.598 120.400 -0.512 0.000 2.137 468 K HA -0.045 4.278 4.320 0.005 0.000 0.202 468 K C 1.096 177.302 176.600 -0.657 0.000 1.052 468 K CA 1.052 56.912 56.287 -0.712 0.000 0.961 468 K CB 0.213 31.971 32.500 -1.238 0.000 0.741 468 K HN 0.176 nan 8.250 nan 0.000 0.452 469 Y N -2.773 117.379 120.300 -0.246 0.000 2.499 469 Y HA 0.119 4.672 4.550 0.005 0.000 0.253 469 Y C 0.504 176.442 175.900 0.064 0.000 1.105 469 Y CA -0.822 57.213 58.100 -0.107 0.000 1.240 469 Y CB 0.471 38.889 38.460 -0.071 0.000 1.289 469 Y HN 0.074 nan 8.280 nan 0.000 0.534 470 W N 0.490 121.617 121.300 -0.288 0.000 3.330 470 W HA 0.544 5.207 4.660 0.005 0.000 0.348 470 W C 1.302 177.635 176.519 -0.310 0.000 1.205 470 W CA -0.103 57.035 57.345 -0.345 0.000 1.841 470 W CB -0.338 28.830 29.460 -0.485 0.000 1.084 470 W HN 0.183 nan 8.180 nan 0.000 0.665 471 G N 0.229 109.001 108.800 -0.047 0.000 2.160 471 G HA2 -0.354 3.609 3.960 0.005 0.000 0.244 471 G HA3 -0.354 3.609 3.960 0.005 0.000 0.244 471 G C 0.659 175.649 174.900 0.149 0.000 1.022 471 G CA 0.173 45.286 45.100 0.020 0.000 0.741 471 G HN 0.096 nan 8.290 nan 0.000 0.508 472 F N 0.454 120.472 119.950 0.113 0.000 2.269 472 F HA 0.058 4.588 4.527 0.005 0.000 0.301 472 F C 2.295 178.123 175.800 0.047 0.000 1.082 472 F CA 1.151 59.263 58.000 0.186 0.000 1.360 472 F CB -0.543 38.715 39.000 0.430 0.000 1.041 472 F HN 0.496 nan 8.300 nan 0.000 0.512 473 E N 0.393 120.548 120.200 -0.075 0.000 2.204 473 E HA -0.164 4.189 4.350 0.005 0.000 0.195 473 E C 2.066 178.567 176.600 -0.164 0.000 0.990 473 E CA 1.071 57.227 56.400 -0.406 0.000 0.821 473 E CB 0.141 29.425 29.700 -0.693 0.000 0.750 473 E HN 0.132 nan 8.360 nan 0.000 0.477 474 K N 0.007 120.350 120.400 -0.094 0.000 2.432 474 K HA 0.021 4.344 4.320 0.005 0.000 0.196 474 K C 1.559 178.077 176.600 -0.137 0.000 1.038 474 K CA 0.715 56.949 56.287 -0.089 0.000 0.986 474 K CB -0.007 32.456 32.500 -0.060 0.000 0.782 474 K HN 0.218 nan 8.250 nan 0.000 0.485 475 K N -1.134 119.130 120.400 -0.225 0.000 2.354 475 K HA 0.246 4.569 4.320 0.005 0.000 0.194 475 K C -0.437 175.665 176.600 -0.830 0.000 1.038 475 K CA 0.230 56.186 56.287 -0.552 0.000 1.052 475 K CB 0.413 32.432 32.500 -0.802 0.000 0.861 475 K HN 0.145 nan 8.250 nan 0.000 0.535 476 F N 0.426 120.338 119.950 -0.063 0.000 2.603 476 F HA 0.149 4.679 4.527 0.005 0.000 0.317 476 F C 0.638 176.383 175.800 -0.092 0.000 1.066 476 F CA -1.492 56.438 58.000 -0.117 0.000 0.941 476 F CB 1.089 39.975 39.000 -0.190 0.000 1.291 476 F HN -0.184 nan 8.300 nan 0.000 0.472 477 T N -1.113 113.504 114.554 0.105 0.000 2.855 477 T HA 0.131 4.484 4.350 0.005 0.000 0.314 477 T C -2.057 172.679 174.700 0.059 0.000 1.077 477 T CA -1.018 61.109 62.100 0.046 0.000 1.095 477 T CB 0.870 69.753 68.868 0.025 0.000 0.987 477 T HN 0.327 nan 8.240 nan 0.000 0.546 478 P HA -0.045 nan 4.420 nan 0.000 0.216 478 P C 1.284 178.618 177.300 0.057 0.000 1.150 478 P CA 0.985 64.121 63.100 0.060 0.000 0.837 478 P CB 0.065 31.785 31.700 0.032 0.000 0.786 479 E N -0.835 119.378 120.200 0.022 0.000 2.047 479 E HA -0.107 4.246 4.350 0.005 0.000 0.191 479 E C 2.042 178.611 176.600 -0.052 0.000 0.987 479 E CA 0.890 57.291 56.400 0.000 0.000 0.799 479 E CB -1.253 28.451 29.700 0.007 0.000 0.752 479 E HN -0.009 nan 8.360 nan 0.000 0.449 480 V N 0.327 120.180 119.914 -0.102 0.000 2.343 480 V HA -0.260 3.863 4.120 0.005 0.000 0.247 480 V C 1.966 177.864 176.094 -0.327 0.000 1.051 480 V CA 1.811 63.927 62.300 -0.306 0.000 1.036 480 V CB -0.504 30.996 31.823 -0.538 0.000 0.654 480 V HN 0.322 nan 8.190 nan 0.000 0.451 481 Y N 0.766 120.909 120.300 -0.262 0.000 2.165 481 Y HA -0.259 4.294 4.550 0.005 0.000 0.286 481 Y C 2.718 178.492 175.900 -0.210 0.000 1.155 481 Y CA 1.837 59.811 58.100 -0.209 0.000 1.164 481 Y CB -0.185 38.239 38.460 -0.059 0.000 0.978 481 Y HN 0.206 nan 8.280 nan 0.000 0.513 482 Q N -0.171 119.523 119.800 -0.178 0.000 2.135 482 Q HA -0.142 4.201 4.340 0.005 0.000 0.204 482 Q C 2.550 178.287 176.000 -0.438 0.000 0.981 482 Q CA 1.443 57.037 55.803 -0.348 0.000 0.856 482 Q CB -1.145 27.500 28.738 -0.156 0.000 0.902 482 Q HN 0.654 nan 8.270 nan 0.000 0.425 483 G N 0.681 109.348 108.800 -0.221 0.000 2.418 483 G HA2 -0.203 3.760 3.960 0.005 0.000 0.217 483 G HA3 -0.203 3.760 3.960 0.005 0.000 0.217 483 G C 1.581 176.396 174.900 -0.142 0.000 1.158 483 G CA 0.588 45.624 45.100 -0.106 0.000 0.771 483 G HN 0.284 nan 8.290 nan 0.000 0.545 484 L N -0.041 121.015 121.223 -0.279 0.000 2.056 484 L HA -0.070 4.273 4.340 0.005 0.000 0.207 484 L C 3.102 179.855 176.870 -0.196 0.000 1.078 484 L CA 0.732 55.435 54.840 -0.228 0.000 0.749 484 L CB -0.370 41.475 42.059 -0.358 0.000 0.901 484 L HN 0.138 nan 8.230 nan 0.000 0.433 485 M N -0.884 118.464 119.600 -0.419 0.000 2.086 485 M HA -0.177 4.306 4.480 0.005 0.000 0.261 485 M C 2.423 178.649 176.300 -0.123 0.000 1.067 485 M CA 1.732 56.819 55.300 -0.355 0.000 1.116 485 M CB -1.450 30.815 32.600 -0.558 0.000 1.348 485 M HN 0.270 nan 8.290 nan 0.000 0.407 486 H N -0.485 118.549 119.070 -0.060 0.000 2.389 486 H HA 0.029 4.587 4.556 0.005 0.000 0.299 486 H C 2.252 177.584 175.328 0.007 0.000 1.081 486 H CA 1.564 57.600 56.048 -0.021 0.000 1.345 486 H CB -0.985 28.758 29.762 -0.032 0.000 1.393 486 H HN 0.430 nan 8.280 nan 0.000 0.520 487 G N -0.278 108.595 108.800 0.121 0.000 2.422 487 G HA2 -0.295 3.668 3.960 0.005 0.000 0.218 487 G HA3 -0.295 3.668 3.960 0.005 0.000 0.218 487 G C 1.729 176.675 174.900 0.076 0.000 1.140 487 G CA 0.555 45.706 45.100 0.084 0.000 0.775 487 G HN 0.430 nan 8.290 nan 0.000 0.545 488 Y N 1.920 122.255 120.300 0.058 0.000 2.097 488 Y HA -0.171 4.382 4.550 0.005 0.000 0.282 488 Y C 2.459 178.427 175.900 0.113 0.000 1.152 488 Y CA 2.157 60.361 58.100 0.173 0.000 1.136 488 Y CB -0.036 38.497 38.460 0.122 0.000 0.975 488 Y HN 0.190 nan 8.280 nan 0.000 0.498 489 D N 0.084 120.596 120.400 0.186 0.000 2.117 489 D HA -0.168 4.475 4.640 0.005 0.000 0.197 489 D C 2.020 178.270 176.300 -0.084 0.000 0.987 489 D CA 1.610 55.650 54.000 0.068 0.000 0.829 489 D CB -0.293 40.564 40.800 0.095 0.000 0.961 489 D HN 0.375 nan 8.370 nan 0.000 0.460 490 K N -0.196 120.149 120.400 -0.090 0.000 2.103 490 K HA -0.145 4.178 4.320 0.005 0.000 0.207 490 K C 1.894 178.326 176.600 -0.280 0.000 1.048 490 K CA 0.668 56.868 56.287 -0.145 0.000 0.930 490 K CB -0.050 32.394 32.500 -0.094 0.000 0.716 490 K HN 0.060 nan 8.250 nan 0.000 0.444 491 L N -0.700 120.253 121.223 -0.449 0.000 2.130 491 L HA 0.087 4.430 4.340 0.005 0.000 0.200 491 L C 1.502 177.844 176.870 -0.881 0.000 1.075 491 L CA 1.597 55.956 54.840 -0.802 0.000 0.768 491 L CB -0.223 41.087 42.059 -1.248 0.000 0.933 491 L HN -0.001 nan 8.230 nan 0.000 0.451 492 F N -0.552 119.110 119.950 -0.480 0.000 2.698 492 F HA 0.246 4.776 4.527 0.005 0.000 0.295 492 F C 2.063 177.776 175.800 -0.145 0.000 1.124 492 F CA 0.306 58.078 58.000 -0.379 0.000 1.426 492 F CB -0.163 38.436 39.000 -0.669 0.000 1.120 492 F HN -0.035 nan 8.300 nan 0.000 0.583 493 R N -0.549 119.911 120.500 -0.067 0.000 2.437 493 R HA 0.198 4.541 4.340 0.005 0.000 0.257 493 R C 0.713 176.956 176.300 -0.095 0.000 0.927 493 R CA 0.284 56.373 56.100 -0.017 0.000 1.078 493 R CB 0.439 30.729 30.300 -0.017 0.000 1.161 493 R HN 0.306 nan 8.270 nan 0.000 0.529 494 E N -0.226 119.870 120.200 -0.174 0.000 3.635 494 E HA 0.026 4.379 4.350 0.005 0.000 0.183 494 E C 1.112 177.558 176.600 -0.257 0.000 1.263 494 E CA -0.261 56.027 56.400 -0.187 0.000 1.427 494 E CB -0.103 29.505 29.700 -0.153 0.000 1.724 494 E HN -0.079 nan 8.360 nan 0.000 0.520 495 L N 2.056 123.102 121.223 -0.295 0.000 1.970 495 L HA -0.143 4.200 4.340 0.005 0.000 0.212 495 L C 2.093 178.708 176.870 -0.425 0.000 1.071 495 L CA 1.802 56.446 54.840 -0.327 0.000 0.751 495 L CB -0.573 41.279 42.059 -0.345 0.000 0.889 495 L HN 0.181 nan 8.230 nan 0.000 0.432 496 L N -0.015 120.879 121.223 -0.548 0.000 2.017 496 L HA -0.122 4.221 4.340 0.005 0.000 0.208 496 L C -0.161 176.185 176.870 -0.874 0.000 1.073 496 L CA 1.486 55.879 54.840 -0.745 0.000 0.745 496 L CB -2.210 39.383 42.059 -0.776 0.000 0.894 496 L HN 0.295 nan 8.230 nan 0.000 0.432 497 P HA -0.164 nan 4.420 nan 0.000 0.216 497 P C 1.732 178.738 177.300 -0.490 0.000 1.150 497 P CA 2.008 64.530 63.100 -0.963 0.000 0.837 497 P CB -0.079 31.265 31.700 -0.593 0.000 0.786 498 S N -0.965 114.516 115.700 -0.366 0.000 2.383 498 S HA -0.116 4.357 4.470 0.005 0.000 0.227 498 S C 1.978 176.451 174.600 -0.213 0.000 1.026 498 S CA 1.842 59.894 58.200 -0.246 0.000 0.981 498 S CB -1.995 61.087 63.200 -0.197 0.000 0.818 498 S HN 0.123 nan 8.310 nan 0.000 0.472 499 T N 2.449 116.862 114.554 -0.236 0.000 2.746 499 T HA -0.013 4.340 4.350 0.005 0.000 0.267 499 T C 1.922 176.572 174.700 -0.084 0.000 1.039 499 T CA 1.413 63.450 62.100 -0.104 0.000 1.142 499 T CB -0.651 68.093 68.868 -0.208 0.000 0.866 499 T HN 0.294 nan 8.240 nan 0.000 0.444 500 V N 1.356 121.113 119.914 -0.262 0.000 2.343 500 V HA -0.181 3.942 4.120 0.005 0.000 0.247 500 V C 2.683 178.693 176.094 -0.139 0.000 1.051 500 V CA 1.812 63.968 62.300 -0.240 0.000 1.036 500 V CB -0.684 30.976 31.823 -0.272 0.000 0.654 500 V HN 0.398 nan 8.190 nan 0.000 0.451 501 K N -0.346 119.955 120.400 -0.166 0.000 2.097 501 K HA -0.194 4.129 4.320 0.005 0.000 0.206 501 K C 2.176 178.682 176.600 -0.156 0.000 1.049 501 K CA 1.920 58.127 56.287 -0.133 0.000 0.933 501 K CB -0.256 32.159 32.500 -0.141 0.000 0.717 501 K HN 0.788 nan 8.250 nan 0.000 0.442 502 E N -2.000 118.071 120.200 -0.215 0.000 2.112 502 E HA -0.032 4.321 4.350 0.005 0.000 0.190 502 E C 1.364 177.632 176.600 -0.554 0.000 0.979 502 E CA 1.371 57.519 56.400 -0.419 0.000 0.814 502 E CB -0.002 29.354 29.700 -0.574 0.000 0.762 502 E HN 0.583 nan 8.360 nan 0.000 0.460 503 F N -0.517 119.334 119.950 -0.165 0.000 2.720 503 F HA 0.245 4.775 4.527 0.005 0.000 0.301 503 F C 0.516 176.176 175.800 -0.233 0.000 1.103 503 F CA -0.155 57.719 58.000 -0.210 0.000 1.291 503 F CB 1.066 39.917 39.000 -0.249 0.000 1.086 503 F HN -0.129 nan 8.300 nan 0.000 0.592 504 D N -0.659 119.739 120.400 -0.003 0.000 3.060 504 D HA 0.087 4.730 4.640 0.005 0.000 0.326 504 D C 1.041 177.387 176.300 0.075 0.000 1.253 504 D CA 0.267 54.296 54.000 0.048 0.000 0.737 504 D CB 0.267 41.145 40.800 0.130 0.000 1.260 504 D HN 0.032 nan 8.370 nan 0.000 0.542 505 S N -0.684 115.047 115.700 0.051 0.000 2.474 505 S HA -0.072 4.401 4.470 0.005 0.000 0.235 505 S C 0.932 175.561 174.600 0.048 0.000 0.997 505 S CA 0.625 58.839 58.200 0.022 0.000 0.949 505 S CB 0.249 63.444 63.200 -0.008 0.000 0.766 505 S HN 0.159 nan 8.310 nan 0.000 0.517 506 D N 0.891 121.337 120.400 0.078 0.000 2.402 506 D HA 0.244 4.887 4.640 0.005 0.000 0.216 506 D C 0.097 176.455 176.300 0.097 0.000 1.128 506 D CA 0.000 54.042 54.000 0.069 0.000 0.833 506 D CB 0.385 41.215 40.800 0.050 0.000 0.971 506 D HN 0.410 nan 8.370 nan 0.000 0.503 507 R N 0.318 120.905 120.500 0.146 0.000 2.460 507 R HA 0.286 4.629 4.340 0.005 0.000 0.303 507 R C -0.305 176.144 176.300 0.249 0.000 0.968 507 R CA -0.828 55.395 56.100 0.205 0.000 0.889 507 R CB 1.576 32.050 30.300 0.289 0.000 1.123 507 R HN -0.118 nan 8.270 nan 0.000 0.455 508 F N 3.216 123.192 119.950 0.045 0.000 2.572 508 F HA 0.035 4.566 4.527 0.006 0.000 0.370 508 F C -0.687 175.202 175.800 0.148 0.000 1.103 508 F CA 0.317 58.315 58.000 -0.003 0.000 1.286 508 F CB 0.277 39.155 39.000 -0.203 0.000 1.105 508 F HN 0.408 nan 8.300 nan 0.000 0.583 509 Y N 6.061 125.917 120.300 -0.741 0.000 2.462 509 Y HA 0.624 5.177 4.550 0.005 0.000 0.346 509 Y C -1.815 173.434 175.900 -1.083 0.000 0.976 509 Y CA -1.067 56.687 58.100 -0.576 0.000 1.044 509 Y CB 1.566 39.908 38.460 -0.197 0.000 1.230 509 Y HN 0.555 nan 8.280 nan 0.000 0.455 510 V N 6.229 125.346 119.914 -1.329 0.000 2.876 510 V HA 0.269 4.392 4.120 0.005 0.000 0.312 510 V C 0.029 175.511 176.094 -1.020 0.000 1.085 510 V CA -0.422 61.325 62.300 -0.921 0.000 0.945 510 V CB 1.607 33.217 31.823 -0.355 0.000 1.017 510 V HN 1.051 nan 8.190 nan 0.000 0.428 511 H N 3.014 121.819 119.070 -0.442 0.000 2.495 511 H HA 0.419 4.978 4.556 0.005 0.000 0.287 511 H C 0.715 176.020 175.328 -0.039 0.000 1.033 511 H CA 0.942 56.909 56.048 -0.135 0.000 1.307 511 H CB 0.203 30.072 29.762 0.179 0.000 1.401 511 H HN 0.547 nan 8.280 nan 0.000 0.555 512 S N -1.056 114.410 115.700 -0.391 0.000 2.567 512 S HA 0.471 4.944 4.470 0.005 0.000 0.270 512 S C -1.621 172.974 174.600 -0.008 0.000 1.152 512 S CA -0.463 57.669 58.200 -0.114 0.000 0.835 512 S CB 1.511 64.712 63.200 0.002 0.000 1.115 512 S HN 0.390 nan 8.310 nan 0.000 0.459 513 S N 2.956 118.732 115.700 0.128 0.000 2.605 513 S HA 0.734 5.207 4.470 0.005 0.000 0.308 513 S C -2.973 171.542 174.600 -0.142 0.000 1.113 513 S CA -1.532 56.781 58.200 0.189 0.000 1.049 513 S CB 1.543 65.084 63.200 0.568 0.000 1.001 513 S HN 0.527 nan 8.310 nan 0.000 0.480 514 P HA 0.189 nan 4.420 nan 0.000 0.279 514 P C 0.135 177.372 177.300 -0.105 0.000 1.239 514 P CA -0.453 62.521 63.100 -0.211 0.000 0.789 514 P CB 0.412 31.975 31.700 -0.228 0.000 0.933 515 Y N 2.690 122.923 120.300 -0.111 0.000 2.373 515 Y HA 0.063 4.615 4.550 0.005 0.000 0.293 515 Y C 1.259 177.163 175.900 0.007 0.000 1.129 515 Y CA 1.038 59.047 58.100 -0.153 0.000 1.226 515 Y CB -0.269 38.057 38.460 -0.224 0.000 1.000 515 Y HN 0.165 nan 8.280 nan 0.000 0.549 516 L N -0.566 120.550 121.223 -0.179 0.000 2.718 516 L HA 0.538 4.881 4.340 0.005 0.000 0.247 516 L C 0.735 177.609 176.870 0.007 0.000 1.028 516 L CA 0.684 55.523 54.840 -0.002 0.000 1.031 516 L CB -0.602 41.483 42.059 0.044 0.000 1.910 516 L HN 0.182 nan 8.230 nan 0.000 0.526 517 A N 2.153 124.920 122.820 -0.088 0.000 2.498 517 A HA 0.240 4.563 4.320 0.005 0.000 0.239 517 A C 0.049 177.710 177.584 0.128 0.000 1.068 517 A CA 0.240 52.317 52.037 0.067 0.000 0.766 517 A CB -0.182 18.866 19.000 0.081 0.000 1.003 517 A HN 0.549 nan 8.150 nan 0.000 0.497 518 N N 2.521 121.326 118.700 0.174 0.000 2.249 518 N HA 0.158 4.901 4.740 0.005 0.000 0.296 518 N C 0.841 176.525 175.510 0.291 0.000 1.051 518 N CA -0.667 52.441 53.050 0.095 0.000 0.815 518 N CB 1.014 39.298 38.487 -0.337 0.000 1.487 518 N HN 0.868 nan 8.380 nan 0.000 0.475 519 W N 3.054 124.514 121.300 0.268 0.000 2.425 519 W HA 0.107 4.769 4.660 0.005 0.000 0.277 519 W C 0.610 177.420 176.519 0.486 0.000 1.231 519 W CA 0.919 58.473 57.345 0.348 0.000 1.248 519 W CB -0.547 29.062 29.460 0.248 0.000 1.117 519 W HN 0.567 nan 8.180 nan 0.000 0.568 520 G N 1.187 109.866 108.800 -0.202 0.000 2.985 520 G HA2 0.078 4.041 3.960 0.005 0.000 0.209 520 G HA3 0.078 4.041 3.960 0.005 0.000 0.209 520 G C 0.659 175.492 174.900 -0.112 0.000 1.165 520 G CA -0.577 44.360 45.100 -0.272 0.000 0.776 520 G HN 0.129 nan 8.290 nan 0.000 0.541 521 R N 0.251 120.712 120.500 -0.064 0.000 2.494 521 R HA 0.240 4.583 4.340 0.005 0.000 0.284 521 R C -2.017 173.917 176.300 -0.610 0.000 1.525 521 R CA -1.561 54.382 56.100 -0.260 0.000 1.460 521 R CB 1.800 31.951 30.300 -0.248 0.000 1.134 521 R HN -0.030 nan 8.270 nan 0.000 0.592 522 P HA -0.281 nan 4.420 nan 0.000 0.217 522 P C 1.140 177.860 177.300 -0.966 0.000 1.148 522 P CA 1.224 63.207 63.100 -1.863 0.000 0.834 522 P CB 0.294 31.303 31.700 -1.152 0.000 0.783 523 E N 0.079 119.980 120.200 -0.497 0.000 2.265 523 E HA -0.144 4.209 4.350 0.005 0.000 0.196 523 E C 1.517 178.040 176.600 -0.130 0.000 0.996 523 E CA 1.822 58.083 56.400 -0.231 0.000 0.832 523 E CB -0.955 28.658 29.700 -0.145 0.000 0.756 523 E HN 0.358 nan 8.360 nan 0.000 0.491 524 S N -0.859 114.751 115.700 -0.151 0.000 2.524 524 S HA 0.017 4.489 4.470 0.005 0.000 0.216 524 S C 1.335 176.046 174.600 0.186 0.000 0.987 524 S CA -0.361 57.853 58.200 0.025 0.000 0.909 524 S CB -0.557 62.673 63.200 0.051 0.000 0.781 524 S HN 0.257 nan 8.310 nan 0.000 0.521 525 W N 2.396 123.734 121.300 0.064 0.000 2.425 525 W HA 0.332 4.995 4.660 0.004 0.000 0.277 525 W C 2.202 178.783 176.519 0.103 0.000 1.231 525 W CA 0.167 57.565 57.345 0.088 0.000 1.248 525 W CB -1.354 28.182 29.460 0.128 0.000 1.117 525 W HN 0.514 nan 8.180 nan 0.000 0.568 526 G N -0.522 108.473 108.800 0.326 0.000 2.920 526 G HA2 0.009 3.972 3.960 0.005 0.000 0.208 526 G HA3 0.009 3.972 3.960 0.005 0.000 0.208 526 G C 0.046 175.010 174.900 0.106 0.000 1.159 526 G CA 0.244 45.471 45.100 0.213 0.000 0.784 526 G HN 0.025 nan 8.290 nan 0.000 0.535 527 T N 1.131 115.745 114.554 0.099 0.000 2.947 527 T HA 0.569 4.922 4.350 0.005 0.000 0.337 527 T C 0.852 175.482 174.700 -0.117 0.000 1.139 527 T CA 0.231 62.362 62.100 0.052 0.000 0.992 527 T CB 1.052 69.960 68.868 0.067 0.000 1.043 527 T HN 0.804 nan 8.240 nan 0.000 0.498 528 G N 4.144 112.934 108.800 -0.018 0.000 2.569 528 G HA2 -0.201 3.762 3.960 0.005 0.000 0.259 528 G HA3 -0.201 3.762 3.960 0.005 0.000 0.259 528 G C -0.536 174.224 174.900 -0.234 0.000 1.263 528 G CA -0.130 44.882 45.100 -0.146 0.000 0.928 528 G HN 0.852 nan 8.290 nan 0.000 0.572 529 D N 0.003 120.100 120.400 -0.504 0.000 2.283 529 D HA 0.580 5.223 4.640 0.005 0.000 0.248 529 D C -0.126 176.121 176.300 -0.089 0.000 1.072 529 D CA 0.163 54.002 54.000 -0.269 0.000 0.929 529 D CB 1.496 42.031 40.800 -0.442 0.000 1.182 529 D HN 0.469 nan 8.370 nan 0.000 0.433 530 S N -0.208 115.528 115.700 0.061 0.000 2.503 530 S HA 0.265 4.738 4.470 0.005 0.000 0.301 530 S C -0.647 174.118 174.600 0.275 0.000 1.087 530 S CA -0.724 57.535 58.200 0.099 0.000 1.042 530 S CB 1.030 64.219 63.200 -0.018 0.000 1.043 530 S HN 0.398 nan 8.310 nan 0.000 0.489 531 H N 2.475 121.614 119.070 0.115 0.000 2.746 531 H HA 0.208 4.767 4.556 0.005 0.000 0.269 531 H C -0.264 175.088 175.328 0.039 0.000 1.248 531 H CA -0.619 55.499 56.048 0.117 0.000 1.258 531 H CB 0.334 30.331 29.762 0.391 0.000 1.441 531 H HN 0.328 nan 8.280 nan 0.000 0.508 532 N N 3.134 121.783 118.700 -0.085 0.000 2.508 532 N HA -0.055 4.688 4.740 0.005 0.000 0.253 532 N C -0.322 174.964 175.510 -0.374 0.000 1.145 532 N CA -0.258 52.709 53.050 -0.140 0.000 0.973 532 N CB -0.005 38.338 38.487 -0.240 0.000 1.305 532 N HN 0.574 nan 8.380 nan 0.000 0.506 533 W N 1.751 122.924 121.300 -0.211 0.000 3.391 533 W HA 0.345 5.008 4.660 0.006 0.000 0.372 533 W C 1.857 177.723 176.519 -1.089 0.000 1.171 533 W CA -0.659 56.409 57.345 -0.462 0.000 1.862 533 W CB 0.380 29.738 29.460 -0.171 0.000 1.048 533 W HN 0.586 nan 8.180 nan 0.000 0.726 534 G N 0.326 108.687 108.800 -0.732 0.000 2.418 534 G HA2 -0.168 3.795 3.960 0.005 0.000 0.217 534 G HA3 -0.168 3.795 3.960 0.005 0.000 0.217 534 G C 0.634 175.433 174.900 -0.169 0.000 1.158 534 G CA 0.467 45.260 45.100 -0.512 0.000 0.771 534 G HN -0.028 nan 8.290 nan 0.000 0.545 535 V N 0.662 120.558 119.914 -0.030 0.000 2.686 535 V HA 0.274 4.397 4.120 0.005 0.000 0.295 535 V C 0.848 177.105 176.094 0.272 0.000 1.055 535 V CA -0.166 62.209 62.300 0.126 0.000 1.050 535 V CB 0.751 32.662 31.823 0.148 0.000 0.984 535 V HN 0.613 nan 8.190 nan 0.000 0.482 536 W N 3.409 124.755 121.300 0.077 0.000 1.733 536 W HA -0.404 4.259 4.660 0.005 0.000 0.277 536 W C 1.356 177.854 176.519 -0.035 0.000 1.870 536 W CA 1.835 59.160 57.345 -0.033 0.000 2.184 536 W CB -1.416 28.078 29.460 0.057 0.000 0.966 536 W HN 0.583 nan 8.180 nan 0.000 0.442 537 Y N 1.209 121.594 120.300 0.142 0.000 2.181 537 Y HA 0.028 4.580 4.550 0.005 0.000 0.288 537 Y C 2.701 178.547 175.900 -0.090 0.000 1.146 537 Y CA 2.669 60.733 58.100 -0.059 0.000 1.164 537 Y CB -1.437 37.045 38.460 0.037 0.000 0.982 537 Y HN 0.282 nan 8.280 nan 0.000 0.515 538 G N -0.808 107.906 108.800 -0.143 0.000 2.920 538 G HA2 -0.056 3.907 3.960 0.005 0.000 0.208 538 G HA3 -0.056 3.907 3.960 0.005 0.000 0.208 538 G C 0.798 175.754 174.900 0.093 0.000 1.159 538 G CA 0.248 45.346 45.100 -0.004 0.000 0.784 538 G HN 0.358 nan 8.290 nan 0.000 0.535 539 K N -0.995 119.451 120.400 0.076 0.000 3.274 539 K HA -0.201 4.122 4.320 0.005 0.000 0.305 539 K C 0.251 176.837 176.600 -0.024 0.000 1.225 539 K CA 0.877 57.196 56.287 0.053 0.000 0.904 539 K CB -0.957 31.525 32.500 -0.029 0.000 1.227 539 K HN 0.410 nan 8.250 nan 0.000 0.453 540 K N 1.161 121.599 120.400 0.063 0.000 2.382 540 K HA 0.096 4.419 4.320 0.005 0.000 0.275 540 K C -2.336 174.239 176.600 -0.042 0.000 1.009 540 K CA -1.458 54.845 56.287 0.026 0.000 0.970 540 K CB 0.280 32.829 32.500 0.081 0.000 0.934 540 K HN -0.138 nan 8.250 nan 0.000 0.479 541 P HA -0.077 nan 4.420 nan 0.000 0.269 541 P C 0.102 177.397 177.300 -0.009 0.000 1.217 541 P CA 0.094 63.123 63.100 -0.119 0.000 0.783 541 P CB 0.298 31.967 31.700 -0.051 0.000 0.898 542 F N 0.163 120.189 119.950 0.127 0.000 2.269 542 F HA -0.147 4.383 4.527 0.005 0.000 0.301 542 F C 2.007 177.872 175.800 0.109 0.000 1.082 542 F CA 1.518 59.580 58.000 0.103 0.000 1.360 542 F CB -0.931 38.073 39.000 0.007 0.000 1.041 542 F HN 0.349 nan 8.300 nan 0.000 0.512 543 E N -0.131 120.193 120.200 0.207 0.000 2.265 543 E HA -0.158 4.195 4.350 0.005 0.000 0.196 543 E C 2.279 178.982 176.600 0.172 0.000 0.996 543 E CA 1.142 57.652 56.400 0.184 0.000 0.832 543 E CB -0.519 29.233 29.700 0.088 0.000 0.756 543 E HN 0.365 nan 8.360 nan 0.000 0.491 544 S N 0.162 115.943 115.700 0.134 0.000 2.442 544 S HA -0.126 4.347 4.470 0.005 0.000 0.236 544 S C 1.813 176.462 174.600 0.081 0.000 1.007 544 S CA 0.645 58.908 58.200 0.106 0.000 0.965 544 S CB -0.357 62.900 63.200 0.095 0.000 0.773 544 S HN 0.249 nan 8.310 nan 0.000 0.504 545 L N 1.208 122.491 121.223 0.099 0.000 2.362 545 L HA -0.018 4.325 4.340 0.005 0.000 0.219 545 L C 1.928 178.791 176.870 -0.013 0.000 1.134 545 L CA 0.959 55.814 54.840 0.025 0.000 0.807 545 L CB -0.473 41.592 42.059 0.009 0.000 0.927 545 L HN 0.273 nan 8.230 nan 0.000 0.447 546 D N -0.785 119.631 120.400 0.027 0.000 2.234 546 D HA -0.101 4.542 4.640 0.005 0.000 0.205 546 D C 2.131 178.439 176.300 0.013 0.000 0.962 546 D CA 1.840 55.833 54.000 -0.011 0.000 0.855 546 D CB 0.177 41.002 40.800 0.041 0.000 0.951 546 D HN 0.418 nan 8.370 nan 0.000 0.500 547 T N -2.321 112.263 114.554 0.050 0.000 3.023 547 T HA 0.020 4.373 4.350 0.005 0.000 0.249 547 T C 0.472 175.238 174.700 0.110 0.000 1.050 547 T CA -0.122 62.024 62.100 0.076 0.000 1.088 547 T CB 0.297 69.228 68.868 0.106 0.000 0.946 547 T HN -0.253 nan 8.240 nan 0.000 0.480 548 D N 2.181 122.614 120.400 0.056 0.000 2.518 548 D HA 0.454 5.097 4.640 0.005 0.000 0.230 548 D C -0.652 175.543 176.300 -0.176 0.000 1.138 548 D CA -0.200 53.766 54.000 -0.055 0.000 0.964 548 D CB 0.547 41.161 40.800 -0.309 0.000 1.011 548 D HN 0.430 nan 8.370 nan 0.000 0.517 549 L N 2.864 124.103 121.223 0.028 0.000 2.325 549 L HA 0.503 4.846 4.340 0.005 0.000 0.279 549 L C -2.001 174.980 176.870 0.185 0.000 1.054 549 L CA -1.569 53.317 54.840 0.076 0.000 0.804 549 L CB 1.484 43.615 42.059 0.120 0.000 1.200 549 L HN 0.056 nan 8.230 nan 0.000 0.436 550 P HA 0.397 nan 4.420 nan 0.000 0.288 550 P C -0.363 177.007 177.300 0.118 0.000 1.297 550 P CA -0.745 62.401 63.100 0.076 0.000 0.864 550 P CB 1.439 33.071 31.700 -0.115 0.000 1.237 551 R N -0.566 119.956 120.500 0.038 0.000 2.193 551 R HA 0.244 4.587 4.340 0.005 0.000 0.213 551 R C 0.152 176.575 176.300 0.205 0.000 1.055 551 R CA 0.609 56.706 56.100 -0.005 0.000 0.995 551 R CB -0.845 29.465 30.300 0.018 0.000 0.893 551 R HN 0.579 nan 8.270 nan 0.000 0.459 552 F N -0.264 119.684 119.950 -0.002 0.000 2.683 552 F HA 0.256 4.785 4.527 0.004 0.000 0.333 552 F C -1.317 174.442 175.800 -0.069 0.000 1.160 552 F CA -1.167 56.846 58.000 0.021 0.000 1.099 552 F CB 1.122 40.263 39.000 0.235 0.000 1.344 552 F HN -0.244 nan 8.300 nan 0.000 0.534 553 M N 5.316 124.728 119.600 -0.315 0.000 2.201 553 M HA 0.248 4.731 4.480 0.005 0.000 0.345 553 M C 0.503 176.815 176.300 0.019 0.000 1.352 553 M CA 0.284 55.453 55.300 -0.219 0.000 1.218 553 M CB 0.649 32.908 32.600 -0.569 0.000 1.512 553 M HN 0.536 nan 8.290 nan 0.000 0.447 554 S N 2.449 118.292 115.700 0.239 0.000 2.528 554 S HA 0.268 4.741 4.470 0.005 0.000 0.219 554 S C 0.077 174.631 174.600 -0.076 0.000 0.985 554 S CA -0.037 58.261 58.200 0.163 0.000 0.914 554 S CB -0.100 63.186 63.200 0.143 0.000 0.776 554 S HN 0.740 nan 8.310 nan 0.000 0.526 555 E N -0.057 120.093 120.200 -0.084 0.000 2.363 555 E HA 0.589 4.942 4.350 0.005 0.000 0.281 555 E C -1.600 174.942 176.600 -0.096 0.000 0.953 555 E CA -0.818 55.514 56.400 -0.113 0.000 0.778 555 E CB 2.379 31.869 29.700 -0.349 0.000 1.220 555 E HN 0.434 nan 8.360 nan 0.000 0.431 556 F N -0.701 119.009 119.950 -0.400 0.000 2.719 556 F HA 0.844 5.374 4.527 0.005 0.000 0.309 556 F C -0.624 174.908 175.800 -0.446 0.000 1.138 556 F CA -0.594 56.967 58.000 -0.732 0.000 0.943 556 F CB 1.624 40.409 39.000 -0.357 0.000 1.304 556 F HN 0.589 nan 8.300 nan 0.000 0.445 557 G N 0.770 109.143 108.800 -0.711 0.000 2.506 557 G HA2 0.584 4.547 3.960 0.005 0.000 0.292 557 G HA3 0.584 4.547 3.960 0.005 0.000 0.292 557 G C -2.784 172.286 174.900 0.284 0.000 1.425 557 G CA -0.860 44.132 45.100 -0.180 0.000 0.788 557 G HN 1.112 nan 8.290 nan 0.000 0.490 558 F N 0.012 120.050 119.950 0.147 0.000 2.635 558 F HA 0.519 5.049 4.527 0.005 0.000 0.314 558 F C -0.269 175.247 175.800 -0.472 0.000 1.119 558 F CA -0.651 57.297 58.000 -0.088 0.000 1.000 558 F CB 2.006 41.037 39.000 0.051 0.000 1.278 558 F HN 0.541 nan 8.300 nan 0.000 0.446 559 Q N 2.528 121.321 119.800 -1.679 0.000 2.368 559 Q HA 0.618 4.961 4.340 0.005 0.000 0.237 559 Q C -0.837 174.828 176.000 -0.559 0.000 0.987 559 Q CA -0.336 54.661 55.803 -1.343 0.000 0.896 559 Q CB 1.692 29.438 28.738 -1.653 0.000 1.241 559 Q HN 0.695 nan 8.270 nan 0.000 0.485 560 S N 0.380 115.844 115.700 -0.394 0.000 2.541 560 S HA 0.508 4.981 4.470 0.005 0.000 0.271 560 S C -0.797 173.738 174.600 -0.109 0.000 1.133 560 S CA -0.881 57.222 58.200 -0.162 0.000 0.876 560 S CB 0.601 63.695 63.200 -0.176 0.000 1.105 560 S HN 0.430 nan 8.310 nan 0.000 0.470 561 F N 3.151 123.001 119.950 -0.165 0.000 2.572 561 F HA 0.311 4.840 4.527 0.005 0.000 0.370 561 F C -1.372 174.356 175.800 -0.120 0.000 1.103 561 F CA -0.973 56.975 58.000 -0.085 0.000 1.286 561 F CB 0.733 39.725 39.000 -0.014 0.000 1.105 561 F HN 0.432 nan 8.300 nan 0.000 0.583 562 P HA 0.052 nan 4.420 nan 0.000 0.274 562 P C -0.994 176.357 177.300 0.085 0.000 1.256 562 P CA -0.532 62.594 63.100 0.044 0.000 0.795 562 P CB 0.620 32.359 31.700 0.064 0.000 1.038 563 E N 0.785 121.037 120.200 0.087 0.000 2.410 563 E HA 0.042 4.395 4.350 0.005 0.000 0.255 563 E C 1.098 177.754 176.600 0.093 0.000 1.194 563 E CA -0.633 55.839 56.400 0.120 0.000 0.955 563 E CB 0.105 29.957 29.700 0.254 0.000 0.988 563 E HN 0.158 nan 8.360 nan 0.000 0.461 564 M N 1.206 120.844 119.600 0.064 0.000 2.149 564 M HA -0.184 4.299 4.480 0.005 0.000 0.261 564 M C 2.042 178.312 176.300 -0.051 0.000 1.064 564 M CA 2.089 57.360 55.300 -0.049 0.000 1.102 564 M CB -1.278 31.284 32.600 -0.064 0.000 1.369 564 M HN 0.696 nan 8.290 nan 0.000 0.408 565 K N -1.312 119.101 120.400 0.021 0.000 2.209 565 K HA -0.084 4.239 4.320 0.005 0.000 0.204 565 K C 1.660 178.259 176.600 -0.002 0.000 1.048 565 K CA 1.700 57.989 56.287 0.004 0.000 0.940 565 K CB -0.678 31.831 32.500 0.014 0.000 0.729 565 K HN 0.179 nan 8.250 nan 0.000 0.451 566 T N 1.970 116.569 114.554 0.074 0.000 2.809 566 T HA 0.053 4.406 4.350 0.005 0.000 0.260 566 T C 1.944 176.689 174.700 0.073 0.000 1.039 566 T CA 1.042 63.263 62.100 0.200 0.000 1.141 566 T CB -0.172 68.891 68.868 0.324 0.000 0.869 566 T HN 0.158 nan 8.240 nan 0.000 0.437 567 I N 1.671 122.168 120.570 -0.122 0.000 2.194 567 I HA -0.229 3.944 4.170 0.005 0.000 0.246 567 I C 2.867 178.578 176.117 -0.676 0.000 1.093 567 I CA 1.228 62.149 61.300 -0.632 0.000 1.355 567 I CB -0.458 37.326 38.000 -0.361 0.000 1.046 567 I HN 0.193 nan 8.210 nan 0.000 0.413 568 A N 0.592 123.258 122.820 -0.256 0.000 2.070 568 A HA -0.079 4.244 4.320 0.005 0.000 0.220 568 A C 2.496 180.098 177.584 0.031 0.000 1.159 568 A CA 1.561 53.591 52.037 -0.012 0.000 0.656 568 A CB -0.619 18.427 19.000 0.076 0.000 0.800 568 A HN 0.449 nan 8.150 nan 0.000 0.453 569 A N -0.566 122.270 122.820 0.027 0.000 2.015 569 A HA 0.114 4.437 4.320 0.005 0.000 0.219 569 A C 1.664 179.479 177.584 0.384 0.000 1.163 569 A CA 1.467 53.630 52.037 0.211 0.000 0.646 569 A CB -0.593 18.581 19.000 0.290 0.000 0.806 569 A HN 1.111 nan 8.150 nan 0.000 0.448 570 F N -3.290 116.730 119.950 0.116 0.000 2.728 570 F HA 0.747 5.277 4.527 0.005 0.000 0.314 570 F C 0.329 175.793 175.800 -0.559 0.000 1.094 570 F CA -0.546 57.340 58.000 -0.190 0.000 1.217 570 F CB -0.076 38.674 39.000 -0.416 0.000 1.056 570 F HN 0.176 nan 8.300 nan 0.000 0.577 571 A N 1.205 123.771 122.820 -0.423 0.000 2.422 571 A HA 0.855 5.178 4.320 0.005 0.000 0.302 571 A C -0.415 177.176 177.584 0.011 0.000 1.041 571 A CA -0.430 51.454 52.037 -0.255 0.000 0.708 571 A CB 0.726 19.549 19.000 -0.296 0.000 1.257 571 A HN 0.538 nan 8.150 nan 0.000 0.414 572 A N 2.562 125.379 122.820 -0.004 0.000 2.287 572 A HA 0.682 5.005 4.320 0.005 0.000 0.273 572 A C -1.714 175.581 177.584 -0.481 0.000 1.091 572 A CA -1.427 50.566 52.037 -0.074 0.000 0.817 572 A CB -0.145 18.859 19.000 0.007 0.000 1.069 572 A HN 0.509 nan 8.150 nan 0.000 0.492 573 P HA -0.133 nan 4.420 nan 0.000 0.219 573 P C 0.616 177.466 177.300 -0.750 0.000 1.146 573 P CA 1.456 63.767 63.100 -1.315 0.000 0.808 573 P CB 0.105 31.409 31.700 -0.661 0.000 0.779 574 E N -0.466 119.506 120.200 -0.380 0.000 2.265 574 E HA -0.149 4.204 4.350 0.005 0.000 0.196 574 E C 1.150 177.639 176.600 -0.185 0.000 0.996 574 E CA 1.016 57.289 56.400 -0.213 0.000 0.832 574 E CB -0.811 28.817 29.700 -0.120 0.000 0.756 574 E HN 0.363 nan 8.360 nan 0.000 0.491 575 D N -0.325 119.951 120.400 -0.207 0.000 2.339 575 D HA -0.050 4.593 4.640 0.005 0.000 0.217 575 D C -0.236 176.009 176.300 -0.091 0.000 1.050 575 D CA 0.178 54.116 54.000 -0.103 0.000 0.856 575 D CB 0.107 40.880 40.800 -0.044 0.000 0.922 575 D HN 0.212 nan 8.370 nan 0.000 0.518 576 Y N 2.172 122.276 120.300 -0.328 0.000 2.734 576 Y HA 0.201 4.754 4.550 0.005 0.000 0.353 576 Y C 0.676 175.939 175.900 -1.063 0.000 1.244 576 Y CA -0.228 57.463 58.100 -0.681 0.000 1.950 576 Y CB -0.774 37.479 38.460 -0.345 0.000 2.028 576 Y HN -0.175 nan 8.280 nan 0.000 0.421 577 Q N 0.205 119.527 119.800 -0.798 0.000 2.389 577 Q HA 0.349 4.692 4.340 0.005 0.000 0.277 577 Q C 1.169 176.960 176.000 -0.348 0.000 1.082 577 Q CA -0.691 54.776 55.803 -0.560 0.000 0.810 577 Q CB 2.366 30.977 28.738 -0.211 0.000 1.374 577 Q HN 0.458 nan 8.270 nan 0.000 0.422 578 I N 0.437 120.959 120.570 -0.080 0.000 2.194 578 I HA -0.271 3.902 4.170 0.005 0.000 0.246 578 I C 0.979 177.185 176.117 0.148 0.000 1.093 578 I CA 1.451 62.828 61.300 0.128 0.000 1.355 578 I CB 0.173 38.108 38.000 -0.108 0.000 1.046 578 I HN 0.458 nan 8.210 nan 0.000 0.413 579 E N 0.863 121.085 120.200 0.038 0.000 2.569 579 E HA 0.124 4.477 4.350 0.005 0.000 0.205 579 E C 0.473 177.089 176.600 0.027 0.000 1.006 579 E CA -0.020 56.407 56.400 0.045 0.000 0.985 579 E CB 0.226 29.939 29.700 0.021 0.000 1.060 579 E HN 0.401 nan 8.360 nan 0.000 0.460 580 S N 0.023 115.730 115.700 0.012 0.000 2.576 580 S HA 0.050 4.523 4.470 0.005 0.000 0.272 580 S C 1.232 175.863 174.600 0.052 0.000 1.352 580 S CA -0.342 57.865 58.200 0.012 0.000 1.021 580 S CB 1.896 65.088 63.200 -0.015 0.000 0.887 580 S HN 0.177 nan 8.310 nan 0.000 0.542 581 E N 0.673 120.902 120.200 0.048 0.000 2.118 581 E HA -0.126 4.227 4.350 0.005 0.000 0.195 581 E C 1.729 178.390 176.600 0.101 0.000 0.992 581 E CA 1.316 57.755 56.400 0.065 0.000 0.804 581 E CB -0.167 29.566 29.700 0.055 0.000 0.741 581 E HN 0.614 nan 8.360 nan 0.000 0.458 582 V N 0.770 120.751 119.914 0.113 0.000 2.358 582 V HA -0.263 3.860 4.120 0.005 0.000 0.246 582 V C 2.373 178.631 176.094 0.272 0.000 1.047 582 V CA 1.716 64.124 62.300 0.180 0.000 1.035 582 V CB -0.367 31.530 31.823 0.122 0.000 0.658 582 V HN 0.340 nan 8.190 nan 0.000 0.452 583 M N 0.615 120.349 119.600 0.224 0.000 2.159 583 M HA -0.124 4.359 4.480 0.005 0.000 0.263 583 M C 1.808 178.222 176.300 0.191 0.000 1.063 583 M CA 1.694 57.160 55.300 0.277 0.000 1.110 583 M CB -0.778 31.976 32.600 0.256 0.000 1.374 583 M HN 0.305 nan 8.290 nan 0.000 0.411 584 N N 0.239 119.025 118.700 0.142 0.000 2.216 584 N HA 0.009 4.752 4.740 0.005 0.000 0.183 584 N C 1.686 177.237 175.510 0.067 0.000 1.017 584 N CA 1.382 54.487 53.050 0.092 0.000 0.861 584 N CB -0.673 37.856 38.487 0.071 0.000 0.986 584 N HN 0.440 nan 8.380 nan 0.000 0.428 585 A N 0.628 123.502 122.820 0.090 0.000 2.016 585 A HA -0.246 4.077 4.320 0.005 0.000 0.225 585 A C 1.021 178.538 177.584 -0.111 0.000 1.230 585 A CA 2.053 54.122 52.037 0.052 0.000 0.678 585 A CB -0.871 18.201 19.000 0.119 0.000 0.826 585 A HN 0.526 nan 8.150 nan 0.000 0.484 586 H N -2.738 116.239 119.070 -0.156 0.000 2.486 586 H HA 0.449 5.008 4.556 0.005 0.000 0.284 586 H C -0.215 174.895 175.328 -0.363 0.000 1.103 586 H CA 0.353 56.113 56.048 -0.480 0.000 1.089 586 H CB 0.529 29.625 29.762 -1.112 0.000 1.603 586 H HN 0.462 nan 8.280 nan 0.000 0.557 587 Q N 1.146 120.889 119.800 -0.095 0.000 2.397 587 Q HA 0.251 4.594 4.340 0.005 0.000 0.260 587 Q C -0.348 175.650 176.000 -0.004 0.000 1.002 587 Q CA -0.577 55.166 55.803 -0.101 0.000 0.716 587 Q CB 0.686 29.377 28.738 -0.078 0.000 1.258 587 Q HN -0.098 nan 8.270 nan 0.000 0.477 588 K N 1.265 121.694 120.400 0.049 0.000 2.374 588 K HA 0.198 4.521 4.320 0.005 0.000 0.196 588 K C -0.134 176.537 176.600 0.118 0.000 1.023 588 K CA 0.007 56.354 56.287 0.100 0.000 1.103 588 K CB 0.818 33.439 32.500 0.202 0.000 0.848 588 K HN 0.425 nan 8.250 nan 0.000 0.528 589 S N 1.413 117.185 115.700 0.121 0.000 2.420 589 S HA 0.115 4.588 4.470 0.005 0.000 0.313 589 S C 1.153 175.831 174.600 0.130 0.000 1.079 589 S CA -0.416 57.904 58.200 0.200 0.000 1.104 589 S CB 0.824 64.194 63.200 0.283 0.000 0.969 589 S HN 0.283 nan 8.310 nan 0.000 0.471 590 S N 4.856 120.616 115.700 0.101 0.000 2.481 590 S HA -0.064 4.409 4.470 0.005 0.000 0.231 590 S C 1.431 176.067 174.600 0.061 0.000 0.996 590 S CA 0.835 59.069 58.200 0.057 0.000 0.942 590 S CB -0.747 62.468 63.200 0.025 0.000 0.768 590 S HN 0.922 nan 8.310 nan 0.000 0.520 591 I N -2.033 118.589 120.570 0.086 0.000 3.956 591 I HA 0.511 4.684 4.170 0.005 0.000 0.333 591 I C 1.994 178.107 176.117 -0.006 0.000 1.302 591 I CA 0.060 61.377 61.300 0.028 0.000 1.122 591 I CB -0.580 37.420 38.000 0.000 0.000 1.013 591 I HN 0.191 nan 8.210 nan 0.000 0.405 592 G N 2.234 111.100 108.800 0.110 0.000 2.446 592 G HA2 -0.254 3.709 3.960 0.005 0.000 0.217 592 G HA3 -0.254 3.709 3.960 0.005 0.000 0.217 592 G C 1.305 176.305 174.900 0.166 0.000 1.168 592 G CA 1.002 46.231 45.100 0.215 0.000 0.771 592 G HN 0.366 nan 8.290 nan 0.000 0.551 593 N N 0.588 119.387 118.700 0.164 0.000 2.142 593 N HA -0.097 4.646 4.740 0.005 0.000 0.186 593 N C 2.427 178.030 175.510 0.155 0.000 1.023 593 N CA 1.357 54.546 53.050 0.232 0.000 0.852 593 N CB -0.510 38.105 38.487 0.213 0.000 0.998 593 N HN 0.322 nan 8.380 nan 0.000 0.424 594 S N 0.700 116.443 115.700 0.072 0.000 2.356 594 S HA 0.024 4.497 4.470 0.005 0.000 0.223 594 S C 2.005 176.617 174.600 0.020 0.000 1.032 594 S CA 0.591 58.812 58.200 0.036 0.000 1.005 594 S CB -0.269 62.932 63.200 0.003 0.000 0.867 594 S HN 0.219 nan 8.310 nan 0.000 0.449 595 L N 0.796 121.960 121.223 -0.098 0.000 2.046 595 L HA -0.094 4.249 4.340 0.005 0.000 0.208 595 L C 2.467 179.407 176.870 0.118 0.000 1.077 595 L CA 1.391 56.126 54.840 -0.174 0.000 0.747 595 L CB -0.562 40.922 42.059 -0.959 0.000 0.896 595 L HN 0.380 nan 8.230 nan 0.000 0.432 596 I N -0.496 120.172 120.570 0.164 0.000 2.127 596 I HA -0.325 3.848 4.170 0.005 0.000 0.241 596 I C 2.798 179.148 176.117 0.389 0.000 1.075 596 I CA 1.400 62.913 61.300 0.355 0.000 1.334 596 I CB -0.340 37.886 38.000 0.375 0.000 1.040 596 I HN 0.207 nan 8.210 nan 0.000 0.405 597 R N 0.034 120.735 120.500 0.335 0.000 2.091 597 R HA -0.152 4.191 4.340 0.005 0.000 0.238 597 R C 2.326 178.758 176.300 0.220 0.000 1.136 597 R CA 2.038 58.314 56.100 0.293 0.000 0.959 597 R CB -0.845 29.572 30.300 0.195 0.000 0.856 597 R HN 0.367 nan 8.270 nan 0.000 0.437 598 T N 0.369 115.034 114.554 0.185 0.000 2.684 598 T HA -0.185 4.168 4.350 0.005 0.000 0.267 598 T C 1.562 176.331 174.700 0.115 0.000 1.036 598 T CA 1.526 63.688 62.100 0.103 0.000 1.148 598 T CB -0.369 68.520 68.868 0.035 0.000 0.863 598 T HN 0.254 nan 8.240 nan 0.000 0.436 599 Y N 0.571 120.956 120.300 0.140 0.000 2.242 599 Y HA 0.036 4.589 4.550 0.005 0.000 0.291 599 Y C 2.547 178.553 175.900 0.178 0.000 1.137 599 Y CA 0.988 59.186 58.100 0.163 0.000 1.181 599 Y CB -0.371 38.287 38.460 0.329 0.000 0.989 599 Y HN 0.130 nan 8.280 nan 0.000 0.527 600 M N -0.090 119.729 119.600 0.365 0.000 2.108 600 M HA -0.250 4.232 4.480 0.005 0.000 0.261 600 M C 2.305 178.736 176.300 0.217 0.000 1.066 600 M CA 1.866 57.331 55.300 0.275 0.000 1.107 600 M CB -0.153 32.543 32.600 0.161 0.000 1.356 600 M HN 0.181 nan 8.290 nan 0.000 0.406 601 E N 0.648 120.935 120.200 0.145 0.000 2.204 601 E HA -0.209 4.144 4.350 0.005 0.000 0.195 601 E C 1.798 178.410 176.600 0.019 0.000 0.990 601 E CA 1.258 57.700 56.400 0.070 0.000 0.821 601 E CB -0.118 29.610 29.700 0.048 0.000 0.750 601 E HN 0.585 nan 8.360 nan 0.000 0.477 602 R N 0.078 120.587 120.500 0.014 0.000 2.120 602 R HA -0.082 4.261 4.340 0.005 0.000 0.234 602 R C 1.473 177.724 176.300 -0.081 0.000 1.123 602 R CA 1.521 57.596 56.100 -0.041 0.000 0.975 602 R CB 0.073 30.334 30.300 -0.067 0.000 0.866 602 R HN 0.175 nan 8.270 nan 0.000 0.446 603 D N -2.368 117.970 120.400 -0.102 0.000 2.480 603 D HA 0.093 4.736 4.640 0.005 0.000 0.243 603 D C -0.550 175.345 176.300 -0.675 0.000 1.120 603 D CA 0.395 54.170 54.000 -0.374 0.000 0.835 603 D CB 0.845 41.376 40.800 -0.447 0.000 1.204 603 D HN 0.004 nan 8.370 nan 0.000 0.513 604 Y N 0.228 120.478 120.300 -0.084 0.000 2.553 604 Y HA 0.426 4.979 4.550 0.005 0.000 0.347 604 Y C 0.069 175.905 175.900 -0.108 0.000 1.019 604 Y CA -0.923 57.113 58.100 -0.107 0.000 1.032 604 Y CB 1.591 39.978 38.460 -0.123 0.000 1.284 604 Y HN -0.310 nan 8.280 nan 0.000 0.466 605 I N 3.465 124.036 120.570 0.001 0.000 2.517 605 I HA 0.068 4.241 4.170 0.005 0.000 0.285 605 I C -0.187 175.951 176.117 0.034 0.000 1.106 605 I CA 0.311 61.558 61.300 -0.088 0.000 1.402 605 I CB 0.184 37.941 38.000 -0.405 0.000 1.399 605 I HN 0.359 nan 8.210 nan 0.000 0.535 606 I N 9.229 129.830 120.570 0.052 0.000 2.505 606 I HA 0.089 4.261 4.170 0.005 0.000 0.287 606 I C -1.859 174.325 176.117 0.112 0.000 1.104 606 I CA -1.429 59.935 61.300 0.107 0.000 1.387 606 I CB -0.086 37.991 38.000 0.128 0.000 1.404 606 I HN 0.326 nan 8.210 nan 0.000 0.528 607 P HA 0.111 nan 4.420 nan 0.000 0.272 607 P C 0.184 177.557 177.300 0.122 0.000 1.223 607 P CA -0.282 62.901 63.100 0.139 0.000 0.784 607 P CB 0.725 32.504 31.700 0.131 0.000 0.923 608 E N -0.105 120.154 120.200 0.099 0.000 2.158 608 E HA -0.038 4.315 4.350 0.005 0.000 0.191 608 E C 0.543 177.190 176.600 0.078 0.000 0.982 608 E CA 0.628 57.073 56.400 0.074 0.000 0.823 608 E CB 0.059 29.796 29.700 0.062 0.000 0.766 608 E HN 0.522 nan 8.360 nan 0.000 0.468 609 S N -0.515 115.240 115.700 0.092 0.000 2.586 609 S HA 0.099 4.572 4.470 0.005 0.000 0.274 609 S C 0.638 175.326 174.600 0.147 0.000 1.281 609 S CA -0.840 57.428 58.200 0.112 0.000 1.035 609 S CB 1.213 64.469 63.200 0.093 0.000 0.962 609 S HN 0.167 nan 8.310 nan 0.000 0.512 610 F N 2.415 122.384 119.950 0.031 0.000 2.102 610 F HA -0.023 4.507 4.527 0.005 0.000 0.298 610 F C 1.974 177.811 175.800 0.062 0.000 1.105 610 F CA 2.008 60.016 58.000 0.014 0.000 1.239 610 F CB -0.597 38.405 39.000 0.002 0.000 0.991 610 F HN 0.742 nan 8.300 nan 0.000 0.474 611 E N 0.301 120.522 120.200 0.036 0.000 2.110 611 E HA -0.199 4.154 4.350 0.005 0.000 0.193 611 E C 1.841 178.410 176.600 -0.052 0.000 0.988 611 E CA 1.619 57.975 56.400 -0.073 0.000 0.804 611 E CB -0.417 29.305 29.700 0.037 0.000 0.745 611 E HN 0.412 nan 8.360 nan 0.000 0.458 612 D N -0.349 120.064 120.400 0.021 0.000 2.149 612 D HA -0.121 4.522 4.640 0.005 0.000 0.201 612 D C 1.580 177.894 176.300 0.022 0.000 0.972 612 D CA 0.520 54.569 54.000 0.083 0.000 0.835 612 D CB -0.308 40.548 40.800 0.093 0.000 0.966 612 D HN 0.138 nan 8.370 nan 0.000 0.476 613 F N 1.523 121.363 119.950 -0.184 0.000 2.095 613 F HA -0.246 4.284 4.527 0.005 0.000 0.298 613 F C 2.117 177.684 175.800 -0.390 0.000 1.104 613 F CA 1.157 58.991 58.000 -0.277 0.000 1.232 613 F CB -0.336 38.477 39.000 -0.311 0.000 0.987 613 F HN -0.209 nan 8.300 nan 0.000 0.475 614 V N 0.258 119.910 119.914 -0.436 0.000 2.252 614 V HA -0.359 3.764 4.120 0.005 0.000 0.249 614 V C 2.178 178.062 176.094 -0.350 0.000 1.056 614 V CA 2.379 64.392 62.300 -0.477 0.000 1.022 614 V CB -1.337 30.228 31.823 -0.431 0.000 0.641 614 V HN 0.642 nan 8.190 nan 0.000 0.445 615 Y N 1.036 121.164 120.300 -0.286 0.000 2.097 615 Y HA -0.240 4.313 4.550 0.005 0.000 0.282 615 Y C 2.335 178.047 175.900 -0.313 0.000 1.152 615 Y CA 2.029 60.007 58.100 -0.204 0.000 1.136 615 Y CB -0.776 37.653 38.460 -0.053 0.000 0.975 615 Y HN 0.050 nan 8.280 nan 0.000 0.498 616 V N 0.748 120.144 119.914 -0.864 0.000 2.427 616 V HA -0.221 3.902 4.120 0.005 0.000 0.248 616 V C 2.687 178.233 176.094 -0.914 0.000 1.051 616 V CA 1.797 63.478 62.300 -1.030 0.000 1.048 616 V CB -1.619 29.767 31.823 -0.727 0.000 0.666 616 V HN 0.660 nan 8.190 nan 0.000 0.456 617 G N -0.070 108.230 108.800 -0.833 0.000 2.442 617 G HA2 -0.216 3.746 3.960 0.005 0.000 0.219 617 G HA3 -0.216 3.746 3.960 0.005 0.000 0.219 617 G C 1.577 176.172 174.900 -0.508 0.000 1.141 617 G CA 0.973 45.675 45.100 -0.663 0.000 0.763 617 G HN 0.477 nan 8.290 nan 0.000 0.554 618 L N 0.073 120.961 121.223 -0.557 0.000 2.027 618 L HA -0.063 4.280 4.340 0.005 0.000 0.206 618 L C 3.011 179.447 176.870 -0.724 0.000 1.074 618 L CA 0.460 54.934 54.840 -0.610 0.000 0.745 618 L CB -0.624 41.027 42.059 -0.681 0.000 0.898 618 L HN 0.072 nan 8.230 nan 0.000 0.433 619 V N 0.225 119.684 119.914 -0.759 0.000 2.282 619 V HA -0.332 3.791 4.120 0.005 0.000 0.249 619 V C 2.440 178.171 176.094 -0.604 0.000 1.057 619 V CA 2.093 63.986 62.300 -0.677 0.000 1.032 619 V CB -0.561 30.821 31.823 -0.736 0.000 0.645 619 V HN 0.368 nan 8.190 nan 0.000 0.447 620 L N -0.010 120.806 121.223 -0.678 0.000 1.994 620 L HA -0.227 4.116 4.340 0.005 0.000 0.208 620 L C 2.532 179.109 176.870 -0.490 0.000 1.071 620 L CA 2.472 57.025 54.840 -0.479 0.000 0.745 620 L CB -0.894 40.945 42.059 -0.367 0.000 0.892 620 L HN 0.412 nan 8.230 nan 0.000 0.431 621 Q N -0.728 118.838 119.800 -0.390 0.000 2.096 621 Q HA -0.178 4.165 4.340 0.005 0.000 0.204 621 Q C 2.024 177.742 176.000 -0.470 0.000 0.982 621 Q CA 1.842 57.455 55.803 -0.316 0.000 0.850 621 Q CB -0.503 28.147 28.738 -0.147 0.000 0.901 621 Q HN 0.679 nan 8.270 nan 0.000 0.422 622 G N 0.455 108.963 108.800 -0.487 0.000 2.433 622 G HA2 -0.268 3.695 3.960 0.005 0.000 0.216 622 G HA3 -0.268 3.695 3.960 0.005 0.000 0.216 622 G C 1.383 176.018 174.900 -0.443 0.000 1.186 622 G CA 0.613 45.432 45.100 -0.468 0.000 0.779 622 G HN 0.300 nan 8.290 nan 0.000 0.543 623 Q N 0.385 119.924 119.800 -0.436 0.000 2.079 623 Q HA -0.041 4.302 4.340 0.005 0.000 0.200 623 Q C 2.837 178.512 176.000 -0.543 0.000 0.974 623 Q CA 1.448 57.023 55.803 -0.380 0.000 0.840 623 Q CB -0.793 27.787 28.738 -0.263 0.000 0.898 623 Q HN 0.445 nan 8.270 nan 0.000 0.430 624 G N 0.658 108.864 108.800 -0.991 0.000 2.404 624 G HA2 -0.209 3.754 3.960 0.005 0.000 0.215 624 G HA3 -0.209 3.754 3.960 0.005 0.000 0.215 624 G C 1.473 175.828 174.900 -0.908 0.000 1.174 624 G CA 0.579 44.567 45.100 -1.854 0.000 0.780 624 G HN 0.148 nan 8.290 nan 0.000 0.537 625 M N 1.235 120.444 119.600 -0.653 0.000 2.117 625 M HA -0.047 4.436 4.480 0.005 0.000 0.262 625 M C 2.646 178.823 176.300 -0.205 0.000 1.065 625 M CA 1.606 56.733 55.300 -0.288 0.000 1.114 625 M CB -0.841 31.486 32.600 -0.454 0.000 1.361 625 M HN 0.408 nan 8.290 nan 0.000 0.408 626 R N -1.015 119.299 120.500 -0.309 0.000 2.152 626 R HA -0.165 4.178 4.340 0.005 0.000 0.232 626 R C 1.922 178.129 176.300 -0.155 0.000 1.117 626 R CA 1.865 57.813 56.100 -0.253 0.000 0.981 626 R CB -1.461 28.681 30.300 -0.264 0.000 0.870 626 R HN 0.363 nan 8.270 nan 0.000 0.451 627 H N 0.096 119.032 119.070 -0.223 0.000 2.387 627 H HA 0.040 4.600 4.556 0.005 0.000 0.299 627 H C 2.004 177.229 175.328 -0.171 0.000 1.099 627 H CA 2.149 58.100 56.048 -0.161 0.000 1.315 627 H CB -0.497 29.181 29.762 -0.140 0.000 1.380 627 H HN 0.405 nan 8.280 nan 0.000 0.513 628 G N 0.085 108.822 108.800 -0.105 0.000 2.404 628 G HA2 -0.179 3.784 3.960 0.005 0.000 0.215 628 G HA3 -0.179 3.784 3.960 0.005 0.000 0.215 628 G C 1.725 176.182 174.900 -0.738 0.000 1.174 628 G CA 0.764 45.630 45.100 -0.391 0.000 0.780 628 G HN 0.398 nan 8.290 nan 0.000 0.537 629 L N 0.194 121.279 121.223 -0.229 0.000 2.042 629 L HA -0.114 4.229 4.340 0.005 0.000 0.210 629 L C 2.878 179.659 176.870 -0.149 0.000 1.076 629 L CA 1.480 56.274 54.840 -0.076 0.000 0.749 629 L CB -0.485 41.524 42.059 -0.084 0.000 0.893 629 L HN 0.294 nan 8.230 nan 0.000 0.432 630 E N 0.149 120.210 120.200 -0.232 0.000 2.077 630 E HA -0.201 4.152 4.350 0.005 0.000 0.193 630 E C 2.340 178.766 176.600 -0.290 0.000 0.989 630 E CA 1.128 57.391 56.400 -0.227 0.000 0.800 630 E CB -0.201 29.362 29.700 -0.228 0.000 0.746 630 E HN 0.496 nan 8.360 nan 0.000 0.452 631 A N 0.917 123.491 122.820 -0.409 0.000 1.940 631 A HA -0.234 4.089 4.320 0.005 0.000 0.219 631 A C 1.686 179.182 177.584 -0.148 0.000 1.176 631 A CA 1.697 53.533 52.037 -0.335 0.000 0.631 631 A CB -0.869 17.916 19.000 -0.358 0.000 0.814 631 A HN 0.343 nan 8.150 nan 0.000 0.446 632 H N -1.082 117.928 119.070 -0.099 0.000 2.326 632 H HA -0.027 4.532 4.556 0.005 0.000 0.301 632 H C 2.475 177.832 175.328 0.048 0.000 1.081 632 H CA 1.125 57.196 56.048 0.039 0.000 1.334 632 H CB -0.042 29.779 29.762 0.099 0.000 1.385 632 H HN 0.372 nan 8.280 nan 0.000 0.504 633 R N 0.677 121.129 120.500 -0.081 0.000 2.081 633 R HA -0.113 4.230 4.340 0.005 0.000 0.235 633 R C 2.447 178.543 176.300 -0.340 0.000 1.131 633 R CA 1.038 56.785 56.100 -0.588 0.000 0.960 633 R CB -0.194 29.836 30.300 -0.449 0.000 0.856 633 R HN 0.275 nan 8.270 nan 0.000 0.436 634 R N 0.827 121.186 120.500 -0.236 0.000 2.120 634 R HA -0.054 4.289 4.340 0.005 0.000 0.234 634 R C 0.927 177.112 176.300 -0.193 0.000 1.123 634 R CA 1.210 57.144 56.100 -0.277 0.000 0.975 634 R CB 0.025 30.063 30.300 -0.437 0.000 0.866 634 R HN 0.203 nan 8.270 nan 0.000 0.446 635 N N 1.111 119.761 118.700 -0.082 0.000 2.322 635 N HA -0.048 4.695 4.740 0.005 0.000 0.216 635 N C -0.311 175.291 175.510 0.152 0.000 1.144 635 N CA -0.021 53.049 53.050 0.033 0.000 0.830 635 N CB 0.264 38.790 38.487 0.065 0.000 1.034 635 N HN 0.208 nan 8.380 nan 0.000 0.484 636 R N 2.338 122.903 120.500 0.108 0.000 2.543 636 R HA 0.093 4.436 4.340 0.005 0.000 0.277 636 R C -1.529 174.856 176.300 0.143 0.000 1.074 636 R CA -0.777 55.431 56.100 0.180 0.000 1.076 636 R CB 0.731 31.095 30.300 0.106 0.000 0.993 636 R HN -0.021 nan 8.270 nan 0.000 0.459 637 P HA -0.043 nan 4.420 nan 0.000 0.261 637 P C 0.596 178.003 177.300 0.177 0.000 1.268 637 P CA 0.291 63.476 63.100 0.142 0.000 0.833 637 P CB -0.045 31.688 31.700 0.056 0.000 1.231 638 Y N 1.055 121.423 120.300 0.112 0.000 2.081 638 Y HA -0.182 4.371 4.550 0.004 0.000 0.280 638 Y C 1.219 177.211 175.900 0.154 0.000 1.163 638 Y CA 1.325 59.500 58.100 0.125 0.000 1.135 638 Y CB -0.616 37.910 38.460 0.110 0.000 0.970 638 Y HN 0.026 nan 8.280 nan 0.000 0.498 639 C N 2.113 121.620 119.300 0.346 0.000 2.330 639 C HA 0.397 4.860 4.460 0.005 0.000 0.344 639 C C 0.601 175.773 174.990 0.303 0.000 1.273 639 C CA -0.777 58.398 59.018 0.262 0.000 1.879 639 C CB -0.057 27.861 27.740 0.296 0.000 2.376 639 C HN 0.605 nan 8.230 nan 0.000 0.534 640 M N 4.717 124.383 119.600 0.110 0.000 2.502 640 M HA 0.328 4.811 4.480 0.005 0.000 0.351 640 M C 0.453 176.274 176.300 -0.800 0.000 1.118 640 M CA 0.154 55.427 55.300 -0.045 0.000 0.952 640 M CB 0.006 32.749 32.600 0.239 0.000 1.424 640 M HN 1.000 nan 8.290 nan 0.000 0.529 641 G N -0.531 107.470 108.800 -1.333 0.000 2.387 641 G HA2 0.409 4.372 3.960 0.005 0.000 0.294 641 G HA3 0.409 4.372 3.960 0.005 0.000 0.294 641 G C -1.670 172.464 174.900 -1.277 0.000 1.509 641 G CA -0.362 43.622 45.100 -1.860 0.000 0.806 641 G HN -0.094 nan 8.290 nan 0.000 0.546 642 T N 0.239 114.351 114.554 -0.736 0.000 3.109 642 T HA 0.583 4.936 4.350 0.005 0.000 0.311 642 T C -1.253 173.446 174.700 -0.002 0.000 1.011 642 T CA -0.450 61.541 62.100 -0.183 0.000 1.026 642 T CB 0.633 69.718 68.868 0.362 0.000 1.047 642 T HN 0.557 nan 8.240 nan 0.000 0.448 643 L N 6.678 127.924 121.223 0.039 0.000 2.388 643 L HA 0.494 4.837 4.340 0.005 0.000 0.267 643 L C -0.287 176.618 176.870 0.058 0.000 0.995 643 L CA -1.281 53.556 54.840 -0.005 0.000 0.864 643 L CB 0.834 42.849 42.059 -0.074 0.000 1.216 643 L HN 0.733 nan 8.230 nan 0.000 0.430 644 Y N 0.408 120.728 120.300 0.034 0.000 2.357 644 Y HA 0.254 4.807 4.550 0.005 0.000 0.340 644 Y C -0.287 175.487 175.900 -0.210 0.000 1.260 644 Y CA -0.801 57.180 58.100 -0.199 0.000 1.425 644 Y CB 0.766 38.944 38.460 -0.471 0.000 1.326 644 Y HN 0.541 nan 8.280 nan 0.000 0.580 645 W N 6.479 127.674 121.300 -0.176 0.000 2.291 645 W HA 0.357 5.020 4.660 0.005 0.000 0.312 645 W C -1.443 175.066 176.519 -0.017 0.000 1.061 645 W CA -0.624 56.624 57.345 -0.162 0.000 1.296 645 W CB 1.241 30.673 29.460 -0.046 0.000 1.223 645 W HN 0.927 nan 8.180 nan 0.000 0.421 646 Q N 3.885 123.376 119.800 -0.516 0.000 2.553 646 Q HA 0.267 4.610 4.340 0.005 0.000 0.293 646 Q C -0.429 175.204 176.000 -0.611 0.000 1.038 646 Q CA -0.856 54.269 55.803 -1.131 0.000 0.777 646 Q CB 1.866 29.440 28.738 -1.939 0.000 1.487 646 Q HN 0.401 nan 8.270 nan 0.000 0.426 647 L N 1.066 121.871 121.223 -0.696 0.000 2.044 647 L HA 0.064 4.407 4.340 0.005 0.000 0.205 647 L C -0.004 176.626 176.870 -0.400 0.000 1.075 647 L CA 1.961 56.532 54.840 -0.448 0.000 0.747 647 L CB -0.245 41.568 42.059 -0.410 0.000 0.903 647 L HN 0.894 nan 8.230 nan 0.000 0.435 648 N N -2.341 116.036 118.700 -0.538 0.000 2.972 648 N HA 0.276 5.019 4.740 0.005 0.000 0.262 648 N C -1.668 173.530 175.510 -0.521 0.000 1.478 648 N CA -0.667 52.107 53.050 -0.461 0.000 0.841 648 N CB 1.164 39.396 38.487 -0.425 0.000 1.512 648 N HN -0.145 nan 8.380 nan 0.000 0.548 649 D N -0.911 119.272 120.400 -0.363 0.000 2.527 649 D HA 0.316 4.959 4.640 0.005 0.000 0.233 649 D C 0.343 176.573 176.300 -0.117 0.000 1.063 649 D CA -0.362 53.468 54.000 -0.284 0.000 0.880 649 D CB 2.230 42.926 40.800 -0.173 0.000 1.457 649 D HN 0.594 nan 8.370 nan 0.000 0.475 650 S N 0.120 115.804 115.700 -0.027 0.000 2.524 650 S HA 0.145 4.618 4.470 0.005 0.000 0.216 650 S C 0.423 175.005 174.600 -0.030 0.000 0.987 650 S CA -0.197 58.068 58.200 0.110 0.000 0.909 650 S CB 0.277 63.610 63.200 0.222 0.000 0.781 650 S HN 0.604 nan 8.310 nan 0.000 0.521 651 W N -0.645 120.242 121.300 -0.690 0.000 2.982 651 W HA 0.496 5.159 4.660 0.005 0.000 0.344 651 W C -3.872 172.115 176.519 -0.887 0.000 1.215 651 W CA -2.503 53.897 57.345 -1.576 0.000 1.182 651 W CB -0.284 28.090 29.460 -1.810 0.000 1.437 651 W HN -0.237 nan 8.180 nan 0.000 0.570 652 P HA 0.310 nan 4.420 nan 0.000 0.269 652 P C -0.442 176.151 177.300 -1.178 0.000 1.252 652 P CA 0.560 63.281 63.100 -0.631 0.000 0.780 652 P CB 1.091 32.777 31.700 -0.023 0.000 0.829 653 V N 4.364 123.767 119.914 -0.852 0.000 3.264 653 V HA 0.244 4.367 4.120 0.005 0.000 0.294 653 V C -1.064 174.732 176.094 -0.497 0.000 1.429 653 V CA -0.958 60.788 62.300 -0.923 0.000 1.053 653 V CB 2.589 33.739 31.823 -1.121 0.000 1.128 653 V HN 0.035 nan 8.190 nan 0.000 0.452 654 V N 4.645 124.261 119.914 -0.496 0.000 2.508 654 V HA 0.705 4.828 4.120 0.005 0.000 0.281 654 V C 0.451 176.284 176.094 -0.436 0.000 1.041 654 V CA 1.023 63.003 62.300 -0.532 0.000 1.016 654 V CB 0.551 31.900 31.823 -0.790 0.000 0.984 654 V HN 1.196 nan 8.190 nan 0.000 0.478 655 S N 3.884 119.316 115.700 -0.446 0.000 2.727 655 S HA 0.426 4.899 4.470 0.005 0.000 0.278 655 S C -0.226 174.057 174.600 -0.529 0.000 1.186 655 S CA -0.844 57.097 58.200 -0.431 0.000 0.836 655 S CB 1.120 64.284 63.200 -0.060 0.000 1.186 655 S HN 0.539 nan 8.310 nan 0.000 0.499 656 W N 2.541 123.696 121.300 -0.243 0.000 3.180 656 W HA 0.191 4.854 4.660 0.005 0.000 0.254 656 W C 1.144 177.477 176.519 -0.310 0.000 1.318 656 W CA 0.191 57.375 57.345 -0.268 0.000 1.608 656 W CB -0.574 28.862 29.460 -0.041 0.000 1.124 656 W HN 0.780 nan 8.180 nan 0.000 0.694 657 S N 0.540 116.139 115.700 -0.168 0.000 2.579 657 S HA 0.054 4.527 4.470 0.005 0.000 0.275 657 S C 1.237 175.720 174.600 -0.196 0.000 1.345 657 S CA 0.234 58.290 58.200 -0.240 0.000 1.031 657 S CB 1.653 64.680 63.200 -0.287 0.000 0.892 657 S HN 0.124 nan 8.310 nan 0.000 0.529 658 S N 1.170 116.780 115.700 -0.150 0.000 2.503 658 S HA 0.321 4.794 4.470 0.005 0.000 0.215 658 S C 0.255 174.731 174.600 -0.206 0.000 1.003 658 S CA -0.406 57.701 58.200 -0.154 0.000 0.910 658 S CB -0.599 62.587 63.200 -0.024 0.000 0.790 658 S HN 0.706 nan 8.310 nan 0.000 0.514 659 I N 3.270 123.689 120.570 -0.251 0.000 2.478 659 I HA 0.342 4.515 4.170 0.005 0.000 0.287 659 I C -0.890 175.125 176.117 -0.169 0.000 1.042 659 I CA -0.988 60.159 61.300 -0.256 0.000 1.067 659 I CB 1.940 39.695 38.000 -0.407 0.000 1.233 659 I HN 0.129 nan 8.210 nan 0.000 0.431 660 D N 4.511 124.868 120.400 -0.071 0.000 2.384 660 D HA -0.094 4.549 4.640 0.005 0.000 0.244 660 D C 1.022 177.299 176.300 -0.038 0.000 1.251 660 D CA -0.062 53.913 54.000 -0.040 0.000 0.961 660 D CB 0.538 41.366 40.800 0.047 0.000 1.116 660 D HN 0.534 nan 8.370 nan 0.000 0.484 661 Y N -0.137 120.037 120.300 -0.210 0.000 2.256 661 Y HA -0.222 4.331 4.550 0.005 0.000 0.288 661 Y C 1.121 176.838 175.900 -0.306 0.000 1.155 661 Y CA 1.474 59.377 58.100 -0.327 0.000 1.203 661 Y CB -0.381 37.772 38.460 -0.511 0.000 0.980 661 Y HN 0.420 nan 8.280 nan 0.000 0.530 662 Y N -0.154 120.112 120.300 -0.057 0.000 2.471 662 Y HA 0.273 4.826 4.550 0.005 0.000 0.286 662 Y C 1.943 177.805 175.900 -0.064 0.000 1.188 662 Y CA 0.329 58.367 58.100 -0.103 0.000 1.286 662 Y CB -0.114 38.374 38.460 0.046 0.000 1.072 662 Y HN 0.224 nan 8.280 nan 0.000 0.517 663 G N -0.123 108.696 108.800 0.032 0.000 2.157 663 G HA2 -0.280 3.682 3.960 0.005 0.000 0.248 663 G HA3 -0.280 3.682 3.960 0.005 0.000 0.248 663 G C -0.117 174.885 174.900 0.170 0.000 0.979 663 G CA -0.255 44.877 45.100 0.052 0.000 0.650 663 G HN 0.315 nan 8.290 nan 0.000 0.529 664 N N 0.513 119.331 118.700 0.198 0.000 2.475 664 N HA 0.216 4.959 4.740 0.005 0.000 0.267 664 N C 0.010 175.707 175.510 0.311 0.000 1.169 664 N CA 0.115 53.328 53.050 0.271 0.000 0.947 664 N CB 0.378 39.025 38.487 0.267 0.000 1.061 664 N HN 0.237 nan 8.380 nan 0.000 0.466 665 W N 2.657 123.975 121.300 0.030 0.000 2.381 665 W HA 0.141 4.803 4.660 0.005 0.000 0.321 665 W C 1.125 177.695 176.519 0.086 0.000 1.407 665 W CA -0.318 56.984 57.345 -0.072 0.000 1.274 665 W CB -0.092 29.169 29.460 -0.330 0.000 1.310 665 W HN 0.198 nan 8.180 nan 0.000 0.551 666 K N 2.177 122.649 120.400 0.119 0.000 2.132 666 K HA 0.348 4.670 4.320 0.005 0.000 0.240 666 K C 1.298 177.802 176.600 -0.161 0.000 1.036 666 K CA 0.005 56.239 56.287 -0.088 0.000 0.888 666 K CB 0.544 32.905 32.500 -0.232 0.000 1.071 666 K HN 0.456 nan 8.250 nan 0.000 0.502 667 A N 1.208 123.500 122.820 -0.881 0.000 1.948 667 A HA -0.198 4.125 4.320 0.005 0.000 0.220 667 A C 1.996 179.386 177.584 -0.323 0.000 1.177 667 A CA 1.640 53.133 52.037 -0.907 0.000 0.636 667 A CB -0.571 17.507 19.000 -1.536 0.000 0.815 667 A HN 0.648 nan 8.150 nan 0.000 0.449 668 L N -0.908 120.070 121.223 -0.410 0.000 2.081 668 L HA -0.212 4.131 4.340 0.005 0.000 0.212 668 L C 2.185 178.807 176.870 -0.413 0.000 1.080 668 L CA 2.793 57.376 54.840 -0.428 0.000 0.754 668 L CB -0.908 40.861 42.059 -0.485 0.000 0.893 668 L HN 0.596 nan 8.230 nan 0.000 0.433 669 H N -2.227 116.598 119.070 -0.410 0.000 2.395 669 H HA -0.124 4.435 4.556 0.005 0.000 0.299 669 H C 1.870 176.921 175.328 -0.461 0.000 1.070 669 H CA 2.152 57.839 56.048 -0.603 0.000 1.356 669 H CB -0.124 29.027 29.762 -1.018 0.000 1.401 669 H HN 0.453 nan 8.280 nan 0.000 0.524 670 Y N 0.131 120.479 120.300 0.081 0.000 2.181 670 Y HA -0.216 4.337 4.550 0.005 0.000 0.288 670 Y C 2.569 178.444 175.900 -0.041 0.000 1.146 670 Y CA 1.090 59.308 58.100 0.196 0.000 1.164 670 Y CB -0.150 38.488 38.460 0.296 0.000 0.982 670 Y HN 0.248 nan 8.280 nan 0.000 0.515 671 Q N -0.085 119.703 119.800 -0.020 0.000 2.119 671 Q HA -0.131 4.212 4.340 0.005 0.000 0.201 671 Q C 2.582 178.384 176.000 -0.330 0.000 0.972 671 Q CA 1.262 56.967 55.803 -0.163 0.000 0.847 671 Q CB -0.662 27.928 28.738 -0.246 0.000 0.903 671 Q HN 0.542 nan 8.270 nan 0.000 0.433 672 A N 1.708 124.221 122.820 -0.512 0.000 1.858 672 A HA -0.237 4.086 4.320 0.005 0.000 0.216 672 A C 2.161 179.390 177.584 -0.592 0.000 1.190 672 A CA 1.881 53.453 52.037 -0.776 0.000 0.617 672 A CB -0.567 17.939 19.000 -0.823 0.000 0.827 672 A HN 0.332 nan 8.150 nan 0.000 0.443 673 K N -0.349 119.834 120.400 -0.362 0.000 2.032 673 K HA -0.274 4.049 4.320 0.005 0.000 0.218 673 K C 2.267 178.855 176.600 -0.021 0.000 1.054 673 K CA 2.126 58.357 56.287 -0.094 0.000 0.941 673 K CB -0.249 32.287 32.500 0.061 0.000 0.720 673 K HN 0.470 nan 8.250 nan 0.000 0.449 674 R N -0.330 120.151 120.500 -0.032 0.000 2.073 674 R HA -0.097 4.245 4.340 0.005 0.000 0.234 674 R C 2.402 178.679 176.300 -0.038 0.000 1.134 674 R CA 1.382 57.479 56.100 -0.005 0.000 0.952 674 R CB -0.380 29.924 30.300 0.006 0.000 0.850 674 R HN 0.318 nan 8.270 nan 0.000 0.433 675 A N 0.124 122.854 122.820 -0.150 0.000 2.119 675 A HA -0.063 4.260 4.320 0.005 0.000 0.217 675 A C 1.174 178.778 177.584 0.033 0.000 1.153 675 A CA 0.907 52.856 52.037 -0.145 0.000 0.692 675 A CB -0.125 18.695 19.000 -0.300 0.000 0.799 675 A HN 0.187 nan 8.150 nan 0.000 0.458 676 F N -0.234 119.694 119.950 -0.036 0.000 2.695 676 F HA 0.456 4.986 4.527 0.005 0.000 0.303 676 F C 1.415 177.207 175.800 -0.013 0.000 1.091 676 F CA -0.980 57.007 58.000 -0.021 0.000 1.300 676 F CB -0.906 38.080 39.000 -0.023 0.000 1.071 676 F HN 0.166 nan 8.300 nan 0.000 0.578 677 A N 1.510 124.428 122.820 0.164 0.000 2.567 677 A HA 0.105 4.428 4.320 0.005 0.000 0.240 677 A C -1.171 176.466 177.584 0.088 0.000 1.053 677 A CA -0.704 51.397 52.037 0.107 0.000 0.755 677 A CB -0.237 18.808 19.000 0.075 0.000 0.978 677 A HN 0.102 nan 8.150 nan 0.000 0.507 678 P HA -0.115 nan 4.420 nan 0.000 0.216 678 P C 0.050 177.391 177.300 0.068 0.000 1.157 678 P CA 1.223 64.370 63.100 0.079 0.000 0.880 678 P CB -0.010 31.741 31.700 0.086 0.000 0.791 679 V N 0.187 120.136 119.914 0.058 0.000 2.417 679 V HA 0.413 4.536 4.120 0.005 0.000 0.291 679 V C -0.281 175.837 176.094 0.040 0.000 1.024 679 V CA -0.706 61.622 62.300 0.047 0.000 0.861 679 V CB 1.588 33.438 31.823 0.044 0.000 0.985 679 V HN -0.149 nan 8.190 nan 0.000 0.436 680 L N 6.388 127.631 121.223 0.033 0.000 2.410 680 L HA 0.679 5.022 4.340 0.005 0.000 0.270 680 L C -0.748 176.141 176.870 0.031 0.000 0.983 680 L CA -0.119 54.737 54.840 0.028 0.000 0.822 680 L CB 1.838 43.907 42.059 0.017 0.000 1.285 680 L HN 0.572 nan 8.230 nan 0.000 0.409 681 I N 4.552 125.141 120.570 0.031 0.000 2.312 681 I HA 0.301 4.474 4.170 0.005 0.000 0.291 681 I C 0.044 176.186 176.117 0.042 0.000 1.031 681 I CA 0.006 61.329 61.300 0.038 0.000 1.293 681 I CB 0.684 38.700 38.000 0.027 0.000 1.403 681 I HN 0.645 nan 8.210 nan 0.000 0.484 682 N N 8.919 127.657 118.700 0.064 0.000 2.626 682 N HA 0.345 5.088 4.740 0.005 0.000 0.242 682 N C -2.649 172.915 175.510 0.091 0.000 1.005 682 N CA -1.616 51.467 53.050 0.055 0.000 0.905 682 N CB 1.405 39.902 38.487 0.015 0.000 1.128 682 N HN 0.252 nan 8.380 nan 0.000 0.512 683 P HA 0.191 nan 4.420 nan 0.000 0.280 683 P C -0.885 176.421 177.300 0.010 0.000 1.244 683 P CA -0.372 62.719 63.100 -0.014 0.000 0.784 683 P CB 1.461 33.053 31.700 -0.179 0.000 0.913 684 I N 1.940 122.538 120.570 0.047 0.000 2.512 684 I HA 0.305 4.478 4.170 0.005 0.000 0.287 684 I C -0.978 175.221 176.117 0.137 0.000 1.069 684 I CA -0.775 60.592 61.300 0.113 0.000 1.056 684 I CB 1.972 40.012 38.000 0.066 0.000 1.229 684 I HN 0.273 nan 8.210 nan 0.000 0.429 685 Q N 6.888 126.818 119.800 0.216 0.000 2.333 685 Q HA 0.604 4.947 4.340 0.005 0.000 0.265 685 Q C -1.622 174.496 176.000 0.196 0.000 0.989 685 Q CA -0.526 55.415 55.803 0.229 0.000 0.842 685 Q CB 1.272 30.230 28.738 0.366 0.000 1.262 685 Q HN 0.746 nan 8.270 nan 0.000 0.451 686 Q N 2.500 122.395 119.800 0.157 0.000 2.379 686 Q HA 0.347 4.690 4.340 0.005 0.000 0.278 686 Q C -0.780 175.283 176.000 0.105 0.000 1.068 686 Q CA -0.953 54.925 55.803 0.124 0.000 0.816 686 Q CB 1.744 30.548 28.738 0.110 0.000 1.387 686 Q HN 0.784 nan 8.270 nan 0.000 0.413 687 N N 1.966 120.717 118.700 0.085 0.000 2.727 687 N HA -0.226 4.517 4.740 0.005 0.000 0.249 687 N C -0.737 174.817 175.510 0.073 0.000 1.048 687 N CA 1.646 54.737 53.050 0.069 0.000 0.714 687 N CB -0.823 37.700 38.487 0.060 0.000 0.959 687 N HN 0.982 nan 8.380 nan 0.000 0.544 688 D N -1.650 118.802 120.400 0.086 0.000 2.945 688 D HA -0.171 4.472 4.640 0.005 0.000 0.225 688 D C -0.730 175.637 176.300 0.111 0.000 1.158 688 D CA 1.644 55.697 54.000 0.088 0.000 0.805 688 D CB -0.847 39.988 40.800 0.057 0.000 1.098 688 D HN 0.568 nan 8.370 nan 0.000 0.426 689 S N -0.973 114.807 115.700 0.133 0.000 2.549 689 S HA 0.706 5.179 4.470 0.005 0.000 0.280 689 S C -1.557 173.153 174.600 0.183 0.000 1.109 689 S CA -0.952 57.337 58.200 0.148 0.000 0.905 689 S CB 1.424 64.681 63.200 0.096 0.000 1.081 689 S HN 0.279 nan 8.310 nan 0.000 0.477 690 L N 3.390 124.747 121.223 0.222 0.000 2.296 690 L HA 0.756 5.099 4.340 0.005 0.000 0.286 690 L C -0.502 176.461 176.870 0.155 0.000 1.023 690 L CA 0.290 55.262 54.840 0.219 0.000 0.812 690 L CB 1.657 43.934 42.059 0.364 0.000 1.223 690 L HN 0.651 nan 8.230 nan 0.000 0.421 691 S N 3.082 118.867 115.700 0.142 0.000 2.578 691 S HA 0.814 5.287 4.470 0.005 0.000 0.301 691 S C -1.011 173.688 174.600 0.165 0.000 1.091 691 S CA -0.618 57.656 58.200 0.124 0.000 1.032 691 S CB 2.036 65.332 63.200 0.161 0.000 1.064 691 S HN 0.416 nan 8.310 nan 0.000 0.508 692 V N 2.671 122.658 119.914 0.122 0.000 2.487 692 V HA 0.440 4.563 4.120 0.005 0.000 0.298 692 V C -1.441 174.675 176.094 0.036 0.000 1.028 692 V CA -0.638 61.739 62.300 0.128 0.000 0.860 692 V CB 0.841 32.728 31.823 0.106 0.000 0.991 692 V HN 0.848 nan 8.190 nan 0.000 0.427 693 Y N 4.150 124.460 120.300 0.016 0.000 2.420 693 Y HA 0.651 5.203 4.550 0.005 0.000 0.334 693 Y C 0.097 175.996 175.900 -0.001 0.000 1.094 693 Y CA -0.839 57.265 58.100 0.006 0.000 1.126 693 Y CB 1.831 40.284 38.460 -0.011 0.000 1.217 693 Y HN 0.410 nan 8.280 nan 0.000 0.462 694 L N 5.061 126.361 121.223 0.127 0.000 2.296 694 L HA 0.546 4.889 4.340 0.005 0.000 0.286 694 L C -0.869 176.051 176.870 0.083 0.000 1.023 694 L CA -0.474 54.413 54.840 0.079 0.000 0.812 694 L CB 1.121 43.203 42.059 0.038 0.000 1.223 694 L HN 0.512 nan 8.230 nan 0.000 0.421 695 I N 2.360 122.962 120.570 0.054 0.000 2.436 695 I HA 0.353 4.525 4.170 0.005 0.000 0.289 695 I C -0.266 175.860 176.117 0.016 0.000 1.010 695 I CA -0.229 61.083 61.300 0.020 0.000 1.098 695 I CB 2.120 40.103 38.000 -0.028 0.000 1.266 695 I HN 0.493 nan 8.210 nan 0.000 0.434 696 S N 3.880 119.593 115.700 0.022 0.000 2.594 696 S HA 0.372 4.845 4.470 0.005 0.000 0.296 696 S C -0.374 174.271 174.600 0.075 0.000 1.124 696 S CA -0.637 57.591 58.200 0.047 0.000 1.011 696 S CB 1.268 64.498 63.200 0.051 0.000 1.016 696 S HN 0.571 nan 8.310 nan 0.000 0.485 697 D N 3.075 123.542 120.400 0.112 0.000 2.388 697 D HA 0.181 4.824 4.640 0.005 0.000 0.221 697 D C 0.337 176.840 176.300 0.340 0.000 1.133 697 D CA 0.006 54.143 54.000 0.228 0.000 0.831 697 D CB 0.347 41.251 40.800 0.175 0.000 0.962 697 D HN 0.450 nan 8.370 nan 0.000 0.502 698 R N 0.282 120.896 120.500 0.189 0.000 2.641 698 R HA 0.262 4.605 4.340 0.005 0.000 0.269 698 R C 1.475 177.791 176.300 0.025 0.000 1.074 698 R CA -0.238 55.941 56.100 0.131 0.000 1.133 698 R CB 1.258 31.598 30.300 0.067 0.000 1.029 698 R HN 0.006 nan 8.270 nan 0.000 0.488 699 L N 1.179 122.329 121.223 -0.121 0.000 2.492 699 L HA -0.011 4.332 4.340 0.005 0.000 0.223 699 L C 0.381 177.161 176.870 -0.150 0.000 1.132 699 L CA 0.426 55.096 54.840 -0.283 0.000 0.850 699 L CB -0.332 41.448 42.059 -0.466 0.000 0.966 699 L HN 0.694 nan 8.230 nan 0.000 0.454 700 D N -1.470 118.884 120.400 -0.076 0.000 2.269 700 D HA 0.172 4.815 4.640 0.005 0.000 0.244 700 D C -0.308 175.979 176.300 -0.022 0.000 0.992 700 D CA -0.445 53.526 54.000 -0.048 0.000 0.894 700 D CB 1.353 42.132 40.800 -0.035 0.000 1.248 700 D HN -0.299 nan 8.370 nan 0.000 0.468 701 T N 1.499 116.043 114.554 -0.017 0.000 2.869 701 T HA 0.303 4.656 4.350 0.005 0.000 0.295 701 T C 0.454 175.155 174.700 0.002 0.000 0.987 701 T CA -0.390 61.708 62.100 -0.004 0.000 1.109 701 T CB 0.490 69.356 68.868 -0.004 0.000 0.932 701 T HN 0.234 nan 8.240 nan 0.000 0.518 702 M N 3.249 122.854 119.600 0.009 0.000 2.264 702 M HA 0.388 4.871 4.480 0.005 0.000 0.352 702 M C 0.245 176.553 176.300 0.013 0.000 1.173 702 M CA -0.392 54.915 55.300 0.012 0.000 1.075 702 M CB 1.230 33.841 32.600 0.017 0.000 1.621 702 M HN 0.554 nan 8.290 nan 0.000 0.457 703 E N 1.290 121.497 120.200 0.013 0.000 2.299 703 E HA 0.318 4.671 4.350 0.005 0.000 0.265 703 E C -0.824 175.789 176.600 0.022 0.000 0.911 703 E CA -0.828 55.581 56.400 0.015 0.000 0.789 703 E CB 1.553 31.259 29.700 0.010 0.000 1.246 703 E HN 0.566 nan 8.360 nan 0.000 0.427 704 Q N 0.646 120.461 119.800 0.025 0.000 2.453 704 Q HA -0.197 4.146 4.340 0.005 0.000 0.294 704 Q C -0.490 175.539 176.000 0.047 0.000 1.295 704 Q CA 0.452 56.276 55.803 0.035 0.000 0.853 704 Q CB -1.044 27.712 28.738 0.029 0.000 1.193 704 Q HN 0.406 nan 8.270 nan 0.000 0.461 705 M N 0.086 119.711 119.600 0.041 0.000 2.342 705 M HA 0.347 4.830 4.480 0.005 0.000 0.332 705 M C 0.562 176.886 176.300 0.040 0.000 1.166 705 M CA 0.180 55.503 55.300 0.039 0.000 1.086 705 M CB 1.171 33.786 32.600 0.024 0.000 1.541 705 M HN -0.067 nan 8.290 nan 0.000 0.462 706 T N 2.971 117.541 114.554 0.027 0.000 2.792 706 T HA 0.540 4.893 4.350 0.005 0.000 0.280 706 T C -0.775 173.881 174.700 -0.073 0.000 0.990 706 T CA -0.562 61.519 62.100 -0.032 0.000 0.960 706 T CB 1.367 70.237 68.868 0.003 0.000 0.939 706 T HN 0.489 nan 8.240 nan 0.000 0.439 707 L N 3.703 124.852 121.223 -0.123 0.000 2.264 707 L HA 0.539 4.882 4.340 0.005 0.000 0.289 707 L C 0.033 176.791 176.870 -0.187 0.000 1.044 707 L CA -0.113 54.650 54.840 -0.128 0.000 0.807 707 L CB 0.650 42.633 42.059 -0.126 0.000 1.192 707 L HN 0.649 nan 8.230 nan 0.000 0.425 708 E N 5.708 125.824 120.200 -0.139 0.000 2.187 708 E HA 0.582 4.935 4.350 0.005 0.000 0.268 708 E C -1.460 175.074 176.600 -0.110 0.000 0.896 708 E CA -0.639 55.678 56.400 -0.138 0.000 0.766 708 E CB 1.227 30.873 29.700 -0.090 0.000 1.142 708 E HN 0.727 nan 8.360 nan 0.000 0.408 709 M N 3.672 123.197 119.600 -0.125 0.000 2.518 709 M HA 0.453 4.936 4.480 0.005 0.000 0.300 709 M C -1.125 175.168 176.300 -0.013 0.000 1.175 709 M CA -0.798 54.462 55.300 -0.066 0.000 0.890 709 M CB 2.478 35.013 32.600 -0.109 0.000 1.710 709 M HN 0.402 nan 8.290 nan 0.000 0.453 710 K N 0.328 120.749 120.400 0.035 0.000 2.546 710 K HA 0.678 5.001 4.320 0.005 0.000 0.264 710 K C -1.793 174.828 176.600 0.036 0.000 0.937 710 K CA -0.989 55.328 56.287 0.050 0.000 0.833 710 K CB 1.765 34.271 32.500 0.011 0.000 1.378 710 K HN 0.431 nan 8.250 nan 0.000 0.432 711 V N 2.384 122.328 119.914 0.050 0.000 2.461 711 V HA 0.301 4.424 4.120 0.005 0.000 0.275 711 V C -0.451 175.518 176.094 -0.209 0.000 1.047 711 V CA -0.507 61.766 62.300 -0.046 0.000 0.955 711 V CB 1.117 32.944 31.823 0.006 0.000 0.988 711 V HN 0.548 nan 8.190 nan 0.000 0.471 712 V N 4.557 124.173 119.914 -0.496 0.000 2.588 712 V HA 0.397 4.519 4.120 0.005 0.000 0.304 712 V C -0.289 175.440 176.094 -0.607 0.000 1.042 712 V CA -0.962 61.001 62.300 -0.562 0.000 0.877 712 V CB 2.091 33.503 31.823 -0.686 0.000 0.996 712 V HN 1.022 nan 8.190 nan 0.000 0.425 713 D N 2.822 123.050 120.400 -0.287 0.000 2.398 713 D HA 0.137 4.779 4.640 0.005 0.000 0.247 713 D C 0.688 177.067 176.300 0.130 0.000 1.227 713 D CA -0.413 53.472 54.000 -0.192 0.000 0.980 713 D CB 0.479 41.175 40.800 -0.174 0.000 1.106 713 D HN 0.233 nan 8.370 nan 0.000 0.493 714 F N -0.668 119.346 119.950 0.106 0.000 2.604 714 F HA 0.025 4.555 4.527 0.005 0.000 0.298 714 F C 1.525 177.394 175.800 0.114 0.000 1.131 714 F CA 0.223 58.338 58.000 0.192 0.000 1.457 714 F CB -0.629 38.476 39.000 0.175 0.000 1.095 714 F HN 0.294 nan 8.300 nan 0.000 0.574 715 D N -0.848 119.684 120.400 0.220 0.000 2.350 715 D HA 0.172 4.815 4.640 0.005 0.000 0.213 715 D C 2.168 178.529 176.300 0.101 0.000 1.031 715 D CA 1.033 55.109 54.000 0.126 0.000 0.861 715 D CB 0.407 41.253 40.800 0.076 0.000 0.926 715 D HN 0.353 nan 8.370 nan 0.000 0.520 716 G N 1.516 110.385 108.800 0.115 0.000 2.179 716 G HA2 -0.248 3.715 3.960 0.005 0.000 0.220 716 G HA3 -0.248 3.715 3.960 0.005 0.000 0.220 716 G C 0.407 175.325 174.900 0.031 0.000 0.990 716 G CA -0.181 44.973 45.100 0.089 0.000 0.646 716 G HN 0.297 nan 8.290 nan 0.000 0.517 717 K N 1.671 122.074 120.400 0.004 0.000 2.258 717 K HA 0.464 4.787 4.320 0.005 0.000 0.284 717 K C 0.136 176.702 176.600 -0.057 0.000 1.051 717 K CA -0.156 56.120 56.287 -0.018 0.000 0.923 717 K CB 0.297 32.787 32.500 -0.016 0.000 1.046 717 K HN 0.059 nan 8.250 nan 0.000 0.474 718 T N 5.070 119.597 114.554 -0.046 0.000 2.888 718 T HA 0.126 4.479 4.350 0.005 0.000 0.301 718 T C 0.120 174.789 174.700 -0.053 0.000 1.001 718 T CA -0.056 62.009 62.100 -0.058 0.000 1.147 718 T CB 0.163 69.013 68.868 -0.029 0.000 0.931 718 T HN 0.404 nan 8.240 nan 0.000 0.541 719 L N 3.546 124.731 121.223 -0.064 0.000 2.282 719 L HA 0.572 4.915 4.340 0.005 0.000 0.288 719 L C 1.313 178.187 176.870 0.007 0.000 1.033 719 L CA -0.657 54.156 54.840 -0.045 0.000 0.807 719 L CB 0.742 42.749 42.059 -0.088 0.000 1.209 719 L HN 0.957 nan 8.230 nan 0.000 0.423 720 G N 2.159 110.969 108.800 0.017 0.000 2.566 720 G HA2 -0.209 3.754 3.960 0.005 0.000 0.280 720 G HA3 -0.209 3.754 3.960 0.005 0.000 0.280 720 G C -0.244 174.675 174.900 0.032 0.000 1.225 720 G CA 0.288 45.413 45.100 0.043 0.000 0.966 720 G HN 0.894 nan 8.290 nan 0.000 0.560 721 K N -0.149 120.275 120.400 0.039 0.000 2.352 721 K HA 0.816 5.139 4.320 0.005 0.000 0.240 721 K C 0.292 176.903 176.600 0.017 0.000 1.017 721 K CA 0.083 56.381 56.287 0.019 0.000 0.851 721 K CB 0.822 nan 32.500 nan 0.000 1.261 721 K HN 0.881 nan 8.250 nan 0.000 0.451 722 K N 0.824 121.225 120.400 0.000 0.000 2.451 722 K HA 0.218 4.541 4.320 0.005 0.000 0.280 722 K C -0.359 176.214 176.600 -0.045 0.000 1.020 722 K CA 0.223 56.500 56.287 -0.016 0.000 1.008 722 K CB 0.006 32.495 32.500 -0.019 0.000 0.917 722 K HN 0.499 nan 8.250 nan 0.000 0.478 723 I N 3.178 123.698 120.570 -0.084 0.000 2.336 723 I HA 0.123 4.296 4.170 0.005 0.000 0.292 723 I C 0.045 176.042 176.117 -0.199 0.000 0.991 723 I CA -0.337 60.871 61.300 -0.154 0.000 1.227 723 I CB 1.316 39.165 38.000 -0.250 0.000 1.366 723 I HN 0.396 nan 8.210 nan 0.000 0.466 724 Q N 5.203 124.881 119.800 -0.202 0.000 2.337 724 Q HA 0.568 4.911 4.340 0.005 0.000 0.270 724 Q C -1.408 174.366 176.000 -0.377 0.000 1.043 724 Q CA -0.766 54.844 55.803 -0.322 0.000 0.794 724 Q CB 3.264 31.800 28.738 -0.337 0.000 1.281 724 Q HN 0.422 nan 8.270 nan 0.000 0.446 725 V N 3.101 122.772 119.914 -0.405 0.000 2.326 725 V HA 0.312 4.435 4.120 0.005 0.000 0.281 725 V C -0.667 175.264 176.094 -0.273 0.000 1.015 725 V CA -0.716 61.431 62.300 -0.256 0.000 0.823 725 V CB 0.688 32.435 31.823 -0.127 0.000 1.009 725 V HN 0.755 nan 8.190 nan 0.000 0.436 726 H N 1.637 120.697 119.070 -0.016 0.000 2.523 726 H HA 0.501 5.060 4.556 0.004 0.000 0.345 726 H C 0.987 176.312 175.328 -0.006 0.000 1.261 726 H CA 0.207 56.248 56.048 -0.012 0.000 1.343 726 H CB 1.073 30.828 29.762 -0.011 0.000 1.650 726 H HN 0.721 nan 8.280 nan 0.000 0.591 727 S N -0.241 115.549 115.700 0.150 0.000 3.641 727 S HA -0.174 4.299 4.470 0.005 0.000 0.346 727 S C -0.240 174.386 174.600 0.044 0.000 1.074 727 S CA 0.078 58.322 58.200 0.075 0.000 1.026 727 S CB -1.860 61.376 63.200 0.060 0.000 0.908 727 S HN 0.354 nan 8.310 nan 0.000 0.479 728 L N 1.410 122.655 121.223 0.036 0.000 2.350 728 L HA 0.492 4.835 4.340 0.005 0.000 0.275 728 L C 0.676 177.557 176.870 0.018 0.000 1.099 728 L CA -0.237 54.614 54.840 0.018 0.000 0.808 728 L CB 0.777 42.840 42.059 0.005 0.000 1.149 728 L HN 0.461 nan 8.230 nan 0.000 0.442 729 E N 2.210 122.418 120.200 0.013 0.000 2.195 729 E HA 0.539 4.892 4.350 0.005 0.000 0.271 729 E C -1.534 175.074 176.600 0.013 0.000 0.923 729 E CA -0.843 55.565 56.400 0.013 0.000 0.790 729 E CB 2.245 31.952 29.700 0.012 0.000 1.155 729 E HN 0.255 nan 8.360 nan 0.000 0.402 730 V N 4.417 124.340 119.914 0.016 0.000 2.289 730 V HA 0.322 4.445 4.120 0.005 0.000 0.272 730 V C -2.307 173.799 176.094 0.020 0.000 1.026 730 V CA -1.801 60.511 62.300 0.020 0.000 0.807 730 V CB 0.683 32.520 31.823 0.023 0.000 1.044 730 V HN 0.729 nan 8.190 nan 0.000 0.443 731 P HA 0.208 nan 4.420 nan 0.000 0.272 731 P C 0.103 177.416 177.300 0.022 0.000 1.223 731 P CA 0.035 63.146 63.100 0.017 0.000 0.784 731 P CB 0.658 32.369 31.700 0.019 0.000 0.923 732 A N 2.986 125.812 122.820 0.011 0.000 2.565 732 A HA -0.004 4.319 4.320 0.005 0.000 0.237 732 A C 0.760 178.369 177.584 0.041 0.000 1.053 732 A CA 0.276 52.320 52.037 0.011 0.000 0.755 732 A CB -1.066 17.913 19.000 -0.035 0.000 0.980 732 A HN 0.732 nan 8.150 nan 0.000 0.506 733 N N -0.324 118.427 118.700 0.085 0.000 2.740 733 N HA -0.151 4.592 4.740 0.005 0.000 0.248 733 N C 0.018 175.582 175.510 0.089 0.000 1.062 733 N CA 1.674 54.802 53.050 0.130 0.000 0.704 733 N CB -1.542 37.044 38.487 0.165 0.000 0.968 733 N HN 1.325 nan 8.380 nan 0.000 0.547 734 T N -4.195 110.397 114.554 0.062 0.000 2.883 734 T HA 0.646 4.999 4.350 0.005 0.000 0.301 734 T C -0.416 174.309 174.700 0.042 0.000 1.158 734 T CA -0.672 61.460 62.100 0.052 0.000 1.007 734 T CB 2.679 71.578 68.868 0.051 0.000 1.186 734 T HN 0.050 nan 8.240 nan 0.000 0.499 735 S N 0.798 116.531 115.700 0.056 0.000 2.478 735 S HA 0.667 5.140 4.470 0.005 0.000 0.312 735 S C -1.177 173.527 174.600 0.173 0.000 1.094 735 S CA -0.748 57.510 58.200 0.096 0.000 1.081 735 S CB 0.184 63.412 63.200 0.046 0.000 1.007 735 S HN 0.745 nan 8.310 nan 0.000 0.475 736 K N 2.644 123.156 120.400 0.185 0.000 2.498 736 K HA 0.386 4.709 4.320 0.005 0.000 0.254 736 K C -1.287 175.244 176.600 -0.115 0.000 0.933 736 K CA -0.740 55.599 56.287 0.087 0.000 0.806 736 K CB 1.775 34.291 32.500 0.028 0.000 1.301 736 K HN 0.630 nan 8.250 nan 0.000 0.432 737 C N 3.040 122.080 119.300 -0.434 0.000 2.499 737 C HA 0.271 4.734 4.460 0.005 0.000 0.386 737 C C 1.509 176.303 174.990 -0.327 0.000 1.293 737 C CA -0.269 58.263 59.018 -0.811 0.000 1.884 737 C CB -0.861 26.328 27.740 -0.918 0.000 2.509 737 C HN 0.713 nan 8.230 nan 0.000 0.566 738 V N 3.471 123.253 119.914 -0.220 0.000 3.477 738 V HA 0.398 4.521 4.120 0.005 0.000 0.297 738 V C -0.253 175.858 176.094 0.027 0.000 1.433 738 V CA -0.011 62.245 62.300 -0.074 0.000 1.052 738 V CB -0.845 30.959 31.823 -0.032 0.000 0.895 738 V HN 0.823 nan 8.190 nan 0.000 0.438 739 Y N 0.671 120.872 120.300 -0.166 0.000 2.424 739 Y HA 0.700 5.253 4.550 0.004 0.000 0.323 739 Y C -0.830 175.004 175.900 -0.110 0.000 1.174 739 Y CA -1.123 56.902 58.100 -0.125 0.000 1.060 739 Y CB 1.517 39.914 38.460 -0.105 0.000 1.314 739 Y HN 0.244 nan 8.280 nan 0.000 0.439 740 R N 4.265 124.357 120.500 -0.681 0.000 2.604 740 R HA 0.946 5.289 4.340 0.005 0.000 0.281 740 R C -2.064 173.825 176.300 -0.684 0.000 1.020 740 R CA -0.695 55.120 56.100 -0.476 0.000 0.899 740 R CB 1.780 31.936 30.300 -0.241 0.000 1.205 740 R HN 0.850 nan 8.270 nan 0.000 0.450 741 A N 2.166 124.768 122.820 -0.364 0.000 2.488 741 A HA 0.391 4.714 4.320 0.005 0.000 0.295 741 A C -1.168 176.447 177.584 0.052 0.000 1.045 741 A CA -0.824 51.068 52.037 -0.242 0.000 0.703 741 A CB 1.626 20.407 19.000 -0.365 0.000 1.271 741 A HN 0.489 nan 8.150 nan 0.000 0.400 742 K N 1.534 121.965 120.400 0.052 0.000 2.414 742 K HA 0.249 4.572 4.320 0.005 0.000 0.272 742 K C 1.293 178.056 176.600 0.271 0.000 0.993 742 K CA -0.095 56.268 56.287 0.126 0.000 0.964 742 K CB 0.744 33.284 32.500 0.066 0.000 0.925 742 K HN 0.606 nan 8.250 nan 0.000 0.487 743 L N 0.251 121.607 121.223 0.221 0.000 2.131 743 L HA 0.006 4.349 4.340 0.005 0.000 0.206 743 L C 1.060 177.989 176.870 0.098 0.000 1.087 743 L CA 0.629 55.564 54.840 0.158 0.000 0.767 743 L CB -0.221 41.839 42.059 0.001 0.000 0.917 743 L HN 0.723 nan 8.230 nan 0.000 0.441 744 D N 0.147 120.591 120.400 0.072 0.000 2.434 744 D HA 0.251 4.894 4.640 0.005 0.000 0.252 744 D C 1.055 177.400 176.300 0.074 0.000 1.185 744 D CA 1.303 55.330 54.000 0.045 0.000 0.886 744 D CB 0.760 41.578 40.800 0.031 0.000 1.148 744 D HN 0.353 nan 8.370 nan 0.000 0.483 745 G N 3.187 112.025 108.800 0.063 0.000 2.195 745 G HA2 -0.314 3.648 3.960 0.005 0.000 0.246 745 G HA3 -0.314 3.648 3.960 0.005 0.000 0.246 745 G C 0.617 175.610 174.900 0.156 0.000 0.984 745 G CA 0.458 45.605 45.100 0.078 0.000 0.633 745 G HN 0.557 nan 8.290 nan 0.000 0.525 746 W N 0.097 121.362 121.300 -0.059 0.000 3.127 746 W HA 0.698 5.361 4.660 0.005 0.000 0.248 746 W C -0.219 176.236 176.519 -0.108 0.000 1.058 746 W CA 0.320 57.625 57.345 -0.067 0.000 1.783 746 W CB 0.094 29.522 29.460 -0.052 0.000 1.030 746 W HN 0.115 nan 8.180 nan 0.000 0.653 747 L N 1.863 122.953 121.223 -0.221 0.000 2.386 747 L HA 0.367 4.710 4.340 0.005 0.000 0.271 747 L C 0.537 177.251 176.870 -0.261 0.000 0.993 747 L CA -0.818 53.764 54.840 -0.431 0.000 0.819 747 L CB 1.317 42.847 42.059 -0.881 0.000 1.294 747 L HN 0.011 nan 8.230 nan 0.000 0.414 748 T N -0.130 114.297 114.554 -0.211 0.000 2.882 748 T HA 0.354 4.707 4.350 0.005 0.000 0.287 748 T C -1.978 172.626 174.700 -0.159 0.000 1.014 748 T CA -1.484 60.530 62.100 -0.143 0.000 1.049 748 T CB 0.927 69.731 68.868 -0.107 0.000 1.001 748 T HN 0.416 nan 8.240 nan 0.000 0.525 749 P HA -0.048 nan 4.420 nan 0.000 0.218 749 P C 1.701 178.948 177.300 -0.089 0.000 1.148 749 P CA 0.620 63.666 63.100 -0.090 0.000 0.822 749 P CB 0.020 31.687 31.700 -0.055 0.000 0.784 750 E N -0.674 119.472 120.200 -0.090 0.000 2.072 750 E HA -0.178 4.175 4.350 0.005 0.000 0.191 750 E C 1.745 178.265 176.600 -0.133 0.000 0.985 750 E CA 1.350 57.697 56.400 -0.090 0.000 0.801 750 E CB -1.363 28.291 29.700 -0.077 0.000 0.750 750 E HN 0.406 nan 8.360 nan 0.000 0.452 751 D N -0.251 120.044 120.400 -0.175 0.000 2.158 751 D HA -0.124 4.519 4.640 0.005 0.000 0.197 751 D C 2.036 178.188 176.300 -0.246 0.000 0.995 751 D CA 1.273 55.129 54.000 -0.240 0.000 0.846 751 D CB -0.568 40.047 40.800 -0.308 0.000 0.941 751 D HN 0.358 nan 8.370 nan 0.000 0.456 752 C N 0.260 119.426 119.300 -0.224 0.000 2.432 752 C HA -0.003 4.459 4.460 0.005 0.000 0.280 752 C C 2.346 177.376 174.990 0.067 0.000 1.353 752 C CA 0.245 59.190 59.018 -0.122 0.000 1.766 752 C CB -0.748 26.918 27.740 -0.124 0.000 1.924 752 C HN 0.311 nan 8.230 nan 0.000 0.509 753 R N -0.049 120.451 120.500 -0.000 0.000 2.300 753 R HA 0.112 4.455 4.340 0.005 0.000 0.199 753 R C 1.558 177.841 176.300 -0.029 0.000 0.920 753 R CA 0.385 56.523 56.100 0.063 0.000 1.046 753 R CB 0.065 30.387 30.300 0.037 0.000 0.984 753 R HN 0.547 nan 8.270 nan 0.000 0.493 754 R N -0.397 119.909 120.500 -0.322 0.000 2.531 754 R HA 0.151 4.494 4.340 0.005 0.000 0.316 754 R C -0.149 175.331 176.300 -1.367 0.000 0.955 754 R CA 0.025 55.590 56.100 -0.892 0.000 1.120 754 R CB 1.300 31.331 30.300 -0.448 0.000 1.361 754 R HN 0.029 nan 8.270 nan 0.000 0.534 755 S N -0.084 115.212 115.700 -0.672 0.000 2.685 755 S HA 0.738 5.211 4.470 0.005 0.000 0.282 755 S C -0.753 173.999 174.600 0.254 0.000 1.159 755 S CA -0.973 57.064 58.200 -0.272 0.000 0.833 755 S CB 1.549 64.606 63.200 -0.238 0.000 1.151 755 S HN 0.165 nan 8.310 nan 0.000 0.485 756 F N -0.880 119.120 119.950 0.083 0.000 2.629 756 F HA 0.860 5.390 4.527 0.005 0.000 0.316 756 F C -1.337 174.379 175.800 -0.139 0.000 1.081 756 F CA -1.480 56.351 58.000 -0.282 0.000 0.954 756 F CB 0.964 39.493 39.000 -0.785 0.000 1.337 756 F HN 0.611 nan 8.300 nan 0.000 0.474 757 L N 2.859 124.021 121.223 -0.101 0.000 2.282 757 L HA 0.581 4.924 4.340 0.005 0.000 0.288 757 L C -0.609 176.338 176.870 0.129 0.000 1.033 757 L CA -0.433 54.434 54.840 0.044 0.000 0.807 757 L CB 0.862 42.969 42.059 0.080 0.000 1.209 757 L HN 0.697 nan 8.230 nan 0.000 0.423 758 K N 4.375 124.860 120.400 0.142 0.000 2.156 758 K HA 0.718 5.041 4.320 0.005 0.000 0.271 758 K C -1.639 175.003 176.600 0.071 0.000 0.995 758 K CA -0.190 56.185 56.287 0.147 0.000 0.890 758 K CB 0.877 33.490 32.500 0.187 0.000 1.073 758 K HN 0.531 nan 8.250 nan 0.000 0.454 759 L N 5.288 126.540 121.223 0.049 0.000 2.385 759 L HA 0.605 4.948 4.340 0.005 0.000 0.273 759 L C -0.742 176.133 176.870 0.010 0.000 0.990 759 L CA -0.414 54.434 54.840 0.013 0.000 0.821 759 L CB 1.693 43.757 42.059 0.007 0.000 1.279 759 L HN 0.537 nan 8.230 nan 0.000 0.412 760 I N 3.143 123.708 120.570 -0.009 0.000 2.647 760 I HA 0.490 4.663 4.170 0.005 0.000 0.295 760 I C -1.251 174.857 176.117 -0.016 0.000 1.078 760 I CA -0.713 60.585 61.300 -0.004 0.000 1.048 760 I CB 2.494 40.494 38.000 0.000 0.000 1.239 760 I HN 0.351 nan 8.210 nan 0.000 0.421 761 L N 7.188 128.410 121.223 -0.002 0.000 2.322 761 L HA 0.600 4.943 4.340 0.005 0.000 0.281 761 L C -0.779 176.101 176.870 0.016 0.000 1.014 761 L CA -0.027 54.812 54.840 -0.001 0.000 0.815 761 L CB 0.885 42.948 42.059 0.007 0.000 1.247 761 L HN 0.611 nan 8.230 nan 0.000 0.421 762 K N 1.916 122.327 120.400 0.018 0.000 2.435 762 K HA 0.604 4.926 4.320 0.005 0.000 0.251 762 K C -1.230 175.403 176.600 0.056 0.000 0.954 762 K CA -0.878 55.434 56.287 0.042 0.000 0.820 762 K CB 1.891 34.411 32.500 0.034 0.000 1.292 762 K HN 0.551 nan 8.250 nan 0.000 0.436 763 D N 1.034 121.483 120.400 0.083 0.000 2.393 763 D HA -0.029 4.614 4.640 0.005 0.000 0.246 763 D C 0.869 177.224 176.300 0.090 0.000 1.275 763 D CA -0.407 53.642 54.000 0.082 0.000 0.979 763 D CB 0.612 41.461 40.800 0.081 0.000 1.101 763 D HN 0.537 nan 8.370 nan 0.000 0.505 764 K N -0.420 120.026 120.400 0.077 0.000 2.152 764 K HA -0.135 4.188 4.320 0.005 0.000 0.206 764 K C 1.604 178.249 176.600 0.075 0.000 1.048 764 K CA 1.813 58.140 56.287 0.068 0.000 0.933 764 K CB -0.635 31.892 32.500 0.046 0.000 0.721 764 K HN 0.462 nan 8.250 nan 0.000 0.447 765 S N -1.906 113.866 115.700 0.120 0.000 2.605 765 S HA 0.284 4.757 4.470 0.005 0.000 0.217 765 S C 1.163 175.794 174.600 0.053 0.000 0.958 765 S CA 0.140 58.416 58.200 0.128 0.000 0.919 765 S CB 0.121 63.449 63.200 0.212 0.000 0.780 765 S HN 0.469 nan 8.310 nan 0.000 0.507 766 G N 1.341 110.166 108.800 0.042 0.000 2.157 766 G HA2 -0.200 3.763 3.960 0.005 0.000 0.239 766 G HA3 -0.200 3.763 3.960 0.005 0.000 0.239 766 G C -0.125 174.695 174.900 -0.134 0.000 0.982 766 G CA -0.189 44.875 45.100 -0.059 0.000 0.650 766 G HN 0.687 nan 8.290 nan 0.000 0.527 767 H N 0.650 119.728 119.070 0.014 0.000 2.646 767 H HA 0.315 4.874 4.556 0.005 0.000 0.325 767 H C 0.649 175.984 175.328 0.011 0.000 1.075 767 H CA 0.068 56.123 56.048 0.012 0.000 1.421 767 H CB 0.985 30.753 29.762 0.011 0.000 1.461 767 H HN 0.437 nan 8.280 nan 0.000 0.525 768 Q N 2.413 122.272 119.800 0.099 0.000 2.297 768 Q HA 0.102 4.445 4.340 0.005 0.000 0.267 768 Q C 0.791 176.832 176.000 0.069 0.000 1.006 768 Q CA -0.321 55.520 55.803 0.062 0.000 0.896 768 Q CB 0.762 29.522 28.738 0.037 0.000 1.186 768 Q HN 0.657 nan 8.270 nan 0.000 0.392 769 V N 0.379 120.325 119.914 0.053 0.000 3.635 769 V HA 0.674 4.797 4.120 0.005 0.000 0.266 769 V C 0.073 176.189 176.094 0.037 0.000 1.316 769 V CA 0.500 62.828 62.300 0.045 0.000 1.060 769 V CB 0.374 32.222 31.823 0.042 0.000 0.820 769 V HN 0.632 nan 8.190 nan 0.000 0.447 770 A N 0.917 123.756 122.820 0.032 0.000 2.605 770 A HA 0.792 5.114 4.320 0.005 0.000 0.294 770 A C -1.051 176.546 177.584 0.023 0.000 1.062 770 A CA -0.204 51.849 52.037 0.028 0.000 0.682 770 A CB 1.499 20.516 19.000 0.029 0.000 1.278 770 A HN 0.676 nan 8.150 nan 0.000 0.410 771 E N 0.076 120.290 120.200 0.022 0.000 2.383 771 E HA 0.796 5.149 4.350 0.005 0.000 0.275 771 E C -0.837 175.777 176.600 0.024 0.000 0.918 771 E CA -0.780 55.632 56.400 0.020 0.000 0.764 771 E CB 2.121 31.831 29.700 0.017 0.000 1.252 771 E HN 0.720 nan 8.360 nan 0.000 0.449 772 S N 0.821 116.538 115.700 0.028 0.000 2.579 772 S HA 0.603 5.076 4.470 0.005 0.000 0.272 772 S C -1.526 173.098 174.600 0.040 0.000 1.141 772 S CA -0.600 57.622 58.200 0.035 0.000 0.843 772 S CB 1.776 64.999 63.200 0.040 0.000 1.122 772 S HN 0.452 nan 8.310 nan 0.000 0.468 773 V N 2.949 122.886 119.914 0.038 0.000 2.680 773 V HA 0.597 4.719 4.120 0.005 0.000 0.309 773 V C -0.871 175.238 176.094 0.024 0.000 1.052 773 V CA -0.709 61.595 62.300 0.006 0.000 0.908 773 V CB 1.606 33.382 31.823 -0.078 0.000 1.001 773 V HN 0.997 nan 8.190 nan 0.000 0.431 774 H N 2.623 121.566 119.070 -0.211 0.000 2.667 774 H HA 0.688 5.248 4.556 0.005 0.000 0.353 774 H C -1.725 173.258 175.328 -0.574 0.000 1.072 774 H CA -0.595 55.296 56.048 -0.262 0.000 1.214 774 H CB 1.434 31.046 29.762 -0.251 0.000 1.600 774 H HN 0.453 nan 8.280 nan 0.000 0.527 775 F N 4.460 123.937 119.950 -0.789 0.000 2.450 775 F HA 0.251 4.781 4.527 0.005 0.000 0.332 775 F C 0.112 175.399 175.800 -0.855 0.000 1.093 775 F CA -0.603 57.030 58.000 -0.611 0.000 1.003 775 F CB 0.991 39.841 39.000 -0.251 0.000 1.151 775 F HN 0.575 nan 8.300 nan 0.000 0.474 776 F N 0.930 120.840 119.950 -0.066 0.000 2.776 776 F HA 0.279 4.809 4.527 0.005 0.000 0.300 776 F C 0.810 176.609 175.800 -0.001 0.000 1.116 776 F CA 0.088 58.067 58.000 -0.035 0.000 1.375 776 F CB -0.029 38.959 39.000 -0.020 0.000 1.109 776 F HN 0.149 nan 8.300 nan 0.000 0.585 777 R N 0.057 120.655 120.500 0.163 0.000 2.774 777 R HA 0.349 4.692 4.340 0.005 0.000 0.272 777 R C -0.413 175.882 176.300 -0.007 0.000 1.000 777 R CA -1.084 55.067 56.100 0.085 0.000 0.906 777 R CB 1.388 31.753 30.300 0.109 0.000 1.227 777 R HN -0.007 nan 8.270 nan 0.000 0.468 778 K N 0.313 120.670 120.400 -0.072 0.000 2.414 778 K HA 0.039 4.362 4.320 0.005 0.000 0.272 778 K C 0.979 177.449 176.600 -0.217 0.000 0.993 778 K CA 0.240 56.416 56.287 -0.185 0.000 0.964 778 K CB 0.466 32.850 32.500 -0.194 0.000 0.925 778 K HN 0.425 nan 8.250 nan 0.000 0.487 779 T N 2.408 116.734 114.554 -0.381 0.000 2.699 779 T HA -0.220 4.133 4.350 0.005 0.000 0.268 779 T C 1.601 176.179 174.700 -0.203 0.000 1.036 779 T CA 1.915 63.812 62.100 -0.339 0.000 1.147 779 T CB -0.134 68.457 68.868 -0.462 0.000 0.862 779 T HN 0.652 nan 8.240 nan 0.000 0.446 780 K N 0.925 121.172 120.400 -0.256 0.000 2.280 780 K HA -0.091 4.232 4.320 0.005 0.000 0.202 780 K C 1.150 177.682 176.600 -0.113 0.000 1.047 780 K CA 1.563 57.744 56.287 -0.178 0.000 0.942 780 K CB 0.008 32.396 32.500 -0.186 0.000 0.739 780 K HN 0.188 nan 8.250 nan 0.000 0.457 781 D N 0.911 121.262 120.400 -0.081 0.000 2.350 781 D HA 0.114 4.757 4.640 0.005 0.000 0.213 781 D C 0.348 176.676 176.300 0.047 0.000 1.031 781 D CA 0.133 54.119 54.000 -0.023 0.000 0.861 781 D CB 0.153 40.938 40.800 -0.025 0.000 0.926 781 D HN 0.185 nan 8.370 nan 0.000 0.520 782 L N 1.067 122.338 121.223 0.080 0.000 2.416 782 L HA 0.122 4.465 4.340 0.005 0.000 0.272 782 L C 0.741 177.761 176.870 0.250 0.000 1.161 782 L CA 0.050 55.023 54.840 0.222 0.000 0.845 782 L CB 0.494 42.688 42.059 0.224 0.000 1.119 782 L HN -0.328 nan 8.230 nan 0.000 0.464 783 Q N 3.523 123.525 119.800 0.337 0.000 3.006 783 Q HA 0.315 4.658 4.340 0.005 0.000 0.260 783 Q C -0.808 175.451 176.000 0.432 0.000 1.356 783 Q CA -0.164 55.813 55.803 0.290 0.000 1.070 783 Q CB 0.254 29.093 28.738 0.168 0.000 1.507 783 Q HN 0.471 nan 8.270 nan 0.000 0.568 784 L N 3.677 125.096 121.223 0.328 0.000 2.410 784 L HA 0.238 4.581 4.340 0.005 0.000 0.273 784 L C -1.857 175.123 176.870 0.184 0.000 1.152 784 L CA -1.707 53.254 54.840 0.202 0.000 0.855 784 L CB 0.036 42.141 42.059 0.077 0.000 1.129 784 L HN 0.254 nan 8.230 nan 0.000 0.463 785 P HA 0.283 nan 4.420 nan 0.000 0.279 785 P C -2.589 174.751 177.300 0.067 0.000 1.239 785 P CA -1.915 61.258 63.100 0.122 0.000 0.789 785 P CB 0.313 32.095 31.700 0.136 0.000 0.933 786 P HA 0.181 nan 4.420 nan 0.000 0.265 786 P C -0.194 177.129 177.300 0.039 0.000 1.193 786 P CA 0.733 63.853 63.100 0.033 0.000 0.765 786 P CB 0.353 32.061 31.700 0.015 0.000 0.823 787 T N 1.355 115.946 114.554 0.062 0.000 2.886 787 T HA 0.426 4.779 4.350 0.005 0.000 0.330 787 T C -1.352 173.369 174.700 0.035 0.000 1.488 787 T CA -0.438 61.664 62.100 0.002 0.000 1.054 787 T CB 0.777 69.585 68.868 -0.100 0.000 1.348 787 T HN 0.073 nan 8.240 nan 0.000 0.489 788 S N 1.662 117.355 115.700 -0.011 0.000 2.449 788 S HA 0.641 5.114 4.470 0.005 0.000 0.310 788 S C -0.551 174.025 174.600 -0.040 0.000 1.096 788 S CA -0.504 57.706 58.200 0.015 0.000 1.095 788 S CB 0.866 64.081 63.200 0.025 0.000 1.007 788 S HN 0.565 nan 8.310 nan 0.000 0.474 789 V N 5.301 125.196 119.914 -0.030 0.000 2.368 789 V HA 0.346 4.469 4.120 0.005 0.000 0.266 789 V C 0.476 176.625 176.094 0.092 0.000 1.045 789 V CA -0.556 61.727 62.300 -0.029 0.000 0.899 789 V CB 0.678 32.452 31.823 -0.081 0.000 1.006 789 V HN 0.933 nan 8.190 nan 0.000 0.470 790 S N 5.648 121.423 115.700 0.124 0.000 2.616 790 S HA 0.808 5.281 4.470 0.005 0.000 0.277 790 S C -0.771 173.968 174.600 0.233 0.000 1.234 790 S CA -0.584 57.703 58.200 0.144 0.000 1.028 790 S CB 1.301 64.571 63.200 0.117 0.000 0.988 790 S HN 0.782 nan 8.310 nan 0.000 0.522 791 Y N -1.054 119.264 120.300 0.029 0.000 2.562 791 Y HA 0.713 5.266 4.550 0.005 0.000 0.345 791 Y C -0.895 175.011 175.900 0.009 0.000 1.045 791 Y CA -1.272 56.843 58.100 0.025 0.000 1.028 791 Y CB 1.063 39.525 38.460 0.004 0.000 1.297 791 Y HN 0.635 nan 8.280 nan 0.000 0.463 792 Q N 2.940 122.795 119.800 0.092 0.000 2.266 792 Q HA 0.624 4.967 4.340 0.005 0.000 0.261 792 Q C -1.363 174.717 176.000 0.132 0.000 0.985 792 Q CA -1.090 54.723 55.803 0.017 0.000 0.873 792 Q CB 2.774 31.515 28.738 0.004 0.000 1.306 792 Q HN 0.855 nan 8.270 nan 0.000 0.447 793 M N 1.070 120.721 119.600 0.085 0.000 2.386 793 M HA 0.611 5.094 4.480 0.005 0.000 0.293 793 M C -1.741 174.582 176.300 0.039 0.000 1.120 793 M CA -0.377 54.985 55.300 0.104 0.000 0.909 793 M CB 1.634 34.336 32.600 0.170 0.000 1.661 793 M HN 0.506 nan 8.290 nan 0.000 0.452 794 K N 3.297 123.712 120.400 0.025 0.000 2.483 794 K HA 0.532 4.855 4.320 0.005 0.000 0.256 794 K C -1.398 175.202 176.600 -0.002 0.000 0.961 794 K CA -0.668 55.623 56.287 0.006 0.000 0.873 794 K CB 1.760 34.260 32.500 0.001 0.000 1.107 794 K HN 0.808 nan 8.250 nan 0.000 0.432 795 Q N 1.611 121.408 119.800 -0.005 0.000 2.316 795 Q HA 0.653 4.996 4.340 0.005 0.000 0.264 795 Q C -0.146 175.845 176.000 -0.015 0.000 0.987 795 Q CA -0.455 55.340 55.803 -0.013 0.000 0.852 795 Q CB 1.665 30.397 28.738 -0.011 0.000 1.287 795 Q HN 0.854 nan 8.270 nan 0.000 0.448 796 T N -0.488 114.054 114.554 -0.020 0.000 2.838 796 T HA 0.343 4.696 4.350 0.005 0.000 0.292 796 T C -0.658 174.028 174.700 -0.022 0.000 1.113 796 T CA -1.026 61.063 62.100 -0.018 0.000 1.008 796 T CB 1.014 69.872 68.868 -0.017 0.000 1.259 796 T HN 0.440 nan 8.240 nan 0.000 0.520 797 D N 0.528 120.917 120.400 -0.019 0.000 2.487 797 D HA 0.397 5.040 4.640 0.005 0.000 0.243 797 D C 1.586 177.871 176.300 -0.025 0.000 1.154 797 D CA 1.980 55.968 54.000 -0.020 0.000 0.876 797 D CB 0.418 41.210 40.800 -0.014 0.000 1.161 797 D HN 1.170 nan 8.370 nan 0.000 0.478 798 G N 2.231 111.012 108.800 -0.031 0.000 2.179 798 G HA2 -0.311 3.652 3.960 0.005 0.000 0.260 798 G HA3 -0.311 3.652 3.960 0.005 0.000 0.260 798 G C 0.470 175.339 174.900 -0.052 0.000 0.977 798 G CA 0.706 45.783 45.100 -0.038 0.000 0.641 798 G HN 0.633 nan 8.290 nan 0.000 0.533 799 K N -0.987 119.381 120.400 -0.052 0.000 2.543 799 K HA 0.564 4.886 4.320 0.005 0.000 0.255 799 K C -1.540 175.025 176.600 -0.059 0.000 0.934 799 K CA -0.397 55.854 56.287 -0.061 0.000 0.810 799 K CB 1.670 34.142 32.500 -0.046 0.000 1.315 799 K HN 0.497 nan 8.250 nan 0.000 0.433 800 C N 4.116 123.371 119.300 -0.075 0.000 2.442 800 C HA 0.455 4.918 4.460 0.005 0.000 0.335 800 C C -1.162 173.796 174.990 -0.055 0.000 1.134 800 C CA -0.356 58.624 59.018 -0.062 0.000 1.344 800 C CB 0.481 28.170 27.740 -0.085 0.000 1.956 800 C HN 0.898 nan 8.230 nan 0.000 0.438 801 E N 4.792 124.977 120.200 -0.025 0.000 2.146 801 E HA 0.519 4.872 4.350 0.005 0.000 0.282 801 E C -1.072 175.538 176.600 0.016 0.000 0.989 801 E CA -0.404 55.989 56.400 -0.011 0.000 0.799 801 E CB 1.302 30.998 29.700 -0.006 0.000 1.088 801 E HN 0.501 nan 8.360 nan 0.000 0.397 802 L N 2.262 123.499 121.223 0.023 0.000 2.334 802 L HA 0.411 4.754 4.340 0.005 0.000 0.276 802 L C 0.131 177.046 176.870 0.075 0.000 1.014 802 L CA -0.437 54.444 54.840 0.068 0.000 0.815 802 L CB 1.848 43.925 42.059 0.030 0.000 1.268 802 L HN 0.354 nan 8.230 nan 0.000 0.428 803 T N 3.352 117.972 114.554 0.110 0.000 2.791 803 T HA 0.678 5.031 4.350 0.005 0.000 0.288 803 T C -0.510 174.286 174.700 0.161 0.000 0.999 803 T CA -0.378 61.784 62.100 0.103 0.000 0.952 803 T CB 0.857 69.766 68.868 0.070 0.000 0.938 803 T HN 0.092 nan 8.240 nan 0.000 0.444 804 L N 3.489 124.810 121.223 0.164 0.000 2.334 804 L HA 0.764 5.107 4.340 0.005 0.000 0.275 804 L C -0.666 176.351 176.870 0.244 0.000 1.036 804 L CA -0.661 54.295 54.840 0.193 0.000 0.807 804 L CB 1.079 43.227 42.059 0.149 0.000 1.231 804 L HN 0.635 nan 8.230 nan 0.000 0.438 805 F N 1.185 121.165 119.950 0.050 0.000 2.596 805 F HA 0.654 5.184 4.527 0.005 0.000 0.311 805 F C -0.763 175.040 175.800 0.005 0.000 1.116 805 F CA -0.285 57.730 58.000 0.025 0.000 0.957 805 F CB 2.012 41.023 39.000 0.019 0.000 1.250 805 F HN 0.343 nan 8.300 nan 0.000 0.444 806 S N 2.659 117.843 115.700 -0.859 0.000 2.619 806 S HA 0.365 4.838 4.470 0.005 0.000 0.280 806 S C 0.368 174.394 174.600 -0.956 0.000 1.150 806 S CA 0.022 57.797 58.200 -0.708 0.000 0.978 806 S CB 1.342 64.311 63.200 -0.384 0.000 1.041 806 S HN 0.916 nan 8.310 nan 0.000 0.485 807 S N 4.571 119.871 115.700 -0.668 0.000 2.447 807 S HA 0.126 4.599 4.470 0.005 0.000 0.233 807 S C 0.688 175.191 174.600 -0.162 0.000 1.006 807 S CA 0.592 58.594 58.200 -0.330 0.000 0.957 807 S CB -0.430 62.755 63.200 -0.025 0.000 0.773 807 S HN 0.681 nan 8.310 nan 0.000 0.507 808 M N 0.557 120.064 119.600 -0.154 0.000 2.724 808 M HA 0.492 4.975 4.480 0.005 0.000 0.310 808 M C -0.765 175.476 176.300 -0.097 0.000 1.217 808 M CA -1.086 54.185 55.300 -0.049 0.000 0.894 808 M CB 1.818 34.417 32.600 -0.001 0.000 1.719 808 M HN 0.132 nan 8.290 nan 0.000 0.479 809 L N 2.203 123.416 121.223 -0.017 0.000 2.601 809 L HA 0.249 4.592 4.340 0.005 0.000 0.277 809 L C -0.501 176.222 176.870 -0.246 0.000 1.219 809 L CA 0.621 55.384 54.840 -0.129 0.000 0.915 809 L CB 0.128 42.083 42.059 -0.174 0.000 1.160 809 L HN 0.728 nan 8.230 nan 0.000 0.494 810 A N 5.304 127.944 122.820 -0.300 0.000 2.287 810 A HA 0.563 4.886 4.320 0.005 0.000 0.317 810 A C -0.524 176.907 177.584 -0.256 0.000 1.220 810 A CA -0.820 50.963 52.037 -0.424 0.000 0.835 810 A CB 0.786 19.380 19.000 -0.677 0.000 1.180 810 A HN 0.668 nan 8.150 nan 0.000 0.500 811 K N 2.334 122.637 120.400 -0.161 0.000 2.234 811 K HA 0.319 4.642 4.320 0.005 0.000 0.282 811 K C -0.457 176.098 176.600 -0.074 0.000 1.039 811 K CA 0.067 56.251 56.287 -0.171 0.000 0.928 811 K CB 0.267 32.640 32.500 -0.211 0.000 1.039 811 K HN 0.677 nan 8.250 nan 0.000 0.470 812 D N 2.968 123.304 120.400 -0.108 0.000 2.735 812 D HA -0.233 4.409 4.640 0.005 0.000 0.235 812 D C -0.030 176.269 176.300 -0.001 0.000 1.175 812 D CA 1.087 55.063 54.000 -0.040 0.000 0.683 812 D CB -1.189 39.599 40.800 -0.021 0.000 1.008 812 D HN 0.637 nan 8.370 nan 0.000 0.416 813 I N -2.357 118.058 120.570 -0.258 0.000 2.634 813 I HA 0.389 4.562 4.170 0.005 0.000 0.284 813 I C -0.120 175.693 176.117 -0.506 0.000 1.124 813 I CA -0.415 60.668 61.300 -0.362 0.000 1.417 813 I CB 0.636 38.331 38.000 -0.509 0.000 1.396 813 I HN -0.112 nan 8.210 nan 0.000 0.571 814 F N 7.767 127.300 119.950 -0.696 0.000 2.427 814 F HA 0.593 5.123 4.527 0.005 0.000 0.348 814 F C -0.693 174.672 175.800 -0.725 0.000 1.125 814 F CA -1.932 55.478 58.000 -0.983 0.000 0.989 814 F CB 1.026 39.518 39.000 -0.847 0.000 1.165 814 F HN 0.373 nan 8.300 nan 0.000 0.442 815 I N 5.700 125.810 120.570 -0.766 0.000 2.281 815 I HA 0.204 4.377 4.170 0.005 0.000 0.293 815 I C -0.044 175.550 176.117 -0.871 0.000 1.085 815 I CA -0.127 60.776 61.300 -0.663 0.000 1.257 815 I CB 0.642 38.453 38.000 -0.316 0.000 1.430 815 I HN 0.551 nan 8.210 nan 0.000 0.489 816 E N 6.044 125.638 120.200 -1.010 0.000 2.156 816 E HA 0.428 4.781 4.350 0.005 0.000 0.279 816 E C -0.658 175.714 176.600 -0.379 0.000 0.965 816 E CA -0.516 55.321 56.400 -0.939 0.000 0.789 816 E CB 1.191 30.249 29.700 -1.069 0.000 1.098 816 E HN 0.637 nan 8.360 nan 0.000 0.397 817 T N 1.180 115.637 114.554 -0.162 0.000 2.907 817 T HA 0.462 4.815 4.350 0.005 0.000 0.292 817 T C -2.134 172.539 174.700 -0.046 0.000 1.043 817 T CA -1.752 60.294 62.100 -0.090 0.000 1.003 817 T CB 1.785 70.610 68.868 -0.071 0.000 1.084 817 T HN 0.271 nan 8.240 nan 0.000 0.483 818 P HA 0.228 nan 4.420 nan 0.000 0.245 818 P C 0.238 177.525 177.300 -0.021 0.000 1.206 818 P CA -0.085 62.998 63.100 -0.028 0.000 0.781 818 P CB 0.202 31.884 31.700 -0.029 0.000 0.994 819 L N 1.417 122.625 121.223 -0.025 0.000 2.369 819 L HA 0.118 4.460 4.340 0.005 0.000 0.279 819 L C 0.925 177.791 176.870 -0.006 0.000 1.108 819 L CA -0.315 54.509 54.840 -0.027 0.000 0.852 819 L CB 0.223 42.254 42.059 -0.047 0.000 1.169 819 L HN -0.055 nan 8.230 nan 0.000 0.452 820 Q N 2.487 122.275 119.800 -0.020 0.000 2.300 820 Q HA 0.054 4.397 4.340 0.005 0.000 0.280 820 Q C 1.171 177.193 176.000 0.037 0.000 1.033 820 Q CA 0.884 56.682 55.803 -0.007 0.000 0.903 820 Q CB 0.932 29.612 28.738 -0.096 0.000 1.195 820 Q HN 0.915 nan 8.270 nan 0.000 0.386 821 G N 1.824 110.679 108.800 0.090 0.000 2.168 821 G HA2 -0.324 3.639 3.960 0.005 0.000 0.257 821 G HA3 -0.324 3.639 3.960 0.005 0.000 0.257 821 G C 0.413 175.340 174.900 0.046 0.000 0.997 821 G CA 0.287 45.442 45.100 0.090 0.000 0.708 821 G HN 0.913 nan 8.290 nan 0.000 0.520 822 A N -0.197 122.639 122.820 0.027 0.000 2.540 822 A HA 0.578 4.901 4.320 0.005 0.000 0.239 822 A C 0.893 178.433 177.584 -0.073 0.000 1.061 822 A CA 0.522 52.511 52.037 -0.080 0.000 0.758 822 A CB 0.228 19.128 19.000 -0.167 0.000 0.991 822 A HN 0.614 nan 8.150 nan 0.000 0.502 823 R N 0.702 121.096 120.500 -0.176 0.000 2.532 823 R HA 0.557 4.900 4.340 0.005 0.000 0.295 823 R C -1.584 174.578 176.300 -0.229 0.000 0.968 823 R CA -0.272 55.733 56.100 -0.159 0.000 0.916 823 R CB 1.345 31.540 30.300 -0.176 0.000 1.124 823 R HN 0.752 nan 8.270 nan 0.000 0.463 824 Y N -0.515 119.690 120.300 -0.159 0.000 2.446 824 Y HA 0.095 4.648 4.550 0.005 0.000 0.345 824 Y C 1.455 177.321 175.900 -0.057 0.000 0.984 824 Y CA -0.679 57.384 58.100 -0.061 0.000 1.058 824 Y CB 2.296 40.771 38.460 0.025 0.000 1.220 824 Y HN 0.720 nan 8.280 nan 0.000 0.455 825 S N -0.384 115.385 115.700 0.114 0.000 2.402 825 S HA -0.061 4.412 4.470 0.005 0.000 0.229 825 S C 0.070 174.754 174.600 0.140 0.000 1.021 825 S CA 1.351 59.595 58.200 0.074 0.000 0.974 825 S CB 0.094 63.311 63.200 0.029 0.000 0.800 825 S HN 0.728 nan 8.310 nan 0.000 0.484 826 D N -0.547 119.965 120.400 0.186 0.000 2.623 826 D HA 0.616 5.259 4.640 0.005 0.000 0.241 826 D C -1.654 174.700 176.300 0.089 0.000 1.241 826 D CA -0.456 53.648 54.000 0.174 0.000 0.788 826 D CB 1.903 42.703 40.800 -0.001 0.000 1.413 826 D HN 0.088 nan 8.370 nan 0.000 0.429 827 N N 0.247 118.763 118.700 -0.306 0.000 3.046 827 N HA 0.345 5.088 4.740 0.005 0.000 0.243 827 N C -1.197 173.981 175.510 -0.553 0.000 1.452 827 N CA -0.477 52.188 53.050 -0.642 0.000 0.882 827 N CB 0.774 38.569 38.487 -1.153 0.000 1.425 827 N HN 0.433 nan 8.380 nan 0.000 0.517 828 F N -0.014 119.593 119.950 -0.571 0.000 2.891 828 F HA -0.215 4.315 4.527 0.005 0.000 0.272 828 F C -0.470 175.189 175.800 -0.236 0.000 1.004 828 F CA 0.709 58.479 58.000 -0.384 0.000 0.938 828 F CB -1.732 37.086 39.000 -0.304 0.000 0.939 828 F HN 0.334 nan 8.300 nan 0.000 0.833 829 F N -2.154 117.756 119.950 -0.067 0.000 2.611 829 F HA 0.762 5.292 4.527 0.005 0.000 0.324 829 F C -0.095 175.659 175.800 -0.077 0.000 1.061 829 F CA -1.932 56.032 58.000 -0.059 0.000 0.954 829 F CB 0.842 39.798 39.000 -0.073 0.000 1.301 829 F HN -0.171 nan 8.300 nan 0.000 0.482 830 D N 2.141 122.654 120.400 0.187 0.000 2.264 830 D HA 0.254 4.897 4.640 0.005 0.000 0.250 830 D C -0.820 175.573 176.300 0.157 0.000 1.113 830 D CA -0.063 53.965 54.000 0.047 0.000 0.871 830 D CB 2.314 43.113 40.800 -0.001 0.000 1.167 830 D HN 0.476 nan 8.370 nan 0.000 0.447 831 L N 3.795 125.042 121.223 0.040 0.000 2.261 831 L HA 0.227 4.570 4.340 0.005 0.000 0.289 831 L C -0.571 176.253 176.870 -0.077 0.000 1.059 831 L CA -0.289 54.585 54.840 0.057 0.000 0.816 831 L CB 0.329 42.390 42.059 0.003 0.000 1.191 831 L HN 0.221 nan 8.230 nan 0.000 0.431 832 L N 7.192 128.377 121.223 -0.063 0.000 2.395 832 L HA 0.405 4.748 4.340 0.005 0.000 0.269 832 L C -1.837 175.023 176.870 -0.016 0.000 1.133 832 L CA -2.008 52.792 54.840 -0.067 0.000 0.812 832 L CB 0.407 42.452 42.059 -0.024 0.000 1.125 832 L HN 0.494 nan 8.230 nan 0.000 0.452 833 P HA -0.004 nan 4.420 nan 0.000 0.263 833 P C 0.745 178.042 177.300 -0.004 0.000 1.195 833 P CA 0.568 63.672 63.100 0.006 0.000 0.762 833 P CB 0.759 32.534 31.700 0.125 0.000 0.799 834 G N 2.584 111.294 108.800 -0.151 0.000 2.166 834 G HA2 -0.268 3.695 3.960 0.005 0.000 0.260 834 G HA3 -0.268 3.695 3.960 0.005 0.000 0.260 834 G C -0.088 174.922 174.900 0.184 0.000 0.986 834 G CA -0.036 45.090 45.100 0.043 0.000 0.683 834 G HN 0.623 nan 8.290 nan 0.000 0.527 835 E N 0.902 121.147 120.200 0.075 0.000 2.101 835 E HA 0.562 4.915 4.350 0.005 0.000 0.260 835 E C 0.850 177.525 176.600 0.126 0.000 0.897 835 E CA -0.187 56.279 56.400 0.110 0.000 0.744 835 E CB 0.635 30.375 29.700 0.068 0.000 1.140 835 E HN 0.641 nan 8.360 nan 0.000 0.419 836 R N 2.579 123.201 120.500 0.203 0.000 2.679 836 R HA 0.142 4.485 4.340 0.005 0.000 0.268 836 R C -0.018 176.334 176.300 0.087 0.000 1.044 836 R CA 0.045 56.265 56.100 0.200 0.000 1.105 836 R CB 0.028 30.429 30.300 0.170 0.000 0.989 836 R HN 0.404 nan 8.270 nan 0.000 0.447 837 K N 1.001 121.446 120.400 0.075 0.000 2.541 837 K HA 0.312 4.634 4.320 0.005 0.000 0.250 837 K C -1.033 175.575 176.600 0.014 0.000 0.950 837 K CA -0.556 55.729 56.287 -0.003 0.000 0.805 837 K CB 1.626 34.098 32.500 -0.047 0.000 1.166 837 K HN 0.632 nan 8.250 nan 0.000 0.430 838 K N 3.340 123.729 120.400 -0.018 0.000 2.205 838 K HA 0.481 4.804 4.320 0.005 0.000 0.279 838 K C -1.242 175.347 176.600 -0.018 0.000 1.027 838 K CA -0.691 55.594 56.287 -0.004 0.000 0.932 838 K CB 1.074 33.569 32.500 -0.007 0.000 1.032 838 K HN 0.408 nan 8.250 nan 0.000 0.466 839 V N 6.240 126.163 119.914 0.015 0.000 2.623 839 V HA 0.374 4.497 4.120 0.005 0.000 0.304 839 V C -0.462 175.637 176.094 0.010 0.000 1.054 839 V CA -0.807 61.513 62.300 0.033 0.000 0.882 839 V CB 1.724 33.615 31.823 0.113 0.000 1.002 839 V HN 0.712 nan 8.190 nan 0.000 0.424 840 I N 5.675 126.241 120.570 -0.006 0.000 2.359 840 I HA 0.519 4.691 4.170 0.005 0.000 0.294 840 I C -0.558 175.497 176.117 -0.104 0.000 0.987 840 I CA -0.385 60.887 61.300 -0.046 0.000 1.225 840 I CB 1.601 39.578 38.000 -0.038 0.000 1.366 840 I HN 0.419 nan 8.210 nan 0.000 0.466 841 I N 5.162 125.626 120.570 -0.177 0.000 2.433 841 I HA 0.399 4.572 4.170 0.005 0.000 0.292 841 I C -0.031 175.946 176.117 -0.234 0.000 1.001 841 I CA -0.417 60.681 61.300 -0.337 0.000 1.119 841 I CB 2.144 39.853 38.000 -0.484 0.000 1.289 841 I HN 0.560 nan 8.210 nan 0.000 0.438 842 T N 1.450 115.867 114.554 -0.229 0.000 2.893 842 T HA 0.764 5.117 4.350 0.005 0.000 0.291 842 T C -0.578 174.038 174.700 -0.139 0.000 1.028 842 T CA -0.848 61.164 62.100 -0.148 0.000 0.995 842 T CB 1.983 70.791 68.868 -0.101 0.000 1.051 842 T HN 0.608 nan 8.240 nan 0.000 0.470 843 S N 1.775 117.417 115.700 -0.097 0.000 2.578 843 S HA 0.480 4.953 4.470 0.005 0.000 0.285 843 S C -2.618 171.954 174.600 -0.047 0.000 1.126 843 S CA -0.947 57.211 58.200 -0.070 0.000 0.878 843 S CB 1.539 64.691 63.200 -0.079 0.000 1.091 843 S HN 0.456 nan 8.310 nan 0.000 0.450 844 P HA 0.066 nan 4.420 nan 0.000 0.225 844 P C 1.408 178.697 177.300 -0.018 0.000 1.148 844 P CA 1.174 64.263 63.100 -0.018 0.000 0.779 844 P CB 0.007 31.703 31.700 -0.006 0.000 0.780 845 R N -0.357 120.129 120.500 -0.023 0.000 2.310 845 R HA 0.163 4.506 4.340 0.005 0.000 0.202 845 R C 0.976 177.258 176.300 -0.029 0.000 0.933 845 R CA 0.190 56.277 56.100 -0.022 0.000 1.054 845 R CB -1.389 28.899 30.300 -0.019 0.000 0.985 845 R HN 0.215 nan 8.270 nan 0.000 0.489 846 I N 2.648 123.194 120.570 -0.039 0.000 2.517 846 I HA 0.078 4.251 4.170 0.005 0.000 0.285 846 I C -0.340 175.759 176.117 -0.030 0.000 1.106 846 I CA -0.041 61.234 61.300 -0.042 0.000 1.402 846 I CB 1.384 39.349 38.000 -0.059 0.000 1.399 846 I HN 0.044 nan 8.210 nan 0.000 0.535 847 K N 5.546 125.932 120.400 -0.025 0.000 2.244 847 K HA 0.343 4.666 4.320 0.005 0.000 0.260 847 K C -0.334 176.256 176.600 -0.017 0.000 0.951 847 K CA -1.179 55.098 56.287 -0.018 0.000 0.826 847 K CB 1.794 34.286 32.500 -0.013 0.000 1.108 847 K HN 0.541 nan 8.250 nan 0.000 0.433 848 K N 0.566 120.957 120.400 -0.015 0.000 2.484 848 K HA 0.176 4.499 4.320 0.005 0.000 0.280 848 K C 1.088 177.682 176.600 -0.011 0.000 1.013 848 K CA 1.650 57.929 56.287 -0.013 0.000 1.029 848 K CB -0.161 32.331 32.500 -0.012 0.000 0.902 848 K HN 0.930 nan 8.250 nan 0.000 0.481 849 G N 3.203 111.997 108.800 -0.010 0.000 2.176 849 G HA2 -0.242 3.721 3.960 0.005 0.000 0.253 849 G HA3 -0.242 3.721 3.960 0.005 0.000 0.253 849 G C -0.409 174.485 174.900 -0.009 0.000 0.979 849 G CA 0.257 45.351 45.100 -0.009 0.000 0.641 849 G HN 0.691 nan 8.290 nan 0.000 0.530 850 E N 0.801 120.995 120.200 -0.010 0.000 2.795 850 E HA 0.250 4.603 4.350 0.005 0.000 0.226 850 E C 0.002 176.595 176.600 -0.012 0.000 1.088 850 E CA -0.549 55.845 56.400 -0.011 0.000 0.812 850 E CB 0.937 30.630 29.700 -0.012 0.000 1.328 850 E HN 0.528 nan 8.360 nan 0.000 0.410 851 E N 2.738 122.934 120.200 -0.007 0.000 2.652 851 E HA -0.111 4.242 4.350 0.005 0.000 0.255 851 E C -0.407 176.190 176.600 -0.006 0.000 0.952 851 E CA -0.223 56.176 56.400 -0.002 0.000 0.947 851 E CB 0.494 30.197 29.700 0.006 0.000 0.912 851 E HN 0.250 nan 8.360 nan 0.000 0.489 852 L N 8.085 129.301 121.223 -0.011 0.000 2.477 852 L HA 0.198 4.541 4.340 0.005 0.000 0.272 852 L C -2.297 174.560 176.870 -0.022 0.000 1.157 852 L CA -1.288 53.534 54.840 -0.031 0.000 0.889 852 L CB 0.458 42.483 42.059 -0.058 0.000 1.158 852 L HN 0.432 nan 8.230 nan 0.000 0.473 853 P HA 0.156 nan 4.420 nan 0.000 0.267 853 P C -1.268 175.985 177.300 -0.078 0.000 1.205 853 P CA 0.012 63.093 63.100 -0.032 0.000 0.765 853 P CB 0.822 32.501 31.700 -0.036 0.000 0.828 854 V N 3.729 123.590 119.914 -0.088 0.000 2.638 854 V HA 0.445 4.567 4.120 0.005 0.000 0.306 854 V C -0.318 175.651 176.094 -0.209 0.000 1.052 854 V CA -0.500 61.667 62.300 -0.223 0.000 0.885 854 V CB 2.007 33.570 31.823 -0.433 0.000 0.999 854 V HN 0.478 nan 8.190 nan 0.000 0.424 855 N N 4.259 122.791 118.700 -0.280 0.000 2.448 855 N HA 0.552 5.295 4.740 0.005 0.000 0.279 855 N C -1.256 174.027 175.510 -0.378 0.000 1.025 855 N CA -0.364 52.528 53.050 -0.262 0.000 0.898 855 N CB 1.277 39.618 38.487 -0.243 0.000 1.303 855 N HN 0.628 nan 8.380 nan 0.000 0.495 856 I N 3.101 123.489 120.570 -0.303 0.000 2.321 856 I HA 0.303 4.476 4.170 0.005 0.000 0.291 856 I C 0.174 176.105 176.117 -0.310 0.000 0.998 856 I CA -0.563 60.536 61.300 -0.335 0.000 1.227 856 I CB 1.009 38.864 38.000 -0.241 0.000 1.368 856 I HN 0.292 nan 8.210 nan 0.000 0.466 857 K N 5.402 125.532 120.400 -0.449 0.000 2.208 857 K HA 0.707 5.030 4.320 0.005 0.000 0.247 857 K C -1.003 175.316 176.600 -0.468 0.000 0.953 857 K CA -0.879 55.066 56.287 -0.570 0.000 0.837 857 K CB 1.974 33.910 32.500 -0.940 0.000 1.131 857 K HN 0.688 nan 8.250 nan 0.000 0.431 858 H N -1.800 117.011 119.070 -0.432 0.000 3.014 858 H HA 0.289 4.848 4.556 0.005 0.000 0.337 858 H C 0.249 175.579 175.328 0.004 0.000 1.320 858 H CA -0.936 55.010 56.048 -0.170 0.000 1.128 858 H CB 0.402 30.056 29.762 -0.180 0.000 1.862 858 H HN 0.314 nan 8.280 nan 0.000 0.536 859 I N 0.129 120.807 120.570 0.181 0.000 2.226 859 I HA -0.154 4.019 4.170 0.005 0.000 0.245 859 I C 2.372 178.464 176.117 -0.042 0.000 1.100 859 I CA 1.333 62.733 61.300 0.166 0.000 1.374 859 I CB -0.704 37.389 38.000 0.155 0.000 1.057 859 I HN 0.696 nan 8.210 nan 0.000 0.413 860 R N 1.660 122.075 120.500 -0.142 0.000 2.152 860 R HA -0.146 4.197 4.340 0.005 0.000 0.232 860 R C 1.954 177.868 176.300 -0.642 0.000 1.117 860 R CA 1.270 57.106 56.100 -0.440 0.000 0.981 860 R CB -0.440 29.781 30.300 -0.133 0.000 0.870 860 R HN 0.407 nan 8.270 nan 0.000 0.451 861 E N -0.831 119.002 120.200 -0.613 0.000 2.265 861 E HA -0.125 4.228 4.350 0.005 0.000 0.196 861 E C 1.144 177.552 176.600 -0.321 0.000 0.996 861 E CA 1.526 57.630 56.400 -0.494 0.000 0.832 861 E CB -0.009 29.331 29.700 -0.600 0.000 0.756 861 E HN 0.585 nan 8.360 nan 0.000 0.491 862 T N -1.555 112.850 114.554 -0.249 0.000 3.113 862 T HA -0.047 4.306 4.350 0.005 0.000 0.256 862 T C 0.259 175.019 174.700 0.099 0.000 1.131 862 T CA 0.125 62.216 62.100 -0.014 0.000 1.074 862 T CB -0.320 68.637 68.868 0.149 0.000 0.944 862 T HN 0.225 nan 8.240 nan 0.000 0.516 863 Y N -1.553 118.742 120.300 -0.008 0.000 2.655 863 Y HA 0.792 5.345 4.550 0.005 0.000 0.336 863 Y C -0.496 175.405 175.900 0.001 0.000 1.154 863 Y CA -2.022 56.080 58.100 0.005 0.000 1.055 863 Y CB 1.138 39.608 38.460 0.016 0.000 1.295 863 Y HN -0.280 nan 8.280 nan 0.000 0.465 864 K N 0.000 120.523 120.400 0.205 0.000 2.780 864 K HA 0.000 4.323 4.320 0.005 0.000 0.191 864 K CA 0.000 56.349 56.287 0.103 0.000 0.838 864 K CB 0.000 32.542 32.500 0.070 0.000 1.064 864 K HN 0.000 nan 8.250 nan 0.000 0.543