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 2oae_1_B DATA FIRST_RESID 38 DATA SEQUENCE RRTYTLADYL KNTFRVKSYS LRWVSDSEYL YKQENNILLF NAEHGNSSIF DATA SEQUENCE LENSTFEIFG DSISDYSVSP DRLFVLLEYN YVKQWRHSYT ASYSIYDLNK DATA SEQUENCE RQLITEEKIP NNTQWITWSQ EGHKLAYVWK NDIYVKIEPH LPSHRITSTG DATA SEQUENCE KENVIFNGIN DWVYEEEIFG AYSALWWSPN GTFLAYAQFN DTGVPLIEYS DATA SEQUENCE FYSDESLQYP KTVWIPYPKA GAVNPTVKFF IVNTDSLSST TTTIPMQITA DATA SEQUENCE PASVTTGDHY LCDVAWVSED RISLQWLRRI QNYSVMAIcD YDKTTLVWNc DATA SEQUENCE PTTQEHIETS ATGWCGRFRP AEPHFTSDGS SFYKIVSDKD GYKHIcQFQK DATA SEQUENCE DRKPEQVcTF ITKGAWEVIS IEALTSDYLY YISNEYKEMP GGRNLYKIQL DATA SEQUENCE TDHTNKKCLS CDLNPERcQY YSVSLSKEAK YYQLGcRGPG LPLYTLHRST DATA SEQUENCE DQKELRVLED NSALDKMLQD VQMPSKKLDF IVLNETRFWY QMILPPHFDK DATA SEQUENCE SKKYPLLIDV YAGPCSQKAD AAFRLNWATY LASTENIIVA SFDGRGSGYQ DATA SEQUENCE GDKIMHAINK RLGTLEVEDQ IEAARQFLKM GFVDSKRVAI WGWSYGGYVT DATA SEQUENCE SMVLGSGSGV FKcGIAVAPV SRWEYYDSVY TERYMGLPTP EDNLDHYRNS DATA SEQUENCE TVMSRAENFK QVEYLLIHGT ADDNVHFQQS AQISKALVDA GVDFQAMWYT DATA SEQUENCE DEDHGIASST AHQHIYSHMS HFLQQcFSLR 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 38 R HA 0.000 nan 4.340 nan 0.000 0.208 38 R C 0.000 176.354 176.300 0.091 0.000 0.893 38 R CA 0.000 56.152 56.100 0.087 0.000 0.921 38 R CB 0.000 30.347 30.300 0.078 0.000 0.687 39 R N 0.001 120.559 120.500 0.097 0.000 2.486 39 R HA 0.960 5.301 4.340 0.000 0.000 0.286 39 R C 0.723 177.094 176.300 0.118 0.000 0.999 39 R CA 0.410 56.577 56.100 0.111 0.000 0.993 39 R CB 0.579 30.958 30.300 0.131 0.000 1.084 39 R HN 1.596 nan 8.270 nan 0.000 0.487 40 T N -0.451 114.179 114.554 0.127 0.000 2.912 40 T HA 0.507 4.857 4.350 0.000 0.000 0.280 40 T C -0.334 174.495 174.700 0.214 0.000 0.989 40 T CA -0.470 61.712 62.100 0.136 0.000 0.995 40 T CB 0.471 69.403 68.868 0.107 0.000 1.077 40 T HN 0.690 nan 8.240 nan 0.000 0.531 41 Y N 2.256 122.611 120.300 0.091 0.000 2.585 41 Y HA 0.480 5.030 4.550 0.000 0.000 0.354 41 Y C 1.082 177.157 175.900 0.292 0.000 1.024 41 Y CA -0.511 57.689 58.100 0.168 0.000 1.321 41 Y CB -0.594 37.920 38.460 0.091 0.000 1.151 41 Y HN 0.926 nan 8.280 nan 0.000 0.525 42 T N 3.654 118.239 114.554 0.052 0.000 2.856 42 T HA 0.370 4.720 4.350 0.000 0.000 0.306 42 T C 1.545 176.225 174.700 -0.033 0.000 1.062 42 T CA 0.068 62.235 62.100 0.111 0.000 1.083 42 T CB 0.313 69.207 68.868 0.043 0.000 0.984 42 T HN 0.954 nan 8.240 nan 0.000 0.542 43 L N 0.959 122.058 121.223 -0.206 0.000 2.201 43 L HA 0.378 4.718 4.340 0.000 0.000 0.212 43 L C 3.070 179.792 176.870 -0.247 0.000 1.105 43 L CA 2.520 56.943 54.840 -0.695 0.000 0.775 43 L CB -1.932 39.486 42.059 -1.068 0.000 0.913 43 L HN 1.111 nan 8.230 nan 0.000 0.440 44 A N -1.055 121.666 122.820 -0.164 0.000 1.968 44 A HA -0.164 4.156 4.320 0.000 0.000 0.217 44 A C 2.122 179.625 177.584 -0.134 0.000 1.169 44 A CA 1.222 53.188 52.037 -0.118 0.000 0.638 44 A CB -0.609 18.346 19.000 -0.076 0.000 0.812 44 A HN 0.612 nan 8.150 nan 0.000 0.446 45 D N -1.596 118.688 120.400 -0.194 0.000 2.182 45 D HA -0.159 4.481 4.640 0.000 0.000 0.201 45 D C 1.561 177.779 176.300 -0.137 0.000 0.986 45 D CA 1.492 55.347 54.000 -0.241 0.000 0.847 45 D CB -0.217 40.281 40.800 -0.502 0.000 0.942 45 D HN 0.628 nan 8.370 nan 0.000 0.467 46 Y N 1.137 121.270 120.300 -0.278 0.000 2.201 46 Y HA 0.018 4.568 4.550 0.000 0.000 0.292 46 Y C 2.189 178.086 175.900 -0.005 0.000 1.119 46 Y CA 0.936 59.026 58.100 -0.017 0.000 1.127 46 Y CB -0.573 37.904 38.460 0.029 0.000 1.019 46 Y HN -0.157 nan 8.280 nan 0.000 0.514 47 L N 0.258 121.309 121.223 -0.286 0.000 2.083 47 L HA -0.200 4.140 4.340 0.000 0.000 0.209 47 L C 1.792 178.548 176.870 -0.190 0.000 1.083 47 L CA 1.480 56.125 54.840 -0.325 0.000 0.752 47 L CB -0.464 41.481 42.059 -0.191 0.000 0.899 47 L HN 0.123 nan 8.230 nan 0.000 0.433 48 K N -0.007 120.312 120.400 -0.134 0.000 2.387 48 K HA 0.043 4.363 4.320 0.000 0.000 0.198 48 K C 0.161 176.712 176.600 -0.083 0.000 1.022 48 K CA -0.142 56.089 56.287 -0.095 0.000 1.128 48 K CB -0.432 32.017 32.500 -0.086 0.000 0.853 48 K HN 0.178 nan 8.250 nan 0.000 0.523 49 N N 1.478 120.134 118.700 -0.073 0.000 2.688 49 N HA -0.177 4.563 4.740 0.000 0.000 0.258 49 N C 0.152 175.648 175.510 -0.022 0.000 1.016 49 N CA 0.892 53.942 53.050 -0.000 0.000 0.747 49 N CB -1.235 37.246 38.487 -0.010 0.000 0.895 49 N HN 0.097 nan 8.380 nan 0.000 0.543 50 T N -0.043 114.457 114.554 -0.090 0.000 2.708 50 T HA -0.066 4.284 4.350 0.000 0.000 0.266 50 T C 0.473 174.926 174.700 -0.412 0.000 1.037 50 T CA 1.392 63.285 62.100 -0.347 0.000 1.146 50 T CB -0.203 68.277 68.868 -0.647 0.000 0.865 50 T HN 0.402 nan 8.240 nan 0.000 0.435 51 F N 2.293 122.347 119.950 0.172 0.000 2.313 51 F HA 0.405 4.933 4.527 0.000 0.000 0.369 51 F C 0.544 176.444 175.800 0.167 0.000 1.109 51 F CA -1.339 56.770 58.000 0.182 0.000 1.132 51 F CB 0.432 39.583 39.000 0.251 0.000 1.291 51 F HN -0.118 nan 8.300 nan 0.000 0.496 52 R N 2.731 123.373 120.500 0.236 0.000 2.389 52 R HA 0.507 4.847 4.340 0.000 0.000 0.295 52 R C -1.391 175.034 176.300 0.207 0.000 1.075 52 R CA -0.301 55.908 56.100 0.181 0.000 1.005 52 R CB 0.898 31.264 30.300 0.109 0.000 0.987 52 R HN 0.473 nan 8.270 nan 0.000 0.452 53 V N 5.740 125.777 119.914 0.205 0.000 2.350 53 V HA 0.240 4.360 4.120 0.000 0.000 0.276 53 V C 0.092 176.291 176.094 0.175 0.000 1.028 53 V CA -0.593 61.838 62.300 0.218 0.000 0.860 53 V CB 1.274 33.267 31.823 0.283 0.000 0.990 53 V HN 0.819 nan 8.190 nan 0.000 0.453 54 K N 2.784 123.282 120.400 0.163 0.000 2.098 54 K HA 0.753 5.073 4.320 0.000 0.000 0.244 54 K C 0.134 176.832 176.600 0.162 0.000 1.014 54 K CA -0.355 56.014 56.287 0.137 0.000 0.917 54 K CB 1.458 34.032 32.500 0.124 0.000 1.072 54 K HN 0.842 nan 8.250 nan 0.000 0.477 55 S N -0.464 115.243 115.700 0.012 0.000 2.688 55 S HA 0.341 4.811 4.470 0.000 0.000 0.275 55 S C -1.780 172.577 174.600 -0.406 0.000 1.175 55 S CA -0.889 57.081 58.200 -0.382 0.000 0.818 55 S CB 0.745 63.762 63.200 -0.306 0.000 1.157 55 S HN 0.596 nan 8.310 nan 0.000 0.482 56 Y N 1.286 120.983 120.300 -1.004 0.000 2.749 56 Y HA 0.557 5.107 4.550 0.000 0.000 0.343 56 Y C -0.628 175.078 175.900 -0.323 0.000 1.015 56 Y CA -0.410 57.428 58.100 -0.437 0.000 1.270 56 Y CB 1.228 39.428 38.460 -0.433 0.000 1.097 56 Y HN 0.749 nan 8.280 nan 0.000 0.571 57 S N 6.518 122.057 115.700 -0.269 0.000 2.409 57 S HA 0.422 4.892 4.470 0.000 0.000 0.308 57 S C -0.597 173.863 174.600 -0.235 0.000 1.080 57 S CA -0.633 57.443 58.200 -0.206 0.000 1.081 57 S CB -0.403 62.710 63.200 -0.146 0.000 1.009 57 S HN 0.551 nan 8.310 nan 0.000 0.502 58 L N 1.472 122.517 121.223 -0.297 0.000 2.365 58 L HA 0.733 5.074 4.340 0.000 0.000 0.267 58 L C 0.058 176.774 176.870 -0.257 0.000 1.033 58 L CA -0.769 53.841 54.840 -0.383 0.000 0.802 58 L CB 0.351 41.845 42.059 -0.942 0.000 1.267 58 L HN 0.315 nan 8.230 nan 0.000 0.457 59 R N 0.645 121.055 120.500 -0.149 0.000 2.407 59 R HA 0.283 4.623 4.340 0.000 0.000 0.298 59 R C -1.618 174.734 176.300 0.087 0.000 1.166 59 R CA -0.273 55.822 56.100 -0.010 0.000 1.006 59 R CB 0.796 31.136 30.300 0.067 0.000 1.145 59 R HN 0.681 nan 8.270 nan 0.000 0.538 60 W N 2.776 124.168 121.300 0.154 0.000 2.443 60 W HA -0.056 4.604 4.660 0.000 0.000 0.335 60 W C 1.139 177.742 176.519 0.139 0.000 1.382 60 W CA -0.345 57.109 57.345 0.183 0.000 1.305 60 W CB 0.526 30.079 29.460 0.155 0.000 1.283 60 W HN 0.368 nan 8.180 nan 0.000 0.567 61 V N 2.603 122.769 119.914 0.419 0.000 3.125 61 V HA -0.027 4.093 4.120 0.000 0.000 0.249 61 V C 0.975 177.197 176.094 0.213 0.000 1.113 61 V CA 1.339 63.775 62.300 0.227 0.000 1.106 61 V CB -0.165 31.722 31.823 0.106 0.000 0.768 61 V HN 0.595 nan 8.190 nan 0.000 0.468 62 S N -1.228 114.638 115.700 0.276 0.000 3.121 62 S HA 0.335 4.805 4.470 0.000 0.000 0.324 62 S C 0.179 174.865 174.600 0.143 0.000 1.192 62 S CA 0.107 58.416 58.200 0.182 0.000 0.937 62 S CB 1.425 64.718 63.200 0.154 0.000 1.336 62 S HN 0.052 nan 8.310 nan 0.000 0.664 63 D N 0.235 120.688 120.400 0.088 0.000 2.339 63 D HA 0.245 4.885 4.640 0.000 0.000 0.217 63 D C 1.125 177.503 176.300 0.129 0.000 1.050 63 D CA 0.963 54.968 54.000 0.008 0.000 0.856 63 D CB 0.144 40.948 40.800 0.007 0.000 0.922 63 D HN 0.507 nan 8.370 nan 0.000 0.518 64 S N -2.179 113.662 115.700 0.235 0.000 2.820 64 S HA 0.287 4.757 4.470 0.000 0.000 0.265 64 S C 0.331 175.099 174.600 0.280 0.000 1.043 64 S CA -0.672 57.724 58.200 0.328 0.000 1.245 64 S CB 0.797 64.173 63.200 0.294 0.000 1.187 64 S HN 0.034 nan 8.310 nan 0.000 0.673 65 E N 0.451 120.876 120.200 0.375 0.000 2.393 65 E HA 0.648 4.998 4.350 0.000 0.000 0.273 65 E C -1.703 175.167 176.600 0.449 0.000 0.918 65 E CA -1.050 55.515 56.400 0.274 0.000 0.773 65 E CB 2.207 31.982 29.700 0.125 0.000 1.275 65 E HN 0.433 nan 8.360 nan 0.000 0.451 66 Y N -0.939 119.471 120.300 0.183 0.000 2.644 66 Y HA 0.670 5.220 4.550 0.000 0.000 0.338 66 Y C -1.746 174.177 175.900 0.038 0.000 1.119 66 Y CA -1.306 56.802 58.100 0.014 0.000 1.060 66 Y CB 0.824 38.988 38.460 -0.494 0.000 1.294 66 Y HN 0.361 nan 8.280 nan 0.000 0.472 67 L N 2.136 123.542 121.223 0.306 0.000 2.331 67 L HA 0.559 4.899 4.340 0.000 0.000 0.275 67 L C -1.455 175.642 176.870 0.378 0.000 1.022 67 L CA -1.031 53.953 54.840 0.240 0.000 0.812 67 L CB 1.922 44.027 42.059 0.078 0.000 1.257 67 L HN 0.793 nan 8.230 nan 0.000 0.435 68 Y N 2.144 122.554 120.300 0.184 0.000 2.479 68 Y HA 0.287 4.837 4.550 0.000 0.000 0.338 68 Y C -0.730 175.183 175.900 0.022 0.000 1.055 68 Y CA -1.147 56.955 58.100 0.003 0.000 1.023 68 Y CB 1.665 40.026 38.460 -0.166 0.000 1.287 68 Y HN 0.414 nan 8.280 nan 0.000 0.447 69 K N 5.190 125.187 120.400 -0.673 0.000 2.285 69 K HA 0.265 4.585 4.320 0.000 0.000 0.286 69 K C -1.049 175.158 176.600 -0.656 0.000 1.072 69 K CA -0.289 55.690 56.287 -0.513 0.000 0.913 69 K CB 0.607 32.887 32.500 -0.368 0.000 1.067 69 K HN 0.831 nan 8.250 nan 0.000 0.479 70 Q N 4.370 124.017 119.800 -0.254 0.000 2.303 70 Q HA 0.088 4.428 4.340 0.000 0.000 0.267 70 Q C -1.185 174.769 176.000 -0.077 0.000 1.011 70 Q CA -0.255 55.511 55.803 -0.062 0.000 0.740 70 Q CB 1.028 29.904 28.738 0.231 0.000 1.250 70 Q HN 0.753 nan 8.270 nan 0.000 0.458 71 E N 3.149 123.297 120.200 -0.086 0.000 2.252 71 E HA -0.342 4.008 4.350 0.000 0.000 0.218 71 E C -0.703 175.810 176.600 -0.146 0.000 1.253 71 E CA 0.439 56.788 56.400 -0.084 0.000 0.705 71 E CB -1.320 28.355 29.700 -0.042 0.000 1.172 71 E HN 0.863 nan 8.360 nan 0.000 0.369 72 N N 0.443 119.013 118.700 -0.216 0.000 2.727 72 N HA -0.169 4.571 4.740 0.000 0.000 0.249 72 N C -1.091 174.152 175.510 -0.444 0.000 1.048 72 N CA 1.065 53.906 53.050 -0.349 0.000 0.714 72 N CB -0.738 37.599 38.487 -0.250 0.000 0.959 72 N HN 0.474 nan 8.380 nan 0.000 0.544 73 N N 0.673 119.150 118.700 -0.373 0.000 2.397 73 N HA 0.277 5.017 4.740 0.000 0.000 0.291 73 N C -0.480 174.875 175.510 -0.259 0.000 1.065 73 N CA -0.532 52.334 53.050 -0.306 0.000 0.884 73 N CB 1.386 39.779 38.487 -0.157 0.000 1.551 73 N HN -0.032 nan 8.380 nan 0.000 0.487 74 I N 3.399 123.813 120.570 -0.261 0.000 2.337 74 I HA 0.333 4.503 4.170 0.000 0.000 0.291 74 I C 0.294 176.452 176.117 0.068 0.000 1.046 74 I CA -0.219 61.004 61.300 -0.129 0.000 1.324 74 I CB 0.071 37.971 38.000 -0.167 0.000 1.409 74 I HN 0.269 nan 8.210 nan 0.000 0.494 75 L N 6.401 127.715 121.223 0.152 0.000 2.329 75 L HA 0.470 4.810 4.340 0.000 0.000 0.279 75 L C -0.347 176.625 176.870 0.169 0.000 1.014 75 L CA -0.986 53.937 54.840 0.138 0.000 0.814 75 L CB 2.067 44.197 42.059 0.119 0.000 1.257 75 L HN 0.327 nan 8.230 nan 0.000 0.424 76 L N 2.970 124.192 121.223 -0.002 0.000 2.265 76 L HA 0.516 4.856 4.340 0.000 0.000 0.288 76 L C -0.958 175.762 176.870 -0.251 0.000 1.058 76 L CA 0.429 55.243 54.840 -0.043 0.000 0.809 76 L CB 0.367 42.432 42.059 0.009 0.000 1.179 76 L HN 0.202 nan 8.230 nan 0.000 0.429 77 F N 3.493 123.181 119.950 -0.436 0.000 2.507 77 F HA 0.439 4.966 4.527 0.000 0.000 0.327 77 F C 0.550 176.048 175.800 -0.502 0.000 1.068 77 F CA -0.637 57.015 58.000 -0.580 0.000 0.965 77 F CB 1.287 39.624 39.000 -1.105 0.000 1.192 77 F HN 0.515 nan 8.300 nan 0.000 0.476 78 N N 1.928 120.549 118.700 -0.131 0.000 2.546 78 N HA 0.402 5.142 4.740 0.000 0.000 0.238 78 N C -0.953 174.499 175.510 -0.096 0.000 0.984 78 N CA -0.198 52.810 53.050 -0.070 0.000 0.935 78 N CB 1.241 39.729 38.487 0.001 0.000 1.122 78 N HN 0.737 nan 8.380 nan 0.000 0.510 79 A N 2.792 125.521 122.820 -0.153 0.000 2.511 79 A HA 0.265 4.585 4.320 0.000 0.000 0.242 79 A C 0.909 178.158 177.584 -0.558 0.000 1.069 79 A CA 0.402 52.224 52.037 -0.358 0.000 0.763 79 A CB 0.102 18.723 19.000 -0.631 0.000 1.001 79 A HN 0.925 nan 8.150 nan 0.000 0.498 80 E N -0.105 119.856 120.200 -0.399 0.000 3.484 80 E HA -0.124 4.226 4.350 0.000 0.000 0.131 80 E C -0.343 175.941 176.600 -0.527 0.000 0.716 80 E CA 1.301 57.460 56.400 -0.403 0.000 3.008 80 E CB -1.053 28.397 29.700 -0.417 0.000 1.247 80 E HN 0.887 nan 8.360 nan 0.000 0.746 81 H N -0.810 118.246 119.070 -0.023 0.000 2.637 81 H HA 0.552 5.108 4.556 0.000 0.000 0.363 81 H C 1.052 176.377 175.328 -0.005 0.000 1.131 81 H CA -0.129 55.913 56.048 -0.010 0.000 1.183 81 H CB 1.573 31.330 29.762 -0.009 0.000 1.637 81 H HN 0.317 nan 8.280 nan 0.000 0.531 82 G N 1.984 110.854 108.800 0.116 0.000 2.537 82 G HA2 -0.293 3.667 3.960 0.000 0.000 0.220 82 G HA3 -0.293 3.667 3.960 0.000 0.000 0.220 82 G C 0.765 175.703 174.900 0.064 0.000 1.111 82 G CA 0.238 45.405 45.100 0.112 0.000 0.748 82 G HN 0.697 nan 8.290 nan 0.000 0.564 83 N N 0.535 119.259 118.700 0.040 0.000 1.792 83 N HA -0.029 4.711 4.740 0.000 0.000 0.321 83 N C 0.915 176.318 175.510 -0.178 0.000 1.314 83 N CA 0.707 53.733 53.050 -0.041 0.000 0.814 83 N CB 0.356 38.849 38.487 0.009 0.000 1.073 83 N HN 0.388 nan 8.380 nan 0.000 0.503 84 S N 1.942 117.467 115.700 -0.292 0.000 2.816 84 S HA 0.794 5.264 4.470 0.000 0.000 0.253 84 S C -0.242 174.145 174.600 -0.354 0.000 1.055 84 S CA -0.083 57.765 58.200 -0.587 0.000 1.032 84 S CB 1.506 64.186 63.200 -0.868 0.000 1.270 84 S HN 0.878 nan 8.310 nan 0.000 0.587 85 S N -0.944 114.547 115.700 -0.348 0.000 2.915 85 S HA 0.152 4.622 4.470 0.000 0.000 0.274 85 S C -1.508 173.025 174.600 -0.112 0.000 0.746 85 S CA -0.839 57.258 58.200 -0.171 0.000 0.796 85 S CB -0.789 62.348 63.200 -0.105 0.000 1.004 85 S HN 0.752 nan 8.310 nan 0.000 0.549 86 I N 5.544 126.073 120.570 -0.068 0.000 2.533 86 I HA 0.191 4.361 4.170 0.000 0.000 0.284 86 I C 0.932 177.069 176.117 0.032 0.000 1.109 86 I CA 0.108 61.390 61.300 -0.029 0.000 1.412 86 I CB 0.521 38.489 38.000 -0.054 0.000 1.396 86 I HN 0.773 nan 8.210 nan 0.000 0.543 87 F N 7.365 127.270 119.950 -0.075 0.000 2.383 87 F HA 0.365 4.892 4.527 0.000 0.000 0.287 87 F C 0.373 176.145 175.800 -0.047 0.000 1.069 87 F CA 0.463 58.437 58.000 -0.043 0.000 1.402 87 F CB 0.538 39.529 39.000 -0.016 0.000 1.116 87 F HN 0.170 nan 8.300 nan 0.000 0.549 88 L N 0.996 122.219 121.223 -0.000 0.000 2.455 88 L HA 0.311 4.651 4.340 0.000 0.000 0.264 88 L C -0.776 176.000 176.870 -0.156 0.000 0.968 88 L CA -0.839 53.935 54.840 -0.110 0.000 0.827 88 L CB 2.339 44.383 42.059 -0.026 0.000 1.317 88 L HN -0.107 nan 8.230 nan 0.000 0.407 89 E N 1.539 121.644 120.200 -0.158 0.000 2.349 89 E HA 0.094 4.444 4.350 0.000 0.000 0.262 89 E C 0.128 176.614 176.600 -0.190 0.000 1.088 89 E CA -0.530 55.779 56.400 -0.152 0.000 0.899 89 E CB 1.040 30.676 29.700 -0.108 0.000 1.044 89 E HN 0.480 nan 8.360 nan 0.000 0.420 90 N N 0.944 119.544 118.700 -0.167 0.000 2.247 90 N HA -0.161 4.579 4.740 0.000 0.000 0.189 90 N C 1.248 176.697 175.510 -0.102 0.000 1.009 90 N CA 0.878 53.833 53.050 -0.159 0.000 0.872 90 N CB -0.017 38.410 38.487 -0.101 0.000 0.980 90 N HN 0.316 nan 8.380 nan 0.000 0.436 91 S N -0.878 114.774 115.700 -0.079 0.000 2.280 91 S HA -0.056 4.414 4.470 0.000 0.000 0.204 91 S C 1.366 175.960 174.600 -0.011 0.000 1.402 91 S CA 2.056 60.229 58.200 -0.046 0.000 1.162 91 S CB -0.489 62.678 63.200 -0.056 0.000 0.673 91 S HN 0.544 nan 8.310 nan 0.000 0.428 92 T N 1.153 115.674 114.554 -0.056 0.000 11.885 92 T HA -0.341 4.009 4.350 0.000 0.000 0.416 92 T C 1.205 175.909 174.700 0.006 0.000 1.443 92 T CA 2.480 64.519 62.100 -0.103 0.000 2.385 92 T CB -2.038 66.678 68.868 -0.253 0.000 2.858 92 T HN 0.492 nan 8.240 nan 0.000 0.894 93 F N 3.249 123.095 119.950 -0.173 0.000 2.257 93 F HA -0.132 4.395 4.527 0.000 0.000 0.302 93 F C 2.492 178.231 175.800 -0.102 0.000 1.056 93 F CA 1.682 59.610 58.000 -0.120 0.000 1.353 93 F CB -0.429 38.508 39.000 -0.104 0.000 1.064 93 F HN 0.581 nan 8.300 nan 0.000 0.520 94 E N 0.297 120.539 120.200 0.070 0.000 2.472 94 E HA -0.039 4.311 4.350 0.000 0.000 0.196 94 E C 1.923 178.498 176.600 -0.043 0.000 1.033 94 E CA 0.519 56.924 56.400 0.008 0.000 0.886 94 E CB -0.829 28.875 29.700 0.006 0.000 0.944 94 E HN 0.432 nan 8.360 nan 0.000 0.492 95 I N 1.001 121.532 120.570 -0.065 0.000 2.179 95 I HA -0.206 3.964 4.170 0.000 0.000 0.242 95 I C 2.369 178.400 176.117 -0.142 0.000 1.088 95 I CA 1.877 63.126 61.300 -0.086 0.000 1.357 95 I CB -0.571 37.380 38.000 -0.082 0.000 1.051 95 I HN 0.128 nan 8.210 nan 0.000 0.409 96 F N 2.287 122.110 119.950 -0.212 0.000 2.869 96 F HA 0.575 5.102 4.527 0.000 0.000 0.298 96 F C 1.556 177.236 175.800 -0.200 0.000 1.235 96 F CA -0.146 57.646 58.000 -0.347 0.000 1.402 96 F CB -1.763 36.895 39.000 -0.569 0.000 1.142 96 F HN 0.290 nan 8.300 nan 0.000 0.529 97 G N 1.084 109.813 108.800 -0.119 0.000 2.685 97 G HA2 -0.419 3.541 3.960 0.000 0.000 0.329 97 G HA3 -0.419 3.541 3.960 0.000 0.000 0.329 97 G C 0.687 175.570 174.900 -0.030 0.000 1.271 97 G CA 0.771 45.835 45.100 -0.060 0.000 1.003 97 G HN 1.105 nan 8.290 nan 0.000 0.549 98 D N -0.124 120.268 120.400 -0.013 0.000 2.513 98 D HA 0.205 4.845 4.640 0.000 0.000 0.222 98 D C 1.598 177.908 176.300 0.017 0.000 1.210 98 D CA 1.005 55.010 54.000 0.008 0.000 0.825 98 D CB 0.040 40.844 40.800 0.008 0.000 1.037 98 D HN 0.783 nan 8.370 nan 0.000 0.506 99 S N -0.070 115.640 115.700 0.016 0.000 2.572 99 S HA 0.160 4.630 4.470 0.000 0.000 0.228 99 S C 0.855 175.499 174.600 0.073 0.000 0.963 99 S CA -0.518 57.715 58.200 0.055 0.000 0.939 99 S CB -0.159 63.102 63.200 0.102 0.000 0.804 99 S HN 0.076 nan 8.310 nan 0.000 0.480 100 I N 3.759 124.342 120.570 0.022 0.000 2.577 100 I HA 0.075 4.245 4.170 0.000 0.000 0.299 100 I C 1.689 177.818 176.117 0.020 0.000 1.157 100 I CA 0.167 61.458 61.300 -0.015 0.000 1.418 100 I CB -0.326 37.594 38.000 -0.133 0.000 1.467 100 I HN 0.415 nan 8.210 nan 0.000 0.624 101 S N 4.338 120.050 115.700 0.019 0.000 2.355 101 S HA -0.098 4.372 4.470 0.000 0.000 0.222 101 S C 0.701 175.310 174.600 0.014 0.000 1.031 101 S CA 1.299 59.487 58.200 -0.019 0.000 0.993 101 S CB 0.260 63.450 63.200 -0.016 0.000 0.859 101 S HN 0.785 nan 8.310 nan 0.000 0.453 102 D N -2.292 118.137 120.400 0.048 0.000 2.713 102 D HA 0.403 5.043 4.640 0.000 0.000 0.306 102 D C -1.713 174.686 176.300 0.165 0.000 1.299 102 D CA -0.545 53.530 54.000 0.125 0.000 0.823 102 D CB 1.041 41.887 40.800 0.077 0.000 1.353 102 D HN 0.292 nan 8.370 nan 0.000 0.447 103 Y N -1.223 119.154 120.300 0.129 0.000 2.562 103 Y HA 0.760 5.310 4.550 0.000 0.000 0.345 103 Y C -1.400 174.642 175.900 0.237 0.000 1.045 103 Y CA -0.897 57.298 58.100 0.159 0.000 1.028 103 Y CB 1.896 40.490 38.460 0.223 0.000 1.297 103 Y HN 0.179 nan 8.280 nan 0.000 0.463 104 S N 2.370 118.235 115.700 0.275 0.000 2.720 104 S HA 0.601 5.071 4.470 0.000 0.000 0.278 104 S C -1.882 173.058 174.600 0.566 0.000 1.172 104 S CA -0.589 57.781 58.200 0.282 0.000 1.019 104 S CB 0.919 64.291 63.200 0.288 0.000 1.049 104 S HN 0.720 nan 8.310 nan 0.000 0.483 105 V N 5.332 125.499 119.914 0.422 0.000 2.432 105 V HA 0.405 4.525 4.120 0.000 0.000 0.275 105 V C 0.814 176.848 176.094 -0.101 0.000 1.043 105 V CA -0.517 61.971 62.300 0.314 0.000 0.925 105 V CB 1.196 33.192 31.823 0.289 0.000 0.985 105 V HN 1.023 nan 8.190 nan 0.000 0.466 106 S N 7.297 122.615 115.700 -0.637 0.000 2.558 106 S HA 0.094 4.564 4.470 0.000 0.000 0.287 106 S C -1.101 173.190 174.600 -0.516 0.000 1.321 106 S CA -0.491 56.814 58.200 -1.492 0.000 1.048 106 S CB 0.503 62.750 63.200 -1.588 0.000 0.844 106 S HN 0.668 nan 8.310 nan 0.000 0.512 107 P HA -0.120 nan 4.420 nan 0.000 0.219 107 P C 0.556 177.819 177.300 -0.062 0.000 1.146 107 P CA 1.305 64.333 63.100 -0.119 0.000 0.808 107 P CB -0.245 31.418 31.700 -0.062 0.000 0.779 108 D N -0.391 119.968 120.400 -0.069 0.000 2.370 108 D HA -0.012 4.628 4.640 0.000 0.000 0.230 108 D C 0.285 176.591 176.300 0.009 0.000 1.143 108 D CA -0.421 53.583 54.000 0.007 0.000 0.834 108 D CB -0.599 40.247 40.800 0.078 0.000 0.944 108 D HN 0.093 nan 8.370 nan 0.000 0.504 109 R N -0.018 120.489 120.500 0.011 0.000 3.591 109 R HA -0.196 4.144 4.340 0.000 0.000 0.268 109 R C 0.812 177.144 176.300 0.055 0.000 1.102 109 R CA 0.389 56.570 56.100 0.135 0.000 0.732 109 R CB -2.099 28.339 30.300 0.230 0.000 1.117 109 R HN 0.371 nan 8.270 nan 0.000 0.472 110 L N -1.230 119.924 121.223 -0.114 0.000 2.463 110 L HA 0.230 4.571 4.340 0.000 0.000 0.219 110 L C 0.459 176.839 176.870 -0.816 0.000 1.088 110 L CA 0.682 55.240 54.840 -0.470 0.000 0.849 110 L CB 0.183 41.884 42.059 -0.596 0.000 1.012 110 L HN 0.008 nan 8.230 nan 0.000 0.468 111 F N -1.805 118.108 119.950 -0.063 0.000 2.650 111 F HA 0.606 5.133 4.527 0.000 0.000 0.320 111 F C -0.449 175.489 175.800 0.230 0.000 1.091 111 F CA -1.114 56.931 58.000 0.075 0.000 0.962 111 F CB 1.665 40.755 39.000 0.149 0.000 1.363 111 F HN -0.567 nan 8.300 nan 0.000 0.482 112 V N 2.207 122.498 119.914 0.629 0.000 2.686 112 V HA 0.374 4.494 4.120 0.000 0.000 0.306 112 V C -0.726 175.722 176.094 0.591 0.000 1.065 112 V CA -0.778 61.894 62.300 0.620 0.000 0.894 112 V CB 2.142 34.283 31.823 0.531 0.000 1.004 112 V HN 0.561 nan 8.190 nan 0.000 0.424 113 L N 5.225 126.802 121.223 0.590 0.000 2.290 113 L HA 0.490 4.830 4.340 0.000 0.000 0.284 113 L C -0.681 176.377 176.870 0.315 0.000 1.078 113 L CA -0.229 54.835 54.840 0.373 0.000 0.815 113 L CB 0.917 43.111 42.059 0.225 0.000 1.162 113 L HN 0.465 nan 8.230 nan 0.000 0.435 114 L N 4.634 125.995 121.223 0.229 0.000 2.294 114 L HA 0.409 4.749 4.340 0.000 0.000 0.283 114 L C 0.039 176.947 176.870 0.064 0.000 1.015 114 L CA -0.366 54.520 54.840 0.075 0.000 0.831 114 L CB 1.551 43.587 42.059 -0.039 0.000 1.217 114 L HN 0.596 nan 8.230 nan 0.000 0.420 115 E N 4.347 124.517 120.200 -0.051 0.000 2.266 115 E HA 0.481 4.831 4.350 0.000 0.000 0.277 115 E C -1.589 174.947 176.600 -0.107 0.000 1.018 115 E CA -0.410 55.772 56.400 -0.363 0.000 0.840 115 E CB 1.149 30.725 29.700 -0.207 0.000 1.082 115 E HN 0.454 nan 8.360 nan 0.000 0.395 116 Y N 0.933 121.028 120.300 -0.342 0.000 2.641 116 Y HA 0.358 4.908 4.550 0.000 0.000 0.333 116 Y C -0.756 175.074 175.900 -0.117 0.000 1.174 116 Y CA -1.404 56.594 58.100 -0.170 0.000 1.057 116 Y CB 0.619 38.988 38.460 -0.152 0.000 1.322 116 Y HN 0.597 nan 8.280 nan 0.000 0.457 117 N N -0.152 118.564 118.700 0.026 0.000 2.783 117 N HA -0.280 4.460 4.740 0.000 0.000 0.247 117 N C -1.232 174.274 175.510 -0.007 0.000 1.089 117 N CA 0.852 53.895 53.050 -0.013 0.000 0.690 117 N CB -1.754 36.663 38.487 -0.116 0.000 0.991 117 N HN 0.879 nan 8.380 nan 0.000 0.552 118 Y N -0.018 120.233 120.300 -0.082 0.000 2.526 118 Y HA 0.339 4.889 4.550 0.000 0.000 0.330 118 Y C 0.113 176.001 175.900 -0.020 0.000 1.156 118 Y CA -0.021 58.046 58.100 -0.055 0.000 1.419 118 Y CB 0.683 39.058 38.460 -0.143 0.000 1.250 118 Y HN -0.009 nan 8.280 nan 0.000 0.540 119 V N 7.856 127.645 119.914 -0.210 0.000 2.488 119 V HA 0.194 4.314 4.120 0.000 0.000 0.293 119 V C -0.291 175.653 176.094 -0.250 0.000 1.027 119 V CA -1.370 60.868 62.300 -0.104 0.000 0.862 119 V CB 1.410 33.188 31.823 -0.076 0.000 1.008 119 V HN 0.783 nan 8.190 nan 0.000 0.428 120 K N 3.792 124.145 120.400 -0.077 0.000 2.230 120 K HA 0.357 4.677 4.320 0.000 0.000 0.253 120 K C -0.277 176.223 176.600 -0.167 0.000 1.008 120 K CA -0.092 56.168 56.287 -0.045 0.000 0.910 120 K CB 0.622 33.206 32.500 0.141 0.000 0.994 120 K HN 0.763 nan 8.250 nan 0.000 0.495 121 Q N 3.410 123.069 119.800 -0.235 0.000 2.842 121 Q HA 0.100 4.440 4.340 0.000 0.000 0.215 121 Q C -1.831 173.868 176.000 -0.501 0.000 0.764 121 Q CA -0.390 55.034 55.803 -0.631 0.000 0.994 121 Q CB 0.271 28.510 28.738 -0.832 0.000 1.554 121 Q HN 0.870 nan 8.270 nan 0.000 0.475 122 W N 1.064 122.397 121.300 0.054 0.000 3.116 122 W HA -0.323 4.337 4.660 0.000 0.000 0.320 122 W C 1.053 177.539 176.519 -0.056 0.000 0.078 122 W CA -0.269 57.103 57.345 0.045 0.000 0.459 122 W CB -0.703 28.723 29.460 -0.056 0.000 2.784 122 W HN 0.657 nan 8.180 nan 0.000 0.417 123 R N -0.436 120.127 120.500 0.105 0.000 2.091 123 R HA -0.164 4.176 4.340 0.000 0.000 0.238 123 R C 1.597 177.650 176.300 -0.412 0.000 1.136 123 R CA 2.456 58.404 56.100 -0.254 0.000 0.959 123 R CB -0.304 29.662 30.300 -0.557 0.000 0.856 123 R HN 0.528 nan 8.270 nan 0.000 0.437 124 H N -2.251 116.881 119.070 0.102 0.000 3.205 124 H HA 0.276 4.832 4.556 0.000 0.000 0.252 124 H C 0.225 175.630 175.328 0.129 0.000 1.015 124 H CA -0.196 55.933 56.048 0.135 0.000 1.192 124 H CB 0.699 30.518 29.762 0.095 0.000 1.474 124 H HN -0.019 nan 8.280 nan 0.000 0.484 125 S N 1.307 116.972 115.700 -0.059 0.000 2.584 125 S HA 0.306 4.776 4.470 0.000 0.000 0.270 125 S C -0.683 173.820 174.600 -0.162 0.000 1.346 125 S CA -0.229 57.645 58.200 -0.542 0.000 1.018 125 S CB 0.366 62.816 63.200 -1.250 0.000 0.899 125 S HN 0.501 nan 8.310 nan 0.000 0.542 126 Y N -2.434 117.706 120.300 -0.266 0.000 2.786 126 Y HA 0.497 5.047 4.550 0.000 0.000 0.365 126 Y C -1.020 174.795 175.900 -0.142 0.000 1.171 126 Y CA -1.196 56.707 58.100 -0.328 0.000 1.214 126 Y CB 0.203 38.292 38.460 -0.618 0.000 1.411 126 Y HN 0.733 nan 8.280 nan 0.000 0.485 127 T N 0.559 115.090 114.554 -0.037 0.000 2.887 127 T HA 1.025 5.375 4.350 0.000 0.000 0.288 127 T C -0.484 174.246 174.700 0.050 0.000 1.021 127 T CA -0.042 62.060 62.100 0.003 0.000 1.000 127 T CB 1.770 70.635 68.868 -0.004 0.000 1.034 127 T HN 1.844 nan 8.240 nan 0.000 0.467 128 A N 1.472 124.336 122.820 0.074 0.000 2.567 128 A HA 0.863 5.183 4.320 0.000 0.000 0.289 128 A C -0.517 176.923 177.584 -0.240 0.000 1.177 128 A CA -0.997 50.978 52.037 -0.103 0.000 0.694 128 A CB 1.320 20.237 19.000 -0.139 0.000 1.292 128 A HN 0.869 nan 8.150 nan 0.000 0.425 129 S N -0.724 114.570 115.700 -0.676 0.000 2.549 129 S HA 0.793 5.263 4.470 0.000 0.000 0.297 129 S C -1.495 172.475 174.600 -1.051 0.000 1.115 129 S CA -0.103 57.626 58.200 -0.784 0.000 1.059 129 S CB 0.742 63.261 63.200 -1.134 0.000 1.046 129 S HN 0.449 nan 8.310 nan 0.000 0.506 130 Y N 0.127 120.191 120.300 -0.394 0.000 2.576 130 Y HA 0.620 5.170 4.550 0.000 0.000 0.346 130 Y C 0.092 176.020 175.900 0.047 0.000 1.018 130 Y CA -0.784 57.232 58.100 -0.139 0.000 1.050 130 Y CB 2.172 40.494 38.460 -0.230 0.000 1.280 130 Y HN 0.555 nan 8.280 nan 0.000 0.474 131 S N 2.575 118.433 115.700 0.263 0.000 2.575 131 S HA 0.563 5.033 4.470 0.000 0.000 0.278 131 S C -1.335 173.357 174.600 0.154 0.000 1.139 131 S CA -0.683 57.617 58.200 0.166 0.000 0.954 131 S CB 1.010 64.296 63.200 0.144 0.000 1.054 131 S HN 0.344 nan 8.310 nan 0.000 0.483 132 I N 3.279 123.910 120.570 0.101 0.000 2.342 132 I HA 0.265 4.435 4.170 0.000 0.000 0.291 132 I C -0.529 175.725 176.117 0.228 0.000 1.010 132 I CA -0.441 60.953 61.300 0.157 0.000 1.308 132 I CB 0.319 38.331 38.000 0.021 0.000 1.400 132 I HN 0.713 nan 8.210 nan 0.000 0.488 133 Y N 5.500 125.924 120.300 0.207 0.000 2.331 133 Y HA 0.266 4.816 4.550 0.000 0.000 0.338 133 Y C 0.132 176.161 175.900 0.214 0.000 0.976 133 Y CA -0.669 57.526 58.100 0.159 0.000 1.137 133 Y CB 0.853 39.381 38.460 0.113 0.000 1.172 133 Y HN 0.507 nan 8.280 nan 0.000 0.478 134 D N 6.789 126.928 120.400 -0.435 0.000 2.352 134 D HA 0.071 4.712 4.640 0.000 0.000 0.245 134 D C 0.941 176.834 176.300 -0.678 0.000 1.224 134 D CA 0.378 54.165 54.000 -0.355 0.000 0.879 134 D CB 0.772 41.486 40.800 -0.143 0.000 1.057 134 D HN 0.874 nan 8.370 nan 0.000 0.491 135 L N 3.742 124.695 121.223 -0.451 0.000 1.970 135 L HA -0.240 4.100 4.340 0.000 0.000 0.212 135 L C 2.149 178.846 176.870 -0.288 0.000 1.071 135 L CA 1.110 55.786 54.840 -0.275 0.000 0.751 135 L CB -0.490 41.410 42.059 -0.264 0.000 0.889 135 L HN 0.426 nan 8.230 nan 0.000 0.432 136 N N 0.686 119.187 118.700 -0.331 0.000 2.013 136 N HA -0.276 4.464 4.740 0.000 0.000 0.195 136 N C 1.719 177.114 175.510 -0.191 0.000 1.051 136 N CA 1.739 54.645 53.050 -0.239 0.000 0.851 136 N CB -0.124 38.213 38.487 -0.250 0.000 1.044 136 N HN -0.040 nan 8.380 nan 0.000 0.422 137 K N 0.935 121.218 120.400 -0.195 0.000 2.519 137 K HA 0.050 4.370 4.320 0.000 0.000 0.196 137 K C -0.424 176.078 176.600 -0.164 0.000 1.041 137 K CA 0.345 56.549 56.287 -0.138 0.000 0.954 137 K CB -0.134 32.320 32.500 -0.077 0.000 0.774 137 K HN 0.227 nan 8.250 nan 0.000 0.480 138 R N 0.854 121.205 120.500 -0.248 0.000 3.059 138 R HA -0.244 4.096 4.340 0.000 0.000 0.251 138 R C -1.112 175.071 176.300 -0.195 0.000 0.886 138 R CA 1.192 57.172 56.100 -0.199 0.000 0.634 138 R CB -1.696 28.579 30.300 -0.042 0.000 1.282 138 R HN 0.655 nan 8.270 nan 0.000 0.487 139 Q N -1.329 118.142 119.800 -0.549 0.000 2.994 139 Q HA 0.329 4.670 4.340 0.000 0.000 0.287 139 Q C -1.286 174.543 176.000 -0.284 0.000 0.916 139 Q CA -1.101 54.580 55.803 -0.204 0.000 0.806 139 Q CB 0.570 29.278 28.738 -0.051 0.000 1.711 139 Q HN 0.125 nan 8.270 nan 0.000 0.477 140 L N 1.885 123.137 121.223 0.049 0.000 2.361 140 L HA 0.392 4.732 4.340 0.000 0.000 0.278 140 L C -0.099 176.791 176.870 0.033 0.000 1.113 140 L CA -0.522 54.375 54.840 0.094 0.000 0.849 140 L CB 0.196 42.336 42.059 0.135 0.000 1.155 140 L HN 0.555 nan 8.230 nan 0.000 0.452 141 I N 2.764 123.342 120.570 0.013 0.000 2.710 141 I HA -0.088 4.082 4.170 0.000 0.000 0.286 141 I C 1.235 177.355 176.117 0.006 0.000 1.181 141 I CA 0.600 61.898 61.300 -0.003 0.000 1.430 141 I CB 0.912 38.812 38.000 -0.166 0.000 1.367 141 I HN 0.663 nan 8.210 nan 0.000 0.577 142 T N 3.218 117.788 114.554 0.027 0.000 2.975 142 T HA 0.111 4.461 4.350 0.000 0.000 0.261 142 T C 1.072 175.772 174.700 0.000 0.000 0.984 142 T CA 0.092 62.198 62.100 0.010 0.000 0.911 142 T CB 0.165 69.043 68.868 0.016 0.000 1.127 142 T HN 0.610 nan 8.240 nan 0.000 0.514 143 E N 1.554 121.766 120.200 0.019 0.000 1.983 143 E HA 0.067 4.417 4.350 0.000 0.000 0.202 143 E C 0.618 177.203 176.600 -0.026 0.000 0.944 143 E CA 0.684 57.091 56.400 0.011 0.000 0.903 143 E CB -0.015 29.715 29.700 0.050 0.000 0.843 143 E HN 0.219 nan 8.360 nan 0.000 0.542 144 E N 2.335 122.518 120.200 -0.030 0.000 1.842 144 E HA 0.047 4.397 4.350 0.000 0.000 0.278 144 E C -0.542 175.993 176.600 -0.108 0.000 1.171 144 E CA 0.152 56.513 56.400 -0.065 0.000 1.127 144 E CB -0.316 29.355 29.700 -0.048 0.000 1.100 144 E HN 0.184 nan 8.360 nan 0.000 0.456 145 K N 0.943 121.270 120.400 -0.121 0.000 2.188 145 K HA 0.230 4.550 4.320 0.000 0.000 0.246 145 K C 0.768 177.212 176.600 -0.259 0.000 1.026 145 K CA -0.200 55.992 56.287 -0.158 0.000 0.871 145 K CB 0.834 33.259 32.500 -0.126 0.000 1.042 145 K HN 0.355 nan 8.250 nan 0.000 0.509 146 I N 2.512 122.888 120.570 -0.323 0.000 2.354 146 I HA 0.237 4.408 4.170 0.000 0.000 0.292 146 I C -2.116 173.675 176.117 -0.542 0.000 0.989 146 I CA -2.550 58.416 61.300 -0.557 0.000 1.188 146 I CB 1.456 39.045 38.000 -0.685 0.000 1.342 146 I HN 0.434 nan 8.210 nan 0.000 0.457 147 P HA -0.176 nan 4.420 nan 0.000 0.265 147 P C -0.541 176.479 177.300 -0.467 0.000 1.151 147 P CA 0.653 63.245 63.100 -0.848 0.000 0.755 147 P CB 0.246 30.897 31.700 -1.750 0.000 0.756 148 N N 2.225 120.759 118.700 -0.276 0.000 2.482 148 N HA 0.001 4.741 4.740 0.000 0.000 0.220 148 N C 0.389 175.895 175.510 -0.006 0.000 1.255 148 N CA -0.132 52.846 53.050 -0.121 0.000 0.850 148 N CB -0.186 38.259 38.487 -0.071 0.000 1.127 148 N HN 0.333 nan 8.380 nan 0.000 0.475 149 N N -0.094 118.665 118.700 0.099 0.000 2.297 149 N HA -0.015 4.725 4.740 0.000 0.000 0.244 149 N C -1.101 174.590 175.510 0.302 0.000 1.412 149 N CA 0.018 53.189 53.050 0.203 0.000 0.837 149 N CB 0.625 39.280 38.487 0.280 0.000 1.336 149 N HN -0.005 nan 8.380 nan 0.000 0.508 150 T N 1.057 115.754 114.554 0.239 0.000 2.923 150 T HA -0.037 4.313 4.350 0.000 0.000 0.304 150 T C 1.579 176.383 174.700 0.173 0.000 1.044 150 T CA 0.784 63.022 62.100 0.231 0.000 1.141 150 T CB 1.128 69.981 68.868 -0.025 0.000 1.023 150 T HN 0.201 nan 8.240 nan 0.000 0.533 151 Q N 1.243 121.143 119.800 0.166 0.000 2.376 151 Q HA 0.178 4.518 4.340 0.000 0.000 0.206 151 Q C 0.153 176.226 176.000 0.122 0.000 0.921 151 Q CA 0.317 56.204 55.803 0.139 0.000 0.911 151 Q CB 0.743 29.529 28.738 0.080 0.000 1.032 151 Q HN 0.749 nan 8.270 nan 0.000 0.510 152 W N -0.259 120.936 121.300 -0.176 0.000 3.464 152 W HA 0.504 5.165 4.660 0.000 0.000 0.292 152 W C -2.385 174.014 176.519 -0.199 0.000 1.262 152 W CA -0.683 56.519 57.345 -0.238 0.000 1.202 152 W CB 0.930 30.188 29.460 -0.338 0.000 1.334 152 W HN -0.098 nan 8.180 nan 0.000 0.561 153 I N 3.627 123.359 120.570 -1.397 0.000 2.918 153 I HA 0.671 4.841 4.170 0.000 0.000 0.301 153 I C -1.479 173.951 176.117 -1.145 0.000 1.312 153 I CA -0.090 60.590 61.300 -1.034 0.000 1.007 153 I CB 2.593 39.986 38.000 -1.012 0.000 1.281 153 I HN 0.386 nan 8.210 nan 0.000 0.440 154 T N 3.500 117.700 114.554 -0.590 0.000 2.893 154 T HA 0.403 4.753 4.350 0.000 0.000 0.337 154 T C -1.903 172.729 174.700 -0.112 0.000 1.587 154 T CA -0.343 61.580 62.100 -0.295 0.000 1.066 154 T CB 0.616 69.504 68.868 0.034 0.000 1.414 154 T HN 0.547 nan 8.240 nan 0.000 0.488 155 W N 2.248 123.549 121.300 0.002 0.000 2.213 155 W HA 0.567 5.227 4.660 0.000 0.000 0.356 155 W C 1.332 177.720 176.519 -0.218 0.000 1.273 155 W CA -0.463 56.837 57.345 -0.076 0.000 1.391 155 W CB 0.727 30.160 29.460 -0.045 0.000 1.187 155 W HN 0.834 nan 8.180 nan 0.000 0.649 156 S N -0.161 115.358 115.700 -0.301 0.000 2.625 156 S HA 0.093 4.563 4.470 0.000 0.000 0.262 156 S C 0.541 175.016 174.600 -0.208 0.000 1.223 156 S CA -0.392 57.284 58.200 -0.873 0.000 0.993 156 S CB 0.562 63.061 63.200 -1.169 0.000 1.051 156 S HN 0.650 nan 8.310 nan 0.000 0.562 157 Q N -0.144 119.574 119.800 -0.137 0.000 2.424 157 Q HA 0.067 4.407 4.340 0.000 0.000 0.204 157 Q C 0.685 176.660 176.000 -0.043 0.000 0.933 157 Q CA 0.625 56.428 55.803 -0.000 0.000 0.929 157 Q CB 0.068 28.841 28.738 0.058 0.000 1.037 157 Q HN 0.664 nan 8.270 nan 0.000 0.511 158 E N -0.045 120.079 120.200 -0.126 0.000 2.799 158 E HA 0.142 4.492 4.350 0.000 0.000 0.298 158 E C 1.125 177.648 176.600 -0.130 0.000 0.805 158 E CA 0.490 56.821 56.400 -0.115 0.000 1.265 158 E CB -0.880 28.735 29.700 -0.142 0.000 2.052 158 E HN 0.179 nan 8.360 nan 0.000 0.541 159 G N 0.755 109.434 108.800 -0.202 0.000 3.107 159 G HA2 -0.039 3.921 3.960 0.000 0.000 0.155 159 G HA3 -0.039 3.921 3.960 0.000 0.000 0.155 159 G C 0.080 174.872 174.900 -0.180 0.000 1.875 159 G CA 0.398 45.363 45.100 -0.224 0.000 1.004 159 G HN 0.518 nan 8.290 nan 0.000 0.480 160 H N -0.220 118.833 119.070 -0.029 0.000 2.505 160 H HA 0.435 4.991 4.556 0.000 0.000 0.260 160 H C -0.111 175.367 175.328 0.249 0.000 1.168 160 H CA -0.422 55.665 56.048 0.066 0.000 0.945 160 H CB -0.211 29.575 29.762 0.039 0.000 1.800 160 H HN 0.152 nan 8.280 nan 0.000 0.586 161 K N 1.639 122.012 120.400 -0.044 0.000 2.270 161 K HA 0.431 4.751 4.320 0.000 0.000 0.276 161 K C -0.415 176.177 176.600 -0.013 0.000 1.023 161 K CA -0.323 55.874 56.287 -0.150 0.000 0.955 161 K CB 1.389 33.531 32.500 -0.598 0.000 0.975 161 K HN 0.187 nan 8.250 nan 0.000 0.471 162 L N 1.957 123.217 121.223 0.061 0.000 2.365 162 L HA 0.581 4.921 4.340 0.000 0.000 0.273 162 L C -0.790 176.261 176.870 0.301 0.000 1.000 162 L CA -0.849 54.012 54.840 0.036 0.000 0.819 162 L CB 2.066 44.002 42.059 -0.205 0.000 1.284 162 L HN 0.666 nan 8.230 nan 0.000 0.418 163 A N 3.136 126.149 122.820 0.322 0.000 2.343 163 A HA 0.809 5.130 4.320 0.000 0.000 0.308 163 A C -1.583 176.042 177.584 0.069 0.000 1.092 163 A CA -0.387 51.762 52.037 0.186 0.000 0.751 163 A CB 1.146 20.209 19.000 0.105 0.000 1.203 163 A HN 0.655 nan 8.150 nan 0.000 0.452 164 Y N -0.115 120.143 120.300 -0.069 0.000 2.544 164 Y HA 0.724 5.274 4.550 0.000 0.000 0.342 164 Y C -1.281 174.640 175.900 0.035 0.000 1.062 164 Y CA -1.482 56.544 58.100 -0.123 0.000 1.023 164 Y CB 0.968 39.276 38.460 -0.254 0.000 1.308 164 Y HN 0.395 nan 8.280 nan 0.000 0.457 165 V N 3.087 123.118 119.914 0.194 0.000 2.472 165 V HA 0.406 4.526 4.120 0.000 0.000 0.290 165 V C -1.289 175.020 176.094 0.359 0.000 1.037 165 V CA -0.490 61.910 62.300 0.167 0.000 0.908 165 V CB 1.348 33.185 31.823 0.023 0.000 0.985 165 V HN 0.891 nan 8.190 nan 0.000 0.454 166 W N 5.418 126.819 121.300 0.169 0.000 3.405 166 W HA 0.523 5.183 4.660 0.000 0.000 0.329 166 W C 0.049 176.638 176.519 0.117 0.000 1.142 166 W CA -1.018 56.403 57.345 0.126 0.000 1.235 166 W CB 1.169 30.692 29.460 0.104 0.000 1.341 166 W HN 0.526 nan 8.180 nan 0.000 0.481 167 K N 5.038 125.039 120.400 -0.665 0.000 3.129 167 K HA -0.303 4.017 4.320 0.000 0.000 0.273 167 K C 0.265 176.681 176.600 -0.307 0.000 1.123 167 K CA 1.446 57.342 56.287 -0.652 0.000 0.800 167 K CB -1.718 30.180 32.500 -1.004 0.000 1.238 167 K HN 0.911 nan 8.250 nan 0.000 0.492 168 N N -0.248 118.329 118.700 -0.205 0.000 2.828 168 N HA -0.160 4.580 4.740 0.000 0.000 0.248 168 N C -0.810 174.621 175.510 -0.132 0.000 1.044 168 N CA 1.758 54.707 53.050 -0.170 0.000 0.851 168 N CB -0.386 37.944 38.487 -0.262 0.000 1.136 168 N HN 0.465 nan 8.380 nan 0.000 0.572 169 D N -0.053 120.298 120.400 -0.082 0.000 2.481 169 D HA 0.441 5.081 4.640 0.000 0.000 0.244 169 D C 0.422 176.591 176.300 -0.219 0.000 1.057 169 D CA -0.459 53.431 54.000 -0.183 0.000 0.848 169 D CB 1.378 42.050 40.800 -0.213 0.000 1.388 169 D HN 0.013 nan 8.370 nan 0.000 0.475 170 I N 1.957 122.251 120.570 -0.461 0.000 2.428 170 I HA 0.194 4.364 4.170 0.000 0.000 0.289 170 I C -0.651 175.055 176.117 -0.686 0.000 1.019 170 I CA -0.294 60.718 61.300 -0.481 0.000 1.351 170 I CB 0.452 38.085 38.000 -0.611 0.000 1.412 170 I HN 0.170 nan 8.210 nan 0.000 0.513 171 Y N 4.132 124.080 120.300 -0.586 0.000 2.477 171 Y HA 0.597 5.147 4.550 0.000 0.000 0.347 171 Y C -0.283 175.310 175.900 -0.510 0.000 0.981 171 Y CA -0.873 56.849 58.100 -0.631 0.000 1.033 171 Y CB 2.030 39.859 38.460 -1.051 0.000 1.245 171 Y HN 0.130 nan 8.280 nan 0.000 0.455 172 V N 3.245 123.125 119.914 -0.057 0.000 2.680 172 V HA 0.518 4.638 4.120 0.000 0.000 0.309 172 V C -0.835 175.374 176.094 0.193 0.000 1.052 172 V CA -1.349 61.004 62.300 0.088 0.000 0.908 172 V CB 2.125 34.013 31.823 0.107 0.000 1.001 172 V HN 0.609 nan 8.190 nan 0.000 0.431 173 K N 4.293 124.817 120.400 0.206 0.000 2.616 173 K HA 0.382 4.702 4.320 0.000 0.000 0.241 173 K C 0.190 176.876 176.600 0.144 0.000 0.961 173 K CA -0.544 55.850 56.287 0.179 0.000 0.942 173 K CB 1.967 34.536 32.500 0.114 0.000 1.153 173 K HN 0.436 nan 8.250 nan 0.000 0.452 174 I N 1.241 121.900 120.570 0.149 0.000 2.399 174 I HA -0.277 3.893 4.170 0.000 0.000 0.254 174 I C 0.744 176.906 176.117 0.076 0.000 1.146 174 I CA 1.428 62.777 61.300 0.081 0.000 1.412 174 I CB -0.311 37.728 38.000 0.064 0.000 1.076 174 I HN 0.649 nan 8.210 nan 0.000 0.432 175 E N -1.512 118.756 120.200 0.112 0.000 2.363 175 E HA 0.294 4.644 4.350 0.000 0.000 0.281 175 E C -2.388 174.209 176.600 -0.005 0.000 0.953 175 E CA -1.617 54.873 56.400 0.151 0.000 0.778 175 E CB 1.414 31.256 29.700 0.237 0.000 1.220 175 E HN -0.298 nan 8.360 nan 0.000 0.431 176 P HA -0.252 nan 4.420 nan 0.000 0.220 176 P C 0.591 177.708 177.300 -0.305 0.000 1.155 176 P CA 1.643 64.510 63.100 -0.388 0.000 0.880 176 P CB 0.028 31.203 31.700 -0.876 0.000 0.790 177 H N -1.830 117.193 119.070 -0.078 0.000 2.482 177 H HA 0.110 4.666 4.556 0.000 0.000 0.286 177 H C 1.170 176.490 175.328 -0.014 0.000 1.017 177 H CA 0.383 56.416 56.048 -0.026 0.000 1.322 177 H CB -0.463 29.302 29.762 0.006 0.000 1.426 177 H HN 0.175 nan 8.280 nan 0.000 0.546 178 L N 2.855 124.143 121.223 0.109 0.000 2.464 178 L HA 0.118 4.458 4.340 0.000 0.000 0.264 178 L C -1.756 175.135 176.870 0.035 0.000 1.199 178 L CA -1.758 53.131 54.840 0.081 0.000 0.818 178 L CB 0.084 42.209 42.059 0.110 0.000 1.102 178 L HN -0.004 nan 8.230 nan 0.000 0.473 179 P HA 0.004 nan 4.420 nan 0.000 0.275 179 P C -0.667 176.573 177.300 -0.100 0.000 1.228 179 P CA -0.340 62.721 63.100 -0.065 0.000 0.786 179 P CB 1.131 32.768 31.700 -0.104 0.000 0.927 180 S N 1.652 117.303 115.700 -0.081 0.000 2.510 180 S HA 0.094 4.564 4.470 0.000 0.000 0.279 180 S C -0.106 174.436 174.600 -0.096 0.000 1.284 180 S CA -0.270 57.930 58.200 -0.001 0.000 1.059 180 S CB -0.657 62.578 63.200 0.057 0.000 0.901 180 S HN 0.318 nan 8.310 nan 0.000 0.491 181 H N 4.227 123.348 119.070 0.086 0.000 2.556 181 H HA 0.212 4.768 4.556 0.000 0.000 0.310 181 H C 0.346 175.667 175.328 -0.011 0.000 1.057 181 H CA -0.410 55.663 56.048 0.042 0.000 1.264 181 H CB 0.720 30.488 29.762 0.012 0.000 1.404 181 H HN 0.567 nan 8.280 nan 0.000 0.462 182 R N 3.862 124.380 120.500 0.030 0.000 2.316 182 R HA 0.062 4.402 4.340 0.000 0.000 0.314 182 R C 0.631 176.757 176.300 -0.291 0.000 1.069 182 R CA -0.309 55.613 56.100 -0.296 0.000 0.959 182 R CB 0.240 30.399 30.300 -0.236 0.000 0.987 182 R HN 0.532 nan 8.270 nan 0.000 0.446 183 I N 2.433 122.740 120.570 -0.438 0.000 2.731 183 I HA -0.021 4.149 4.170 0.000 0.000 0.260 183 I C 1.120 177.019 176.117 -0.364 0.000 1.138 183 I CA 0.934 62.027 61.300 -0.345 0.000 1.461 183 I CB -0.636 37.125 38.000 -0.398 0.000 1.128 183 I HN 0.688 nan 8.210 nan 0.000 0.438 184 T N -1.955 112.325 114.554 -0.458 0.000 2.887 184 T HA 0.545 4.895 4.350 0.000 0.000 0.292 184 T C 0.377 174.893 174.700 -0.306 0.000 1.087 184 T CA 0.075 61.958 62.100 -0.361 0.000 1.009 184 T CB 2.404 71.038 68.868 -0.391 0.000 1.203 184 T HN 0.099 nan 8.240 nan 0.000 0.518 185 S N -1.714 113.863 115.700 -0.206 0.000 2.800 185 S HA 0.082 4.552 4.470 0.000 0.000 0.266 185 S C 1.576 176.113 174.600 -0.104 0.000 1.029 185 S CA 0.458 58.571 58.200 -0.144 0.000 1.302 185 S CB -0.596 62.541 63.200 -0.106 0.000 1.212 185 S HN 1.032 nan 8.310 nan 0.000 0.683 186 T N 0.243 114.735 114.554 -0.104 0.000 3.072 186 T HA 0.246 4.596 4.350 0.000 0.000 0.266 186 T C 1.217 175.880 174.700 -0.062 0.000 1.127 186 T CA 0.538 62.600 62.100 -0.064 0.000 1.107 186 T CB -0.914 67.927 68.868 -0.044 0.000 0.910 186 T HN 0.596 nan 8.240 nan 0.000 0.513 187 G N 1.153 109.895 108.800 -0.096 0.000 2.287 187 G HA2 0.321 4.281 3.960 0.000 0.000 0.235 187 G HA3 0.321 4.281 3.960 0.000 0.000 0.235 187 G C -0.567 174.258 174.900 -0.124 0.000 1.258 187 G CA -0.407 44.623 45.100 -0.117 0.000 0.884 187 G HN 0.653 nan 8.290 nan 0.000 0.518 188 K N 1.776 122.081 120.400 -0.158 0.000 2.575 188 K HA 0.151 4.471 4.320 0.000 0.000 0.255 188 K C -0.241 176.231 176.600 -0.214 0.000 0.953 188 K CA -0.691 55.511 56.287 -0.142 0.000 0.840 188 K CB 1.458 33.920 32.500 -0.063 0.000 1.303 188 K HN 0.672 nan 8.250 nan 0.000 0.438 189 E N 3.683 123.765 120.200 -0.197 0.000 2.608 189 E HA -0.151 4.199 4.350 0.000 0.000 0.259 189 E C -0.358 176.183 176.600 -0.098 0.000 0.951 189 E CA 0.670 56.943 56.400 -0.212 0.000 0.945 189 E CB 0.195 29.818 29.700 -0.128 0.000 0.916 189 E HN 0.678 nan 8.360 nan 0.000 0.477 190 N N 1.951 120.564 118.700 -0.145 0.000 2.708 190 N HA -0.204 4.536 4.740 0.000 0.000 0.251 190 N C -0.127 175.579 175.510 0.326 0.000 1.123 190 N CA 1.100 54.285 53.050 0.226 0.000 0.739 190 N CB -1.074 37.594 38.487 0.301 0.000 1.113 190 N HN 0.344 nan 8.380 nan 0.000 0.561 191 V N -1.644 118.361 119.914 0.151 0.000 3.629 191 V HA 0.272 4.392 4.120 0.000 0.000 0.194 191 V C 0.373 176.627 176.094 0.266 0.000 1.343 191 V CA 0.303 62.737 62.300 0.223 0.000 1.292 191 V CB 0.695 32.591 31.823 0.122 0.000 1.287 191 V HN 0.028 nan 8.190 nan 0.000 0.554 192 I N 1.602 122.215 120.570 0.072 0.000 2.382 192 I HA 0.487 4.657 4.170 0.000 0.000 0.286 192 I C -1.396 174.731 176.117 0.016 0.000 1.002 192 I CA -0.373 61.016 61.300 0.147 0.000 1.135 192 I CB 0.977 39.019 38.000 0.071 0.000 1.288 192 I HN 0.103 nan 8.210 nan 0.000 0.448 193 F N 4.952 125.005 119.950 0.172 0.000 2.411 193 F HA 0.420 4.947 4.527 0.000 0.000 0.352 193 F C 0.663 176.553 175.800 0.151 0.000 1.123 193 F CA -0.650 57.457 58.000 0.178 0.000 1.044 193 F CB 0.979 40.150 39.000 0.285 0.000 1.135 193 F HN 0.315 nan 8.300 nan 0.000 0.461 194 N N 2.373 121.163 118.700 0.151 0.000 2.558 194 N HA 0.380 5.120 4.740 0.000 0.000 0.242 194 N C 0.814 176.291 175.510 -0.056 0.000 0.979 194 N CA 0.232 53.301 53.050 0.031 0.000 0.931 194 N CB 1.704 40.108 38.487 -0.139 0.000 1.122 194 N HN 0.892 nan 8.380 nan 0.000 0.508 195 G N 1.573 110.376 108.800 0.006 0.000 2.176 195 G HA2 -0.238 3.722 3.960 0.000 0.000 0.253 195 G HA3 -0.238 3.722 3.960 0.000 0.000 0.253 195 G C 0.104 174.884 174.900 -0.201 0.000 0.979 195 G CA 0.545 45.569 45.100 -0.126 0.000 0.641 195 G HN 0.618 nan 8.290 nan 0.000 0.530 196 I N -3.258 117.269 120.570 -0.072 0.000 2.969 196 I HA 0.661 4.831 4.170 0.000 0.000 0.307 196 I C -0.678 175.485 176.117 0.077 0.000 1.149 196 I CA -1.595 59.568 61.300 -0.230 0.000 1.008 196 I CB 1.743 39.454 38.000 -0.481 0.000 1.232 196 I HN -0.131 nan 8.210 nan 0.000 0.435 197 N N 2.891 121.587 118.700 -0.006 0.000 2.509 197 N HA 0.191 4.931 4.740 0.000 0.000 0.287 197 N C -0.948 174.362 175.510 -0.334 0.000 1.121 197 N CA -0.342 52.539 53.050 -0.281 0.000 0.977 197 N CB 1.202 39.623 38.487 -0.111 0.000 1.167 197 N HN 0.769 nan 8.380 nan 0.000 0.476 198 D N -0.318 119.548 120.400 -0.890 0.000 2.414 198 D HA -0.069 4.571 4.640 0.000 0.000 0.251 198 D C 1.121 177.272 176.300 -0.248 0.000 1.252 198 D CA -0.447 52.957 54.000 -0.993 0.000 0.999 198 D CB 0.733 40.885 40.800 -1.079 0.000 1.093 198 D HN 0.516 nan 8.370 nan 0.000 0.515 199 W N 0.630 121.807 121.300 -0.206 0.000 2.315 199 W HA -0.258 4.402 4.660 0.000 0.000 0.323 199 W C 2.295 178.695 176.519 -0.199 0.000 1.233 199 W CA 2.485 59.724 57.345 -0.176 0.000 1.267 199 W CB -0.585 28.719 29.460 -0.260 0.000 1.160 199 W HN 0.225 nan 8.180 nan 0.000 0.474 200 V N -0.128 119.881 119.914 0.159 0.000 2.490 200 V HA -0.309 3.811 4.120 0.000 0.000 0.250 200 V C 1.888 177.832 176.094 -0.251 0.000 1.061 200 V CA 2.112 64.387 62.300 -0.042 0.000 1.064 200 V CB -0.750 31.059 31.823 -0.022 0.000 0.670 200 V HN 0.323 nan 8.190 nan 0.000 0.461 201 Y N 0.330 120.458 120.300 -0.285 0.000 2.220 201 Y HA -0.127 4.423 4.550 0.000 0.000 0.291 201 Y C 2.661 178.449 175.900 -0.186 0.000 1.129 201 Y CA 2.042 59.982 58.100 -0.266 0.000 1.161 201 Y CB -0.100 38.108 38.460 -0.421 0.000 0.997 201 Y HN 0.294 nan 8.280 nan 0.000 0.522 202 E N 0.358 120.518 120.200 -0.066 0.000 2.153 202 E HA -0.256 4.094 4.350 0.000 0.000 0.194 202 E C 1.702 178.234 176.600 -0.114 0.000 0.988 202 E CA 1.491 57.869 56.400 -0.037 0.000 0.811 202 E CB 0.182 29.858 29.700 -0.041 0.000 0.746 202 E HN 0.472 nan 8.360 nan 0.000 0.466 203 E N 0.109 120.079 120.200 -0.384 0.000 2.099 203 E HA -0.068 4.282 4.350 0.000 0.000 0.191 203 E C 1.663 178.098 176.600 -0.275 0.000 0.962 203 E CA 0.974 57.118 56.400 -0.427 0.000 0.826 203 E CB 0.196 29.295 29.700 -1.001 0.000 0.788 203 E HN 0.090 nan 8.360 nan 0.000 0.461 204 E N -0.210 119.806 120.200 -0.306 0.000 2.340 204 E HA 0.085 4.435 4.350 0.000 0.000 0.198 204 E C 1.698 178.117 176.600 -0.302 0.000 0.961 204 E CA 0.189 56.435 56.400 -0.257 0.000 0.905 204 E CB 0.511 30.061 29.700 -0.249 0.000 0.884 204 E HN 0.303 nan 8.360 nan 0.000 0.491 205 I N -0.021 120.319 120.570 -0.383 0.000 3.313 205 I HA 0.074 4.244 4.170 0.000 0.000 0.233 205 I C 1.025 176.915 176.117 -0.378 0.000 1.050 205 I CA 0.425 61.422 61.300 -0.504 0.000 1.499 205 I CB -1.052 36.478 38.000 -0.783 0.000 1.373 205 I HN -0.131 nan 8.210 nan 0.000 0.458 206 F N 0.647 120.592 119.950 -0.009 0.000 2.371 206 F HA 0.412 4.939 4.527 0.000 0.000 0.329 206 F C 1.605 177.358 175.800 -0.079 0.000 1.107 206 F CA -0.355 57.655 58.000 0.016 0.000 1.137 206 F CB 0.724 39.776 39.000 0.086 0.000 1.214 206 F HN 0.051 nan 8.300 nan 0.000 0.536 207 G N 0.550 109.395 108.800 0.074 0.000 2.920 207 G HA2 0.426 4.386 3.960 0.000 0.000 0.208 207 G HA3 0.426 4.386 3.960 0.000 0.000 0.208 207 G C 0.117 174.689 174.900 -0.546 0.000 1.159 207 G CA 0.618 45.608 45.100 -0.184 0.000 0.784 207 G HN 0.772 nan 8.290 nan 0.000 0.535 208 A N -1.188 121.495 122.820 -0.228 0.000 2.525 208 A HA 0.613 4.933 4.320 0.000 0.000 0.291 208 A C 0.213 177.775 177.584 -0.036 0.000 1.268 208 A CA -0.579 51.324 52.037 -0.222 0.000 0.712 208 A CB 0.203 19.075 19.000 -0.214 0.000 1.320 208 A HN -0.022 nan 8.150 nan 0.000 0.456 209 Y N 0.733 120.883 120.300 -0.249 0.000 2.420 209 Y HA 0.165 4.715 4.550 0.000 0.000 0.292 209 Y C 1.572 177.147 175.900 -0.542 0.000 1.119 209 Y CA 0.857 58.789 58.100 -0.280 0.000 1.229 209 Y CB -0.258 38.078 38.460 -0.208 0.000 1.026 209 Y HN 0.520 nan 8.280 nan 0.000 0.554 210 S N 0.281 115.434 115.700 -0.911 0.000 2.562 210 S HA 0.427 4.897 4.470 0.000 0.000 0.281 210 S C 0.444 174.498 174.600 -0.911 0.000 1.333 210 S CA 0.264 57.688 58.200 -1.294 0.000 1.052 210 S CB 0.493 62.686 63.200 -1.679 0.000 0.884 210 S HN 0.414 nan 8.310 nan 0.000 0.506 211 A N 5.332 127.615 122.820 -0.895 0.000 2.585 211 A HA 0.467 4.787 4.320 0.000 0.000 0.281 211 A C -0.388 176.502 177.584 -1.156 0.000 0.945 211 A CA -0.450 51.027 52.037 -0.933 0.000 1.031 211 A CB 0.045 18.922 19.000 -0.205 0.000 1.221 211 A HN 0.683 nan 8.150 nan 0.000 0.496 212 L N -0.169 120.296 121.223 -1.263 0.000 2.333 212 L HA 0.661 5.001 4.340 0.000 0.000 0.269 212 L C -0.959 175.356 176.870 -0.925 0.000 1.010 212 L CA -0.735 53.650 54.840 -0.757 0.000 0.818 212 L CB 1.830 43.699 42.059 -0.316 0.000 1.306 212 L HN 0.401 nan 8.230 nan 0.000 0.430 213 W N 1.549 122.895 121.300 0.076 0.000 2.822 213 W HA 0.177 4.837 4.660 0.000 0.000 0.317 213 W C -1.356 175.396 176.519 0.388 0.000 1.033 213 W CA -1.071 56.448 57.345 0.289 0.000 1.252 213 W CB 0.956 30.629 29.460 0.355 0.000 1.186 213 W HN 0.497 nan 8.180 nan 0.000 0.383 214 W N 2.630 124.146 121.300 0.361 0.000 2.190 214 W HA 0.253 4.913 4.660 0.000 0.000 0.330 214 W C 1.316 177.646 176.519 -0.315 0.000 1.299 214 W CA 0.524 57.929 57.345 0.100 0.000 1.215 214 W CB 0.878 30.370 29.460 0.053 0.000 1.147 214 W HN 0.153 nan 8.180 nan 0.000 0.563 215 S N 3.255 118.653 115.700 -0.503 0.000 2.632 215 S HA 0.512 4.982 4.470 0.000 0.000 0.267 215 S C -2.470 171.860 174.600 -0.451 0.000 1.276 215 S CA -1.558 55.754 58.200 -1.480 0.000 0.998 215 S CB 1.099 63.297 63.200 -1.669 0.000 0.953 215 S HN 0.139 nan 8.310 nan 0.000 0.547 216 P HA 0.287 nan 4.420 nan 0.000 0.272 216 P C -0.007 177.242 177.300 -0.086 0.000 1.223 216 P CA -0.003 63.049 63.100 -0.080 0.000 0.784 216 P CB 0.128 31.834 31.700 0.010 0.000 0.923 217 N N 0.670 119.331 118.700 -0.065 0.000 2.936 217 N HA -0.184 4.556 4.740 0.000 0.000 0.236 217 N C 0.866 176.311 175.510 -0.108 0.000 0.930 217 N CA 1.515 54.521 53.050 -0.074 0.000 0.966 217 N CB -1.998 36.462 38.487 -0.045 0.000 1.090 217 N HN 0.861 nan 8.380 nan 0.000 0.592 218 G N -0.415 108.323 108.800 -0.103 0.000 2.361 218 G HA2 -0.398 3.562 3.960 0.000 0.000 0.294 218 G HA3 -0.398 3.562 3.960 0.000 0.000 0.294 218 G C 1.015 175.927 174.900 0.020 0.000 1.004 218 G CA 1.688 46.765 45.100 -0.038 0.000 0.870 218 G HN 0.497 nan 8.290 nan 0.000 0.510 219 T N -0.601 113.883 114.554 -0.116 0.000 2.735 219 T HA 0.220 4.570 4.350 0.000 0.000 0.256 219 T C 1.019 175.526 174.700 -0.322 0.000 1.042 219 T CA 1.138 63.038 62.100 -0.332 0.000 1.147 219 T CB -0.045 68.419 68.868 -0.674 0.000 0.865 219 T HN 0.322 nan 8.240 nan 0.000 0.421 220 F N 0.387 120.363 119.950 0.044 0.000 2.408 220 F HA 0.641 5.168 4.527 0.000 0.000 0.325 220 F C -0.212 175.621 175.800 0.055 0.000 1.082 220 F CA -1.409 56.643 58.000 0.088 0.000 1.032 220 F CB 0.888 40.013 39.000 0.209 0.000 1.259 220 F HN -0.086 nan 8.300 nan 0.000 0.503 221 L N 2.023 123.371 121.223 0.209 0.000 2.446 221 L HA 0.765 5.105 4.340 0.000 0.000 0.268 221 L C -0.750 176.200 176.870 0.132 0.000 0.975 221 L CA -0.579 54.193 54.840 -0.115 0.000 0.848 221 L CB 0.761 42.444 42.059 -0.627 0.000 1.225 221 L HN 0.675 nan 8.230 nan 0.000 0.410 222 A N 4.399 127.393 122.820 0.289 0.000 2.279 222 A HA 0.848 5.168 4.320 0.000 0.000 0.303 222 A C -1.312 176.340 177.584 0.113 0.000 1.108 222 A CA -0.097 51.979 52.037 0.065 0.000 0.830 222 A CB 0.660 19.735 19.000 0.124 0.000 1.106 222 A HN 1.049 nan 8.150 nan 0.000 0.493 223 Y N -2.641 117.430 120.300 -0.382 0.000 2.677 223 Y HA 0.714 5.264 4.550 0.000 0.000 0.334 223 Y C -0.480 175.230 175.900 -0.316 0.000 1.196 223 Y CA -0.847 57.136 58.100 -0.195 0.000 1.059 223 Y CB 0.681 39.023 38.460 -0.198 0.000 1.315 223 Y HN 1.009 nan 8.280 nan 0.000 0.455 224 A N 1.821 124.705 122.820 0.107 0.000 2.337 224 A HA 0.742 5.062 4.320 0.000 0.000 0.331 224 A C -1.314 176.183 177.584 -0.145 0.000 1.137 224 A CA -0.840 51.123 52.037 -0.123 0.000 0.807 224 A CB 1.921 20.866 19.000 -0.093 0.000 1.250 224 A HN 0.811 nan 8.150 nan 0.000 0.468 225 Q N 0.987 120.564 119.800 -0.371 0.000 2.304 225 Q HA 0.608 4.948 4.340 0.000 0.000 0.270 225 Q C -2.127 173.621 176.000 -0.421 0.000 1.035 225 Q CA -0.355 55.363 55.803 -0.142 0.000 0.781 225 Q CB 1.196 30.078 28.738 0.240 0.000 1.261 225 Q HN 0.603 nan 8.270 nan 0.000 0.444 226 F N 1.995 122.038 119.950 0.154 0.000 2.480 226 F HA 0.444 4.971 4.527 0.000 0.000 0.329 226 F C 0.383 176.310 175.800 0.212 0.000 1.091 226 F CA -0.973 57.082 58.000 0.092 0.000 0.972 226 F CB 1.426 40.375 39.000 -0.085 0.000 1.150 226 F HN 0.413 nan 8.300 nan 0.000 0.467 227 N N 1.771 120.663 118.700 0.320 0.000 2.476 227 N HA 0.179 4.919 4.740 0.000 0.000 0.257 227 N C -0.641 175.027 175.510 0.263 0.000 0.970 227 N CA -0.211 53.001 53.050 0.270 0.000 0.938 227 N CB 1.011 39.603 38.487 0.175 0.000 1.144 227 N HN 0.558 nan 8.380 nan 0.000 0.500 228 D N 1.719 122.305 120.400 0.310 0.000 2.358 228 D HA 0.104 4.744 4.640 0.000 0.000 0.224 228 D C 1.154 177.579 176.300 0.209 0.000 1.123 228 D CA 0.216 54.375 54.000 0.266 0.000 0.833 228 D CB 0.447 41.463 40.800 0.361 0.000 0.946 228 D HN 0.490 nan 8.370 nan 0.000 0.505 229 T N -0.668 113.991 114.554 0.174 0.000 2.597 229 T HA -0.167 4.183 4.350 0.000 0.000 0.267 229 T C 1.897 176.656 174.700 0.099 0.000 1.053 229 T CA 1.749 63.925 62.100 0.127 0.000 1.165 229 T CB -0.346 68.582 68.868 0.100 0.000 0.863 229 T HN 0.331 nan 8.240 nan 0.000 0.427 230 G N 0.824 109.676 108.800 0.087 0.000 2.744 230 G HA2 0.168 4.129 3.960 0.000 0.000 0.211 230 G HA3 0.168 4.129 3.960 0.000 0.000 0.211 230 G C 0.471 175.415 174.900 0.073 0.000 1.143 230 G CA -0.150 44.989 45.100 0.066 0.000 0.788 230 G HN 0.430 nan 8.290 nan 0.000 0.534 231 V N 2.371 122.345 119.914 0.099 0.000 2.529 231 V HA 0.120 4.240 4.120 0.000 0.000 0.292 231 V C -1.588 174.569 176.094 0.104 0.000 1.028 231 V CA -1.267 61.096 62.300 0.105 0.000 1.074 231 V CB 1.034 32.935 31.823 0.130 0.000 0.958 231 V HN 0.089 nan 8.190 nan 0.000 0.481 232 P HA 0.227 nan 4.420 nan 0.000 0.271 232 P C -0.566 176.791 177.300 0.095 0.000 1.233 232 P CA -0.142 63.003 63.100 0.076 0.000 0.789 232 P CB 0.514 32.256 31.700 0.070 0.000 0.951 233 L N 1.453 122.715 121.223 0.064 0.000 2.334 233 L HA 0.596 4.936 4.340 0.000 0.000 0.273 233 L C 0.250 177.113 176.870 -0.012 0.000 1.013 233 L CA -1.039 53.847 54.840 0.075 0.000 0.816 233 L CB 1.193 43.313 42.059 0.102 0.000 1.278 233 L HN 0.303 nan 8.230 nan 0.000 0.431 234 I N -1.201 119.322 120.570 -0.079 0.000 2.493 234 I HA 0.551 4.721 4.170 0.000 0.000 0.298 234 I C -0.774 175.243 176.117 -0.168 0.000 0.998 234 I CA -0.393 60.754 61.300 -0.256 0.000 1.137 234 I CB 1.939 39.547 38.000 -0.653 0.000 1.310 234 I HN 0.529 nan 8.210 nan 0.000 0.445 235 E N 5.251 125.358 120.200 -0.155 0.000 2.409 235 E HA 0.253 4.603 4.350 0.000 0.000 0.259 235 E C -1.758 174.788 176.600 -0.090 0.000 0.932 235 E CA -0.639 55.691 56.400 -0.115 0.000 0.809 235 E CB 1.611 31.288 29.700 -0.039 0.000 1.341 235 E HN 0.677 nan 8.360 nan 0.000 0.405 236 Y N -0.346 119.896 120.300 -0.097 0.000 2.453 236 Y HA 0.661 5.211 4.550 0.000 0.000 0.326 236 Y C 0.102 175.960 175.900 -0.069 0.000 1.186 236 Y CA -1.061 56.984 58.100 -0.093 0.000 1.200 236 Y CB 0.856 39.267 38.460 -0.082 0.000 1.247 236 Y HN 0.025 nan 8.280 nan 0.000 0.482 237 S N 1.840 117.605 115.700 0.109 0.000 2.616 237 S HA 0.493 4.963 4.470 0.000 0.000 0.277 237 S C -1.526 173.027 174.600 -0.079 0.000 1.234 237 S CA -0.489 57.645 58.200 -0.109 0.000 1.028 237 S CB 0.442 63.437 63.200 -0.342 0.000 0.988 237 S HN 0.567 nan 8.310 nan 0.000 0.522 238 F N 1.855 121.585 119.950 -0.367 0.000 2.507 238 F HA 0.436 4.963 4.527 0.000 0.000 0.328 238 F C -0.427 175.136 175.800 -0.396 0.000 1.136 238 F CA -0.852 57.004 58.000 -0.241 0.000 0.930 238 F CB 0.879 39.874 39.000 -0.009 0.000 1.166 238 F HN 0.659 nan 8.300 nan 0.000 0.436 239 Y N 2.638 122.713 120.300 -0.376 0.000 2.490 239 Y HA 0.139 4.689 4.550 0.000 0.000 0.285 239 Y C 1.703 177.504 175.900 -0.165 0.000 1.117 239 Y CA 0.944 58.919 58.100 -0.208 0.000 1.262 239 Y CB -0.620 37.720 38.460 -0.199 0.000 1.043 239 Y HN 0.722 nan 8.280 nan 0.000 0.553 240 S N -0.016 115.531 115.700 -0.255 0.000 3.160 240 S HA -0.236 4.234 4.470 0.000 0.000 0.634 240 S C -0.323 174.311 174.600 0.055 0.000 2.861 240 S CA 0.415 58.641 58.200 0.043 0.000 3.097 240 S CB -1.098 62.266 63.200 0.273 0.000 0.331 240 S HN 0.490 nan 8.310 nan 0.000 1.767 241 D N 1.965 122.423 120.400 0.096 0.000 2.406 241 D HA 0.086 4.726 4.640 0.000 0.000 0.234 241 D C 1.457 177.791 176.300 0.056 0.000 1.196 241 D CA 0.741 54.782 54.000 0.069 0.000 0.881 241 D CB 0.091 40.935 40.800 0.073 0.000 1.205 241 D HN 0.738 nan 8.370 nan 0.000 0.453 242 E N -0.791 119.432 120.200 0.038 0.000 2.516 242 E HA -0.109 4.241 4.350 0.000 0.000 0.199 242 E C 0.909 177.527 176.600 0.030 0.000 1.069 242 E CA 0.424 56.840 56.400 0.027 0.000 0.876 242 E CB -0.052 29.654 29.700 0.011 0.000 0.843 242 E HN 0.287 nan 8.360 nan 0.000 0.530 243 S N 0.384 116.109 115.700 0.041 0.000 2.501 243 S HA 0.017 4.487 4.470 0.000 0.000 0.220 243 S C 0.782 175.414 174.600 0.054 0.000 0.997 243 S CA -0.417 57.808 58.200 0.042 0.000 0.919 243 S CB -0.146 63.080 63.200 0.043 0.000 0.778 243 S HN 0.260 nan 8.310 nan 0.000 0.523 244 L N 2.892 124.156 121.223 0.068 0.000 2.369 244 L HA 0.302 4.642 4.340 0.000 0.000 0.279 244 L C 1.394 178.309 176.870 0.076 0.000 1.108 244 L CA 0.132 55.026 54.840 0.090 0.000 0.852 244 L CB 0.589 42.715 42.059 0.111 0.000 1.169 244 L HN 0.245 nan 8.230 nan 0.000 0.452 245 Q N 3.927 123.779 119.800 0.087 0.000 2.079 245 Q HA -0.093 4.247 4.340 0.000 0.000 0.200 245 Q C -0.561 175.384 176.000 -0.091 0.000 0.974 245 Q CA 1.361 57.169 55.803 0.007 0.000 0.840 245 Q CB 0.143 28.914 28.738 0.054 0.000 0.898 245 Q HN 0.671 nan 8.270 nan 0.000 0.430 246 Y N 1.164 121.485 120.300 0.035 0.000 2.328 246 Y HA 0.388 4.938 4.550 0.000 0.000 0.336 246 Y C -2.064 173.853 175.900 0.028 0.000 0.960 246 Y CA -3.035 55.083 58.100 0.029 0.000 1.134 246 Y CB 1.320 39.790 38.460 0.018 0.000 1.166 246 Y HN 0.160 nan 8.280 nan 0.000 0.464 247 P HA 0.048 nan 4.420 nan 0.000 0.269 247 P C -0.524 176.796 177.300 0.033 0.000 1.209 247 P CA -0.304 62.815 63.100 0.032 0.000 0.776 247 P CB 1.143 32.772 31.700 -0.118 0.000 0.876 248 K N 1.178 121.601 120.400 0.038 0.000 2.140 248 K HA 0.419 4.739 4.320 0.000 0.000 0.237 248 K C 0.221 176.818 176.600 -0.005 0.000 1.045 248 K CA -0.058 56.257 56.287 0.045 0.000 0.896 248 K CB 0.061 32.607 32.500 0.076 0.000 1.122 248 K HN 0.391 nan 8.250 nan 0.000 0.503 249 T N 0.518 115.069 114.554 -0.005 0.000 2.937 249 T HA 0.299 4.649 4.350 0.000 0.000 0.297 249 T C -0.712 173.949 174.700 -0.064 0.000 0.991 249 T CA -0.670 61.409 62.100 -0.036 0.000 0.990 249 T CB 1.376 70.251 68.868 0.012 0.000 0.991 249 T HN 0.139 nan 8.240 nan 0.000 0.440 250 V N 5.305 125.037 119.914 -0.303 0.000 2.394 250 V HA 0.600 4.720 4.120 0.000 0.000 0.282 250 V C -0.344 175.511 176.094 -0.400 0.000 1.031 250 V CA -0.854 61.159 62.300 -0.478 0.000 0.881 250 V CB 0.845 32.176 31.823 -0.821 0.000 0.982 250 V HN 0.814 nan 8.190 nan 0.000 0.451 251 W N 4.884 126.040 121.300 -0.239 0.000 2.666 251 W HA 0.878 5.538 4.660 0.000 0.000 0.334 251 W C -1.382 175.093 176.519 -0.073 0.000 1.051 251 W CA -1.559 55.680 57.345 -0.177 0.000 1.224 251 W CB 1.207 30.599 29.460 -0.113 0.000 1.405 251 W HN 0.336 nan 8.180 nan 0.000 0.513 252 I N 3.619 124.229 120.570 0.066 0.000 2.571 252 I HA 0.224 4.394 4.170 0.000 0.000 0.289 252 I C -2.271 173.925 176.117 0.132 0.000 1.115 252 I CA -2.419 58.904 61.300 0.039 0.000 1.045 252 I CB 3.044 40.947 38.000 -0.161 0.000 1.238 252 I HN -0.020 nan 8.210 nan 0.000 0.424 253 P HA 0.016 nan 4.420 nan 0.000 0.269 253 P C -1.396 176.002 177.300 0.162 0.000 1.263 253 P CA 0.350 63.584 63.100 0.222 0.000 0.813 253 P CB -0.113 31.757 31.700 0.283 0.000 0.868 254 Y N 7.019 127.293 120.300 -0.042 0.000 2.332 254 Y HA 0.390 4.940 4.550 0.000 0.000 0.326 254 Y C -2.393 173.486 175.900 -0.035 0.000 0.978 254 Y CA -2.767 55.259 58.100 -0.123 0.000 1.205 254 Y CB 2.278 40.566 38.460 -0.288 0.000 1.131 254 Y HN 0.250 nan 8.280 nan 0.000 0.462 255 P HA 0.226 nan 4.420 nan 0.000 0.292 255 P C -1.196 176.110 177.300 0.010 0.000 1.326 255 P CA -0.297 62.814 63.100 0.018 0.000 0.787 255 P CB 1.549 33.251 31.700 0.003 0.000 0.903 256 K N 1.982 122.494 120.400 0.187 0.000 2.102 256 K HA 0.512 4.832 4.320 0.000 0.000 0.244 256 K C 0.551 177.245 176.600 0.155 0.000 1.021 256 K CA -0.744 55.684 56.287 0.234 0.000 0.913 256 K CB 0.550 33.226 32.500 0.294 0.000 1.062 256 K HN 0.456 nan 8.250 nan 0.000 0.485 257 A N 0.701 123.643 122.820 0.204 0.000 2.591 257 A HA 0.220 4.540 4.320 0.000 0.000 0.244 257 A C 1.262 178.890 177.584 0.073 0.000 1.031 257 A CA 1.147 53.293 52.037 0.182 0.000 0.767 257 A CB -1.283 17.910 19.000 0.321 0.000 0.942 257 A HN 0.915 nan 8.150 nan 0.000 0.514 258 G N 1.114 109.942 108.800 0.046 0.000 2.234 258 G HA2 0.073 4.033 3.960 0.000 0.000 0.260 258 G HA3 0.073 4.033 3.960 0.000 0.000 0.260 258 G C 0.782 175.692 174.900 0.016 0.000 0.987 258 G CA 0.898 45.999 45.100 0.003 0.000 0.625 258 G HN 2.285 nan 8.290 nan 0.000 0.532 259 A N -0.159 122.686 122.820 0.041 0.000 2.327 259 A HA 0.661 4.981 4.320 0.000 0.000 0.255 259 A C 0.939 178.544 177.584 0.034 0.000 1.099 259 A CA 0.423 52.486 52.037 0.043 0.000 0.801 259 A CB 0.583 19.624 19.000 0.068 0.000 1.062 259 A HN 1.185 nan 8.150 nan 0.000 0.496 260 V N 2.674 122.608 119.914 0.035 0.000 2.540 260 V HA -0.002 4.118 4.120 0.000 0.000 0.297 260 V C 0.384 176.503 176.094 0.043 0.000 1.024 260 V CA 0.128 62.447 62.300 0.030 0.000 1.105 260 V CB -0.222 31.621 31.823 0.035 0.000 0.938 260 V HN 0.834 nan 8.190 nan 0.000 0.482 261 N N 6.795 125.512 118.700 0.028 0.000 2.476 261 N HA 0.493 5.233 4.740 0.000 0.000 0.275 261 N C -2.296 173.265 175.510 0.086 0.000 1.190 261 N CA -1.400 51.682 53.050 0.054 0.000 0.977 261 N CB 1.176 39.672 38.487 0.015 0.000 1.200 261 N HN 0.379 nan 8.380 nan 0.000 0.515 262 P HA 0.099 nan 4.420 nan 0.000 0.273 262 P C -0.465 176.951 177.300 0.194 0.000 1.250 262 P CA -0.068 63.153 63.100 0.201 0.000 0.793 262 P CB 0.348 32.202 31.700 0.257 0.000 1.011 263 T N -2.548 112.116 114.554 0.183 0.000 2.932 263 T HA 0.654 5.004 4.350 0.000 0.000 0.289 263 T C -0.100 174.679 174.700 0.131 0.000 1.039 263 T CA -0.700 61.464 62.100 0.106 0.000 1.024 263 T CB 1.075 69.979 68.868 0.059 0.000 1.090 263 T HN 0.232 nan 8.240 nan 0.000 0.496 264 V N 0.151 120.102 119.914 0.062 0.000 3.074 264 V HA 0.800 4.920 4.120 0.000 0.000 0.314 264 V C -0.493 175.590 176.094 -0.017 0.000 1.117 264 V CA -1.189 61.092 62.300 -0.032 0.000 1.014 264 V CB 1.887 33.756 31.823 0.077 0.000 1.057 264 V HN 1.016 nan 8.190 nan 0.000 0.438 265 K N 0.970 121.286 120.400 -0.139 0.000 2.557 265 K HA 0.531 4.851 4.320 0.000 0.000 0.261 265 K C -2.117 174.237 176.600 -0.411 0.000 0.932 265 K CA -0.445 55.691 56.287 -0.253 0.000 0.829 265 K CB 2.746 35.060 32.500 -0.310 0.000 1.358 265 K HN 0.567 nan 8.250 nan 0.000 0.430 266 F N 3.290 122.860 119.950 -0.633 0.000 2.458 266 F HA 0.571 5.098 4.527 0.000 0.000 0.336 266 F C -1.245 173.986 175.800 -0.948 0.000 1.114 266 F CA -0.522 57.111 58.000 -0.611 0.000 0.987 266 F CB 0.688 39.517 39.000 -0.285 0.000 1.130 266 F HN 0.369 nan 8.300 nan 0.000 0.458 267 F N 5.489 124.760 119.950 -1.132 0.000 2.593 267 F HA 0.700 5.227 4.527 0.000 0.000 0.320 267 F C -0.648 174.542 175.800 -1.017 0.000 1.060 267 F CA -1.019 56.392 58.000 -0.981 0.000 0.940 267 F CB 1.973 40.262 39.000 -1.184 0.000 1.268 267 F HN 0.089 nan 8.300 nan 0.000 0.475 268 I N 2.499 122.890 120.570 -0.298 0.000 2.512 268 I HA 0.399 4.569 4.170 0.000 0.000 0.287 268 I C -1.412 174.782 176.117 0.129 0.000 1.069 268 I CA -0.837 60.366 61.300 -0.162 0.000 1.056 268 I CB 2.064 39.815 38.000 -0.415 0.000 1.229 268 I HN 0.284 nan 8.210 nan 0.000 0.429 269 V N 6.353 126.399 119.914 0.220 0.000 2.581 269 V HA 0.438 4.558 4.120 0.000 0.000 0.303 269 V C -0.357 175.914 176.094 0.295 0.000 1.041 269 V CA -0.508 61.937 62.300 0.242 0.000 0.907 269 V CB 2.169 34.093 31.823 0.170 0.000 0.994 269 V HN 0.768 nan 8.190 nan 0.000 0.442 270 N N 3.907 122.765 118.700 0.264 0.000 2.402 270 N HA 0.135 4.875 4.740 0.000 0.000 0.252 270 N C 0.879 176.403 175.510 0.023 0.000 1.118 270 N CA 0.377 53.510 53.050 0.139 0.000 0.945 270 N CB 1.580 40.142 38.487 0.125 0.000 1.147 270 N HN 0.788 nan 8.380 nan 0.000 0.495 271 T N 1.964 116.518 114.554 0.000 0.000 2.833 271 T HA -0.094 4.256 4.350 0.000 0.000 0.269 271 T C 0.633 175.312 174.700 -0.034 0.000 1.054 271 T CA 1.017 63.132 62.100 0.025 0.000 1.135 271 T CB 0.046 69.023 68.868 0.182 0.000 0.869 271 T HN 0.536 nan 8.240 nan 0.000 0.466 272 D N 1.191 121.543 120.400 -0.079 0.000 2.351 272 D HA -0.044 4.596 4.640 0.000 0.000 0.216 272 D C 2.231 178.490 176.300 -0.067 0.000 0.968 272 D CA 0.952 54.903 54.000 -0.081 0.000 0.899 272 D CB -0.177 40.558 40.800 -0.107 0.000 0.907 272 D HN 0.554 nan 8.370 nan 0.000 0.514 273 S N -0.266 115.397 115.700 -0.061 0.000 2.492 273 S HA 0.048 4.518 4.470 0.000 0.000 0.218 273 S C 2.138 176.684 174.600 -0.089 0.000 1.016 273 S CA -0.269 57.902 58.200 -0.050 0.000 0.916 273 S CB -0.334 62.858 63.200 -0.013 0.000 0.791 273 S HN 0.163 nan 8.310 nan 0.000 0.513 274 L N 2.630 123.758 121.223 -0.158 0.000 2.149 274 L HA -0.267 4.073 4.340 0.000 0.000 0.223 274 L C 2.941 179.612 176.870 -0.331 0.000 1.089 274 L CA 1.947 56.592 54.840 -0.326 0.000 0.800 274 L CB -1.514 40.181 42.059 -0.607 0.000 0.897 274 L HN 0.632 nan 8.230 nan 0.000 0.443 275 S N -1.231 114.335 115.700 -0.224 0.000 2.481 275 S HA -0.087 4.383 4.470 0.000 0.000 0.231 275 S C 1.740 176.348 174.600 0.014 0.000 0.996 275 S CA 0.823 58.996 58.200 -0.045 0.000 0.942 275 S CB -0.292 62.902 63.200 -0.010 0.000 0.768 275 S HN 0.577 nan 8.310 nan 0.000 0.520 276 S N 0.046 115.741 115.700 -0.008 0.000 2.557 276 S HA 0.348 4.818 4.470 0.000 0.000 0.223 276 S C 0.271 174.883 174.600 0.019 0.000 0.969 276 S CA -0.423 57.783 58.200 0.011 0.000 0.927 276 S CB -0.053 63.150 63.200 0.005 0.000 0.806 276 S HN 0.440 nan 8.310 nan 0.000 0.489 277 T N 0.685 115.253 114.554 0.023 0.000 2.841 277 T HA 0.456 4.806 4.350 0.000 0.000 0.296 277 T C 0.984 175.716 174.700 0.055 0.000 1.166 277 T CA -0.172 61.946 62.100 0.030 0.000 1.007 277 T CB 1.570 70.449 68.868 0.019 0.000 1.253 277 T HN 0.195 nan 8.240 nan 0.000 0.511 278 T N -1.834 112.748 114.554 0.047 0.000 3.031 278 T HA 0.237 4.587 4.350 0.000 0.000 0.254 278 T C 0.573 175.303 174.700 0.050 0.000 1.060 278 T CA 0.368 62.501 62.100 0.056 0.000 1.135 278 T CB 0.054 68.942 68.868 0.034 0.000 0.896 278 T HN 0.568 nan 8.240 nan 0.000 0.472 279 T N 1.631 116.202 114.554 0.028 0.000 2.916 279 T HA 0.571 4.921 4.350 0.000 0.000 0.298 279 T C -1.047 173.656 174.700 0.005 0.000 1.031 279 T CA -0.584 61.521 62.100 0.009 0.000 0.993 279 T CB 2.152 71.016 68.868 -0.006 0.000 1.045 279 T HN 0.098 nan 8.240 nan 0.000 0.454 280 T N 2.496 117.047 114.554 -0.005 0.000 2.895 280 T HA 0.603 4.953 4.350 0.000 0.000 0.283 280 T C -0.029 174.675 174.700 0.006 0.000 1.014 280 T CA -0.579 61.526 62.100 0.007 0.000 1.037 280 T CB 0.633 69.505 68.868 0.007 0.000 1.006 280 T HN 0.423 nan 8.240 nan 0.000 0.468 281 I N 5.136 125.725 120.570 0.032 0.000 2.306 281 I HA 0.270 4.440 4.170 0.000 0.000 0.288 281 I C -1.710 174.448 176.117 0.068 0.000 1.036 281 I CA -2.146 59.172 61.300 0.031 0.000 1.221 281 I CB 1.285 39.310 38.000 0.042 0.000 1.385 281 I HN 0.376 nan 8.210 nan 0.000 0.472 282 P HA 0.131 nan 4.420 nan 0.000 0.269 282 P C -0.978 176.423 177.300 0.169 0.000 1.215 282 P CA -0.201 62.956 63.100 0.095 0.000 0.780 282 P CB 0.745 32.444 31.700 -0.002 0.000 0.898 283 M N 0.947 120.691 119.600 0.241 0.000 2.238 283 M HA 0.410 4.890 4.480 0.000 0.000 0.350 283 M C 0.219 176.675 176.300 0.260 0.000 1.138 283 M CA -0.750 54.717 55.300 0.280 0.000 1.040 283 M CB 1.492 34.329 32.600 0.395 0.000 1.639 283 M HN 0.339 nan 8.290 nan 0.000 0.451 284 Q N 2.997 122.941 119.800 0.241 0.000 2.230 284 Q HA 0.654 4.994 4.340 0.000 0.000 0.253 284 Q C -1.706 174.288 176.000 -0.010 0.000 0.919 284 Q CA -0.508 55.313 55.803 0.031 0.000 0.908 284 Q CB 1.583 30.328 28.738 0.012 0.000 1.245 284 Q HN 0.845 nan 8.270 nan 0.000 0.437 285 I N 3.238 123.766 120.570 -0.071 0.000 2.377 285 I HA 0.298 4.468 4.170 0.000 0.000 0.293 285 I C -0.220 175.860 176.117 -0.061 0.000 0.987 285 I CA -0.790 60.509 61.300 -0.002 0.000 1.185 285 I CB 1.974 40.005 38.000 0.050 0.000 1.341 285 I HN 0.741 nan 8.210 nan 0.000 0.455 286 T N 3.072 117.562 114.554 -0.107 0.000 2.794 286 T HA 0.699 5.049 4.350 0.000 0.000 0.280 286 T C 0.155 174.614 174.700 -0.402 0.000 0.987 286 T CA -0.848 61.124 62.100 -0.214 0.000 0.993 286 T CB 1.603 70.369 68.868 -0.171 0.000 0.939 286 T HN 0.662 nan 8.240 nan 0.000 0.449 287 A N 5.122 127.468 122.820 -0.791 0.000 2.583 287 A HA 0.410 4.730 4.320 0.000 0.000 0.231 287 A C -1.689 175.384 177.584 -0.851 0.000 1.065 287 A CA -0.964 50.169 52.037 -1.507 0.000 0.760 287 A CB -0.799 16.950 19.000 -2.086 0.000 1.001 287 A HN 0.797 nan 8.150 nan 0.000 0.509 288 P HA 0.134 nan 4.420 nan 0.000 0.268 288 P C 0.807 177.906 177.300 -0.334 0.000 1.205 288 P CA 0.661 63.531 63.100 -0.384 0.000 0.771 288 P CB 0.793 32.352 31.700 -0.235 0.000 0.858 289 A N 3.843 126.527 122.820 -0.227 0.000 1.927 289 A HA -0.231 4.089 4.320 0.000 0.000 0.220 289 A C 2.014 179.491 177.584 -0.178 0.000 1.185 289 A CA 2.474 54.396 52.037 -0.191 0.000 0.639 289 A CB -1.755 17.166 19.000 -0.131 0.000 0.820 289 A HN 0.667 nan 8.150 nan 0.000 0.451 290 S N -1.422 114.201 115.700 -0.127 0.000 2.723 290 S HA 0.151 4.621 4.470 0.000 0.000 0.231 290 S C 0.931 175.441 174.600 -0.150 0.000 0.967 290 S CA 0.979 59.108 58.200 -0.118 0.000 0.958 290 S CB 0.056 63.263 63.200 0.012 0.000 0.778 290 S HN 0.317 nan 8.310 nan 0.000 0.537 291 V N -0.007 119.783 119.914 -0.206 0.000 3.368 291 V HA 0.047 4.167 4.120 0.000 0.000 0.255 291 V C 1.940 177.775 176.094 -0.432 0.000 1.466 291 V CA 0.934 63.085 62.300 -0.248 0.000 1.095 291 V CB 0.037 31.709 31.823 -0.252 0.000 0.899 291 V HN 0.471 nan 8.190 nan 0.000 0.440 292 T N 0.359 114.644 114.554 -0.448 0.000 3.035 292 T HA -0.120 4.230 4.350 0.000 0.000 0.268 292 T C 1.835 176.438 174.700 -0.162 0.000 1.109 292 T CA 1.717 63.585 62.100 -0.387 0.000 1.119 292 T CB -0.188 68.493 68.868 -0.311 0.000 0.900 292 T HN 0.499 nan 8.240 nan 0.000 0.503 293 T N 0.778 115.250 114.554 -0.137 0.000 2.759 293 T HA 0.117 4.467 4.350 0.000 0.000 0.269 293 T C 1.198 175.876 174.700 -0.038 0.000 1.042 293 T CA 1.154 63.205 62.100 -0.082 0.000 1.140 293 T CB -0.163 68.650 68.868 -0.091 0.000 0.864 293 T HN 0.576 nan 8.240 nan 0.000 0.455 294 G N -0.020 108.774 108.800 -0.010 0.000 2.975 294 G HA2 0.483 4.444 3.960 0.000 0.000 0.291 294 G HA3 0.483 4.444 3.960 0.000 0.000 0.291 294 G C -1.811 173.149 174.900 0.101 0.000 1.334 294 G CA -0.811 44.302 45.100 0.022 0.000 0.843 294 G HN 0.001 nan 8.290 nan 0.000 0.548 295 D N 1.192 121.602 120.400 0.016 0.000 2.515 295 D HA 0.279 4.919 4.640 0.000 0.000 0.232 295 D C 0.286 176.558 176.300 -0.047 0.000 1.157 295 D CA 1.058 55.010 54.000 -0.080 0.000 0.871 295 D CB 0.293 40.997 40.800 -0.160 0.000 1.200 295 D HN 0.594 nan 8.370 nan 0.000 0.466 296 H N -1.309 117.610 119.070 -0.253 0.000 2.932 296 H HA 0.397 4.953 4.556 0.000 0.000 0.307 296 H C -1.432 173.772 175.328 -0.207 0.000 1.391 296 H CA -0.801 55.127 56.048 -0.200 0.000 1.130 296 H CB 0.298 30.068 29.762 0.013 0.000 1.836 296 H HN 0.360 nan 8.280 nan 0.000 0.522 297 Y N -0.166 120.321 120.300 0.311 0.000 2.634 297 Y HA 0.488 5.038 4.550 0.000 0.000 0.340 297 Y C -0.525 175.616 175.900 0.401 0.000 1.058 297 Y CA -1.278 57.005 58.100 0.304 0.000 1.081 297 Y CB 1.582 40.057 38.460 0.025 0.000 1.295 297 Y HN 0.475 nan 8.280 nan 0.000 0.487 298 L N 0.626 122.166 121.223 0.528 0.000 2.272 298 L HA 0.454 4.794 4.340 0.000 0.000 0.289 298 L C -0.192 176.619 176.870 -0.099 0.000 1.032 298 L CA 0.045 54.894 54.840 0.015 0.000 0.810 298 L CB 0.891 42.956 42.059 0.009 0.000 1.205 298 L HN 0.994 nan 8.230 nan 0.000 0.422 299 C N 2.809 121.946 119.300 -0.271 0.000 2.544 299 C HA 0.252 4.712 4.460 0.000 0.000 0.280 299 C C 0.583 175.404 174.990 -0.282 0.000 1.295 299 C CA 0.681 59.519 59.018 -0.299 0.000 1.702 299 C CB -0.606 27.016 27.740 -0.197 0.000 2.090 299 C HN 1.001 nan 8.230 nan 0.000 0.493 300 D N -1.944 118.325 120.400 -0.220 0.000 2.654 300 D HA 0.465 5.105 4.640 0.000 0.000 0.231 300 D C -1.564 174.512 176.300 -0.373 0.000 1.239 300 D CA -0.286 53.665 54.000 -0.082 0.000 0.790 300 D CB 1.423 42.170 40.800 -0.087 0.000 1.480 300 D HN -0.035 nan 8.370 nan 0.000 0.442 301 V N 1.160 120.781 119.914 -0.488 0.000 2.540 301 V HA 0.907 5.027 4.120 0.000 0.000 0.302 301 V C -0.438 175.276 176.094 -0.634 0.000 1.035 301 V CA -0.486 61.252 62.300 -0.935 0.000 0.873 301 V CB 1.267 31.906 31.823 -1.972 0.000 0.992 301 V HN 0.844 nan 8.190 nan 0.000 0.428 302 A N 3.989 126.480 122.820 -0.549 0.000 2.476 302 A HA 0.626 4.946 4.320 0.000 0.000 0.280 302 A C -1.413 176.004 177.584 -0.279 0.000 1.081 302 A CA -0.546 51.325 52.037 -0.277 0.000 0.753 302 A CB 0.588 19.489 19.000 -0.166 0.000 1.248 302 A HN 0.791 nan 8.150 nan 0.000 0.424 303 W N 3.080 124.316 121.300 -0.106 0.000 2.368 303 W HA 0.346 5.007 4.660 0.000 0.000 0.316 303 W C 1.067 177.517 176.519 -0.115 0.000 1.375 303 W CA 0.130 57.428 57.345 -0.079 0.000 1.261 303 W CB 1.144 30.638 29.460 0.055 0.000 1.298 303 W HN 0.509 nan 8.180 nan 0.000 0.539 304 V N 2.651 122.555 119.914 -0.018 0.000 2.300 304 V HA -0.098 4.022 4.120 0.000 0.000 0.241 304 V C 1.149 177.279 176.094 0.059 0.000 1.034 304 V CA 1.935 64.099 62.300 -0.226 0.000 1.021 304 V CB -0.353 31.063 31.823 -0.678 0.000 0.662 304 V HN 0.624 nan 8.190 nan 0.000 0.458 305 S N -1.187 114.612 115.700 0.166 0.000 3.132 305 S HA 0.352 4.822 4.470 0.000 0.000 0.322 305 S C 0.498 175.279 174.600 0.302 0.000 1.124 305 S CA -0.036 58.282 58.200 0.198 0.000 0.906 305 S CB 1.699 64.995 63.200 0.159 0.000 1.349 305 S HN 0.243 nan 8.310 nan 0.000 0.686 306 E N -0.336 120.014 120.200 0.249 0.000 2.479 306 E HA 0.140 4.490 4.350 0.000 0.000 0.193 306 E C -0.336 176.566 176.600 0.504 0.000 1.049 306 E CA 0.227 56.802 56.400 0.291 0.000 0.870 306 E CB 0.056 29.858 29.700 0.170 0.000 0.944 306 E HN 0.536 nan 8.360 nan 0.000 0.492 307 D N 0.113 120.775 120.400 0.436 0.000 2.540 307 D HA 0.126 4.766 4.640 0.000 0.000 0.229 307 D C -0.458 176.083 176.300 0.401 0.000 1.250 307 D CA -0.014 54.214 54.000 0.380 0.000 0.817 307 D CB 0.699 41.644 40.800 0.241 0.000 1.060 307 D HN -0.026 nan 8.370 nan 0.000 0.508 308 R N 1.099 121.876 120.500 0.461 0.000 2.564 308 R HA 0.594 4.934 4.340 0.000 0.000 0.284 308 R C -1.834 174.549 176.300 0.139 0.000 1.031 308 R CA -0.511 55.749 56.100 0.266 0.000 0.904 308 R CB 2.000 32.345 30.300 0.075 0.000 1.199 308 R HN -0.028 nan 8.270 nan 0.000 0.443 309 I N 1.932 122.430 120.570 -0.120 0.000 2.730 309 I HA 0.415 4.585 4.170 0.000 0.000 0.298 309 I C -1.264 174.560 176.117 -0.489 0.000 1.089 309 I CA -0.496 60.484 61.300 -0.532 0.000 1.041 309 I CB 2.425 39.728 38.000 -1.162 0.000 1.235 309 I HN 0.667 nan 8.210 nan 0.000 0.423 310 S N 7.363 122.730 115.700 -0.554 0.000 2.454 310 S HA 0.740 5.210 4.470 0.000 0.000 0.306 310 S C -1.219 173.046 174.600 -0.559 0.000 1.100 310 S CA -0.564 57.365 58.200 -0.452 0.000 1.087 310 S CB 0.820 63.814 63.200 -0.344 0.000 1.019 310 S HN 0.516 nan 8.310 nan 0.000 0.480 311 L N 4.011 124.929 121.223 -0.509 0.000 2.386 311 L HA 0.576 4.916 4.340 0.000 0.000 0.271 311 L C -0.362 176.186 176.870 -0.537 0.000 0.993 311 L CA -0.699 53.725 54.840 -0.692 0.000 0.819 311 L CB 2.207 43.774 42.059 -0.820 0.000 1.294 311 L HN 0.595 nan 8.230 nan 0.000 0.414 312 Q N 1.858 121.272 119.800 -0.644 0.000 2.333 312 Q HA 0.423 4.763 4.340 0.000 0.000 0.267 312 Q C -1.723 173.958 176.000 -0.532 0.000 1.012 312 Q CA -0.573 54.985 55.803 -0.409 0.000 0.824 312 Q CB 2.637 31.212 28.738 -0.272 0.000 1.290 312 Q HN 0.452 nan 8.270 nan 0.000 0.449 313 W N 2.114 123.371 121.300 -0.072 0.000 2.706 313 W HA 0.641 5.301 4.660 0.000 0.000 0.346 313 W C -0.809 175.746 176.519 0.060 0.000 1.071 313 W CA -0.596 56.757 57.345 0.014 0.000 1.206 313 W CB 1.124 30.585 29.460 0.003 0.000 1.413 313 W HN 0.377 nan 8.180 nan 0.000 0.542 314 L N 1.944 123.407 121.223 0.400 0.000 2.422 314 L HA 0.562 4.902 4.340 0.000 0.000 0.264 314 L C -0.193 176.916 176.870 0.398 0.000 0.984 314 L CA -1.107 53.931 54.840 0.330 0.000 0.819 314 L CB 1.689 43.894 42.059 0.244 0.000 1.330 314 L HN 0.397 nan 8.230 nan 0.000 0.410 315 R N 1.741 122.438 120.500 0.329 0.000 2.560 315 R HA 0.307 4.647 4.340 0.000 0.000 0.270 315 R C 0.937 177.370 176.300 0.222 0.000 1.074 315 R CA -0.387 55.856 56.100 0.238 0.000 1.140 315 R CB 0.673 31.078 30.300 0.174 0.000 1.073 315 R HN 0.585 nan 8.270 nan 0.000 0.527 316 R N 1.111 121.649 120.500 0.063 0.000 2.139 316 R HA -0.094 4.246 4.340 0.000 0.000 0.243 316 R C 0.306 176.708 176.300 0.171 0.000 1.145 316 R CA 1.286 57.411 56.100 0.041 0.000 0.976 316 R CB 0.165 30.409 30.300 -0.094 0.000 0.866 316 R HN 0.366 nan 8.270 nan 0.000 0.449 317 I N 2.621 123.260 120.570 0.115 0.000 2.310 317 I HA 0.049 4.219 4.170 0.000 0.000 0.287 317 I C 0.117 176.309 176.117 0.125 0.000 1.073 317 I CA 0.007 61.363 61.300 0.093 0.000 1.216 317 I CB 1.037 39.075 38.000 0.062 0.000 1.415 317 I HN 0.268 nan 8.210 nan 0.000 0.480 318 Q N 3.099 122.968 119.800 0.114 0.000 2.430 318 Q HA -0.131 4.209 4.340 0.000 0.000 0.194 318 Q C 1.383 177.472 176.000 0.147 0.000 0.895 318 Q CA 0.259 56.137 55.803 0.125 0.000 1.034 318 Q CB -0.572 28.193 28.738 0.044 0.000 1.061 318 Q HN 0.589 nan 8.270 nan 0.000 0.518 319 N N -0.280 118.509 118.700 0.150 0.000 2.216 319 N HA -0.127 4.613 4.740 0.000 0.000 0.183 319 N C -0.325 175.305 175.510 0.199 0.000 1.017 319 N CA 0.367 53.504 53.050 0.145 0.000 0.861 319 N CB 0.320 38.880 38.487 0.122 0.000 0.986 319 N HN 0.279 nan 8.380 nan 0.000 0.428 320 Y N -0.061 120.276 120.300 0.063 0.000 2.446 320 Y HA 0.495 5.046 4.550 0.000 0.000 0.345 320 Y C -1.087 174.858 175.900 0.076 0.000 0.984 320 Y CA -0.825 57.310 58.100 0.060 0.000 1.058 320 Y CB 1.856 40.344 38.460 0.046 0.000 1.220 320 Y HN -0.218 nan 8.280 nan 0.000 0.455 321 S N 4.146 119.649 115.700 -0.328 0.000 2.536 321 S HA 0.811 5.281 4.470 0.000 0.000 0.271 321 S C -2.284 172.103 174.600 -0.357 0.000 1.134 321 S CA -0.523 57.569 58.200 -0.181 0.000 0.897 321 S CB 1.297 64.454 63.200 -0.073 0.000 1.094 321 S HN 0.547 nan 8.310 nan 0.000 0.473 322 V N 5.140 124.997 119.914 -0.094 0.000 2.709 322 V HA 0.592 4.712 4.120 0.000 0.000 0.308 322 V C -0.433 175.692 176.094 0.052 0.000 1.062 322 V CA -0.645 61.630 62.300 -0.043 0.000 0.901 322 V CB 1.975 33.835 31.823 0.061 0.000 1.003 322 V HN 0.942 nan 8.190 nan 0.000 0.425 323 M N 4.989 124.595 119.600 0.010 0.000 2.016 323 M HA 0.685 5.165 4.480 0.000 0.000 0.315 323 M C -0.213 176.099 176.300 0.019 0.000 0.930 323 M CA -0.485 54.795 55.300 -0.034 0.000 0.899 323 M CB 0.808 33.317 32.600 -0.152 0.000 1.401 323 M HN 0.774 nan 8.290 nan 0.000 0.386 324 A N 5.157 128.007 122.820 0.050 0.000 2.340 324 A HA 0.684 5.004 4.320 0.000 0.000 0.268 324 A C -0.548 177.018 177.584 -0.030 0.000 1.100 324 A CA -0.474 51.584 52.037 0.034 0.000 0.803 324 A CB 0.446 19.477 19.000 0.051 0.000 1.043 324 A HN 0.903 nan 8.150 nan 0.000 0.488 325 I N 1.304 121.877 120.570 0.004 0.000 2.378 325 I HA 0.296 4.466 4.170 0.000 0.000 0.291 325 I C -0.750 175.363 176.117 -0.008 0.000 0.992 325 I CA -0.317 60.968 61.300 -0.025 0.000 1.154 325 I CB 1.475 39.519 38.000 0.072 0.000 1.315 325 I HN 0.549 nan 8.210 nan 0.000 0.448 326 c N 4.235 122.820 118.600 -0.025 0.000 2.417 326 c HA 0.509 5.079 4.570 0.000 0.000 0.324 326 c C -0.372 173.844 174.090 0.211 0.000 1.240 326 c CA -0.858 55.522 56.329 0.085 0.000 1.632 326 c CB 1.297 43.863 42.510 0.093 0.000 2.241 326 c HN 0.616 nan 8.230 nan 0.000 0.499 327 D N 0.361 120.871 120.400 0.184 0.000 2.252 327 D HA 0.221 4.861 4.640 0.000 0.000 0.245 327 D C -1.060 175.198 176.300 -0.069 0.000 1.009 327 D CA -0.209 53.862 54.000 0.118 0.000 0.870 327 D CB 1.823 42.645 40.800 0.037 0.000 1.251 327 D HN 0.627 nan 8.370 nan 0.000 0.460 328 Y N 1.839 121.815 120.300 -0.540 0.000 2.404 328 Y HA 0.080 4.630 4.550 0.000 0.000 0.344 328 Y C -0.005 175.592 175.900 -0.504 0.000 0.995 328 Y CA -0.525 56.925 58.100 -1.084 0.000 1.201 328 Y CB 0.503 38.063 38.460 -1.499 0.000 1.151 328 Y HN 0.148 nan 8.280 nan 0.000 0.517 329 D N 6.004 125.815 120.400 -0.982 0.000 2.336 329 D HA 0.064 4.704 4.640 0.000 0.000 0.249 329 D C 0.324 176.027 176.300 -0.994 0.000 1.213 329 D CA 0.048 53.628 54.000 -0.700 0.000 0.870 329 D CB 1.087 41.630 40.800 -0.428 0.000 1.076 329 D HN 0.765 nan 8.370 nan 0.000 0.483 330 K N 1.811 121.843 120.400 -0.613 0.000 2.097 330 K HA -0.075 4.245 4.320 0.000 0.000 0.205 330 K C 1.826 178.297 176.600 -0.216 0.000 1.050 330 K CA 0.972 57.042 56.287 -0.361 0.000 0.938 330 K CB 0.112 32.562 32.500 -0.083 0.000 0.718 330 K HN 0.346 nan 8.250 nan 0.000 0.442 331 T N 0.881 115.321 114.554 -0.190 0.000 2.639 331 T HA -0.088 4.262 4.350 0.000 0.000 0.261 331 T C 1.728 176.363 174.700 -0.108 0.000 1.053 331 T CA 1.736 63.768 62.100 -0.113 0.000 1.158 331 T CB -0.210 68.604 68.868 -0.091 0.000 0.863 331 T HN 0.245 nan 8.240 nan 0.000 0.413 332 T N 2.089 116.557 114.554 -0.143 0.000 3.129 332 T HA 0.324 4.674 4.350 0.000 0.000 0.251 332 T C 0.636 175.273 174.700 -0.105 0.000 1.117 332 T CA -0.128 61.912 62.100 -0.101 0.000 1.034 332 T CB -0.559 68.257 68.868 -0.088 0.000 0.968 332 T HN 0.354 nan 8.240 nan 0.000 0.526 333 L N 1.013 122.120 121.223 -0.193 0.000 3.823 333 L HA -0.153 4.187 4.340 0.000 0.000 0.525 333 L C -0.679 176.166 176.870 -0.042 0.000 1.247 333 L CA -0.229 54.535 54.840 -0.127 0.000 0.776 333 L CB -1.939 40.185 42.059 0.107 0.000 1.443 333 L HN 0.139 nan 8.230 nan 0.000 0.831 334 V N -1.384 118.382 119.914 -0.247 0.000 3.147 334 V HA 0.509 4.629 4.120 0.000 0.000 0.306 334 V C -0.535 175.439 176.094 -0.201 0.000 1.209 334 V CA -0.865 61.401 62.300 -0.056 0.000 1.023 334 V CB 2.247 34.057 31.823 -0.022 0.000 1.059 334 V HN 0.290 nan 8.190 nan 0.000 0.435 335 W N 2.026 123.354 121.300 0.046 0.000 2.417 335 W HA 0.605 5.265 4.660 0.000 0.000 0.317 335 W C 0.119 176.628 176.519 -0.018 0.000 1.121 335 W CA -0.293 57.070 57.345 0.029 0.000 1.208 335 W CB 0.876 30.353 29.460 0.028 0.000 1.253 335 W HN 0.422 nan 8.180 nan 0.000 0.533 336 N N 2.111 120.890 118.700 0.131 0.000 2.321 336 N HA 0.417 5.157 4.740 0.000 0.000 0.299 336 N C -1.392 174.159 175.510 0.068 0.000 1.048 336 N CA -0.533 52.554 53.050 0.061 0.000 0.836 336 N CB 1.837 40.323 38.487 -0.002 0.000 1.269 336 N HN 0.282 nan 8.380 nan 0.000 0.486 337 c N 2.112 120.731 118.600 0.032 0.000 3.273 337 c HA 0.272 4.842 4.570 0.000 0.000 0.227 337 c C -2.071 172.014 174.090 -0.009 0.000 1.409 337 c CA -1.413 54.924 56.329 0.013 0.000 1.516 337 c CB -0.538 41.970 42.510 -0.004 0.000 1.853 337 c HN 0.527 nan 8.230 nan 0.000 0.472 338 P HA 0.025 nan 4.420 nan 0.000 0.261 338 P C 1.158 178.443 177.300 -0.025 0.000 1.183 338 P CA 0.877 63.968 63.100 -0.016 0.000 0.761 338 P CB 0.713 32.408 31.700 -0.009 0.000 0.785 339 T N -0.242 114.292 114.554 -0.033 0.000 2.869 339 T HA -0.171 4.179 4.350 0.000 0.000 0.270 339 T C 1.397 176.067 174.700 -0.050 0.000 1.082 339 T CA 1.844 63.921 62.100 -0.039 0.000 1.123 339 T CB -1.379 67.467 68.868 -0.035 0.000 0.856 339 T HN 0.411 nan 8.240 nan 0.000 0.499 340 T N 2.074 116.603 114.554 -0.042 0.000 2.929 340 T HA -0.071 4.279 4.350 0.000 0.000 0.271 340 T C 1.481 176.130 174.700 -0.084 0.000 1.085 340 T CA 1.031 63.101 62.100 -0.050 0.000 1.125 340 T CB -0.258 68.595 68.868 -0.025 0.000 0.874 340 T HN 0.618 nan 8.240 nan 0.000 0.494 341 Q N -0.075 119.684 119.800 -0.068 0.000 2.186 341 Q HA 0.273 4.613 4.340 0.000 0.000 0.241 341 Q C 1.201 177.140 176.000 -0.101 0.000 0.849 341 Q CA -0.244 55.516 55.803 -0.072 0.000 1.053 341 Q CB 0.559 29.321 28.738 0.040 0.000 1.146 341 Q HN 0.340 nan 8.270 nan 0.000 0.475 342 E N 0.718 120.829 120.200 -0.149 0.000 2.001 342 E HA -0.125 4.225 4.350 0.000 0.000 0.193 342 E C -0.513 176.075 176.600 -0.019 0.000 0.994 342 E CA 1.072 57.428 56.400 -0.074 0.000 0.815 342 E CB 0.250 29.919 29.700 -0.051 0.000 0.770 342 E HN 0.260 nan 8.360 nan 0.000 0.453 343 H N -1.005 118.079 119.070 0.023 0.000 3.905 343 H HA -0.135 4.421 4.556 0.000 0.000 0.316 343 H C -0.853 174.440 175.328 -0.058 0.000 0.831 343 H CA 0.847 56.897 56.048 0.003 0.000 0.929 343 H CB -1.622 28.124 29.762 -0.027 0.000 1.374 343 H HN 0.180 nan 8.280 nan 0.000 0.337 344 I N 2.845 123.450 120.570 0.058 0.000 2.441 344 I HA 0.258 4.428 4.170 0.000 0.000 0.295 344 I C 0.636 176.700 176.117 -0.088 0.000 0.994 344 I CA -0.299 60.940 61.300 -0.103 0.000 1.144 344 I CB 2.088 40.020 38.000 -0.113 0.000 1.314 344 I HN 0.398 nan 8.210 nan 0.000 0.445 345 E N 3.922 124.009 120.200 -0.189 0.000 2.187 345 E HA 0.556 4.906 4.350 0.000 0.000 0.268 345 E C -1.260 175.262 176.600 -0.129 0.000 0.896 345 E CA -0.343 55.998 56.400 -0.098 0.000 0.766 345 E CB 1.938 31.597 29.700 -0.068 0.000 1.142 345 E HN 0.536 nan 8.360 nan 0.000 0.408 346 T N 1.378 115.911 114.554 -0.035 0.000 2.865 346 T HA 0.494 4.844 4.350 0.000 0.000 0.294 346 T C -1.519 173.197 174.700 0.026 0.000 1.119 346 T CA -0.638 61.468 62.100 0.010 0.000 1.007 346 T CB 1.721 70.619 68.868 0.050 0.000 1.225 346 T HN 0.275 nan 8.240 nan 0.000 0.515 347 S N 0.233 115.961 115.700 0.046 0.000 2.750 347 S HA 0.582 5.052 4.470 0.000 0.000 0.276 347 S C 0.403 175.029 174.600 0.044 0.000 1.165 347 S CA -0.129 58.092 58.200 0.034 0.000 1.047 347 S CB 0.725 63.941 63.200 0.027 0.000 1.056 347 S HN 0.830 nan 8.310 nan 0.000 0.481 348 A N 3.376 126.216 122.820 0.035 0.000 2.218 348 A HA 0.204 4.524 4.320 0.000 0.000 0.209 348 A C 1.560 179.168 177.584 0.039 0.000 1.168 348 A CA 1.095 53.154 52.037 0.036 0.000 0.804 348 A CB -0.395 18.620 19.000 0.026 0.000 0.834 348 A HN 0.755 nan 8.150 nan 0.000 0.482 349 T N -1.965 112.627 114.554 0.063 0.000 3.039 349 T HA 0.404 4.754 4.350 0.000 0.000 0.250 349 T C 1.333 176.048 174.700 0.025 0.000 1.052 349 T CA 1.042 63.207 62.100 0.109 0.000 1.125 349 T CB 0.512 69.498 68.868 0.195 0.000 0.908 349 T HN 0.588 nan 8.240 nan 0.000 0.473 350 G N 0.369 109.084 108.800 -0.143 0.000 3.482 350 G HA2 0.407 4.367 3.960 0.000 0.000 0.120 350 G HA3 0.407 4.367 3.960 0.000 0.000 0.120 350 G C -1.357 173.484 174.900 -0.098 0.000 1.169 350 G CA -0.138 44.752 45.100 -0.349 0.000 1.382 350 G HN 0.494 nan 8.290 nan 0.000 0.629 351 W N -0.569 120.499 121.300 -0.387 0.000 3.039 351 W HA 0.758 5.418 4.660 0.000 0.000 0.354 351 W C -1.006 175.493 176.519 -0.034 0.000 1.206 351 W CA -1.468 55.774 57.345 -0.171 0.000 1.134 351 W CB 0.673 29.989 29.460 -0.240 0.000 1.493 351 W HN 0.343 nan 8.180 nan 0.000 0.591 352 C N 3.164 122.586 119.300 0.203 0.000 2.347 352 C HA 0.800 5.260 4.460 0.000 0.000 0.353 352 C C 1.111 176.200 174.990 0.165 0.000 1.273 352 C CA 1.211 60.292 59.018 0.104 0.000 1.861 352 C CB -0.423 27.361 27.740 0.074 0.000 2.420 352 C HN 1.263 nan 8.230 nan 0.000 0.542 353 G N 4.584 113.416 108.800 0.054 0.000 2.698 353 G HA2 -0.197 3.763 3.960 0.000 0.000 0.233 353 G HA3 -0.197 3.763 3.960 0.000 0.000 0.233 353 G C 0.497 175.468 174.900 0.118 0.000 1.352 353 G CA 0.032 45.173 45.100 0.068 0.000 0.879 353 G HN 0.727 nan 8.290 nan 0.000 0.567 354 R N -1.287 119.253 120.500 0.066 0.000 2.064 354 R HA 0.303 4.644 4.340 0.000 0.000 0.221 354 R C 2.216 178.423 176.300 -0.156 0.000 1.136 354 R CA 1.796 57.848 56.100 -0.080 0.000 0.980 354 R CB 0.002 30.165 30.300 -0.229 0.000 0.876 354 R HN 0.465 nan 8.270 nan 0.000 0.437 355 F N -0.275 119.801 119.950 0.210 0.000 2.789 355 F HA 0.268 4.795 4.527 0.000 0.000 0.320 355 F C 0.257 176.070 175.800 0.021 0.000 1.079 355 F CA -0.623 57.447 58.000 0.116 0.000 1.205 355 F CB 0.898 39.965 39.000 0.113 0.000 1.046 355 F HN -0.101 nan 8.300 nan 0.000 0.586 356 R N -1.081 119.536 120.500 0.196 0.000 2.753 356 R HA 0.372 4.712 4.340 0.000 0.000 0.272 356 R C -3.357 172.987 176.300 0.073 0.000 1.034 356 R CA -1.935 54.211 56.100 0.077 0.000 0.869 356 R CB -0.105 30.192 30.300 -0.005 0.000 1.264 356 R HN -0.354 nan 8.270 nan 0.000 0.481 357 P HA -0.016 nan 4.420 nan 0.000 0.264 357 P C -0.448 176.869 177.300 0.029 0.000 1.179 357 P CA 0.432 63.542 63.100 0.018 0.000 0.763 357 P CB 0.509 32.194 31.700 -0.025 0.000 0.806 358 A N 2.556 125.405 122.820 0.048 0.000 2.406 358 A HA 0.100 4.420 4.320 0.000 0.000 0.243 358 A C 0.416 178.033 177.584 0.055 0.000 1.082 358 A CA -0.189 51.897 52.037 0.081 0.000 0.786 358 A CB -0.140 18.925 19.000 0.108 0.000 1.029 358 A HN 0.593 nan 8.150 nan 0.000 0.495 359 E N 1.236 121.487 120.200 0.086 0.000 2.331 359 E HA 0.337 4.687 4.350 0.000 0.000 0.272 359 E C -2.271 174.339 176.600 0.017 0.000 1.036 359 E CA -1.922 54.488 56.400 0.017 0.000 0.864 359 E CB 0.746 30.449 29.700 0.006 0.000 1.035 359 E HN 0.476 nan 8.360 nan 0.000 0.408 360 P HA 0.112 nan 4.420 nan 0.000 0.277 360 P C -1.162 176.089 177.300 -0.082 0.000 1.240 360 P CA -0.081 62.977 63.100 -0.070 0.000 0.798 360 P CB 0.782 32.248 31.700 -0.390 0.000 0.979 361 H N 1.990 121.152 119.070 0.153 0.000 2.887 361 H HA 0.287 4.843 4.556 0.000 0.000 0.300 361 H C -0.239 175.263 175.328 0.289 0.000 1.038 361 H CA -0.304 55.895 56.048 0.251 0.000 1.352 361 H CB 0.217 30.118 29.762 0.233 0.000 1.473 361 H HN 0.293 nan 8.280 nan 0.000 0.503 362 F N 1.564 121.702 119.950 0.314 0.000 2.380 362 F HA 0.090 4.617 4.527 0.000 0.000 0.325 362 F C 1.733 177.724 175.800 0.318 0.000 1.136 362 F CA -0.290 57.907 58.000 0.329 0.000 1.171 362 F CB 0.906 40.029 39.000 0.205 0.000 1.230 362 F HN 0.341 nan 8.300 nan 0.000 0.554 363 T N -1.995 112.858 114.554 0.498 0.000 2.770 363 T HA 0.168 4.518 4.350 0.000 0.000 0.281 363 T C 1.165 176.054 174.700 0.314 0.000 0.981 363 T CA -0.476 61.844 62.100 0.368 0.000 0.955 363 T CB 0.928 69.987 68.868 0.317 0.000 1.060 363 T HN 0.476 nan 8.240 nan 0.000 0.531 364 S N 1.326 117.164 115.700 0.231 0.000 2.354 364 S HA -0.129 4.341 4.470 0.000 0.000 0.219 364 S C 1.783 176.492 174.600 0.182 0.000 1.035 364 S CA 1.489 59.802 58.200 0.188 0.000 1.037 364 S CB -0.683 62.602 63.200 0.143 0.000 0.956 364 S HN 0.982 nan 8.310 nan 0.000 0.428 365 D N 1.011 121.513 120.400 0.170 0.000 2.392 365 D HA 0.040 4.680 4.640 0.000 0.000 0.228 365 D C 1.159 177.573 176.300 0.190 0.000 1.003 365 D CA 0.808 54.901 54.000 0.155 0.000 0.917 365 D CB -1.071 39.808 40.800 0.132 0.000 0.890 365 D HN 0.466 nan 8.370 nan 0.000 0.532 366 G N 0.863 109.816 108.800 0.256 0.000 2.296 366 G HA2 -0.389 3.571 3.960 0.000 0.000 0.282 366 G HA3 -0.389 3.571 3.960 0.000 0.000 0.282 366 G C 1.062 176.206 174.900 0.406 0.000 1.014 366 G CA 1.124 46.439 45.100 0.358 0.000 0.812 366 G HN 0.600 nan 8.290 nan 0.000 0.508 367 S N -1.867 114.020 115.700 0.312 0.000 2.446 367 S HA 0.427 4.897 4.470 0.000 0.000 0.225 367 S C 1.087 175.847 174.600 0.265 0.000 1.016 367 S CA 1.153 59.505 58.200 0.254 0.000 0.943 367 S CB 0.345 63.643 63.200 0.164 0.000 0.786 367 S HN 0.949 nan 8.310 nan 0.000 0.508 368 S N 0.466 116.318 115.700 0.254 0.000 2.661 368 S HA 0.826 5.296 4.470 0.000 0.000 0.285 368 S C -1.055 173.557 174.600 0.020 0.000 1.138 368 S CA -0.991 57.239 58.200 0.050 0.000 0.855 368 S CB 1.636 64.763 63.200 -0.123 0.000 1.136 368 S HN 0.608 nan 8.310 nan 0.000 0.484 369 F N -1.299 118.389 119.950 -0.438 0.000 2.654 369 F HA 0.781 5.308 4.527 0.000 0.000 0.308 369 F C -2.240 173.316 175.800 -0.406 0.000 1.108 369 F CA -1.363 56.312 58.000 -0.542 0.000 0.957 369 F CB 0.655 38.776 39.000 -1.466 0.000 1.309 369 F HN 0.474 nan 8.300 nan 0.000 0.446 370 Y N 1.491 121.832 120.300 0.067 0.000 2.377 370 Y HA 0.688 5.238 4.550 0.000 0.000 0.339 370 Y C -0.179 175.837 175.900 0.194 0.000 1.011 370 Y CA -1.035 57.093 58.100 0.048 0.000 1.093 370 Y CB 2.003 40.462 38.460 -0.002 0.000 1.201 370 Y HN 0.751 nan 8.280 nan 0.000 0.455 371 K N 2.995 123.576 120.400 0.301 0.000 2.502 371 K HA 0.576 4.896 4.320 0.000 0.000 0.257 371 K C -1.603 175.102 176.600 0.174 0.000 0.938 371 K CA -0.642 55.807 56.287 0.270 0.000 0.819 371 K CB 1.666 34.313 32.500 0.244 0.000 1.333 371 K HN 0.740 nan 8.250 nan 0.000 0.434 372 I N 4.732 125.390 120.570 0.146 0.000 2.379 372 I HA 0.174 4.344 4.170 0.000 0.000 0.290 372 I C -0.226 175.951 176.117 0.099 0.000 1.063 372 I CA -0.617 60.745 61.300 0.103 0.000 1.351 372 I CB 0.885 38.943 38.000 0.098 0.000 1.410 372 I HN 0.314 nan 8.210 nan 0.000 0.505 373 V N 1.834 121.817 119.914 0.116 0.000 2.888 373 V HA 0.481 4.601 4.120 0.000 0.000 0.309 373 V C 0.028 176.234 176.094 0.188 0.000 1.114 373 V CA -0.781 61.593 62.300 0.124 0.000 0.940 373 V CB 1.645 33.551 31.823 0.138 0.000 1.021 373 V HN 0.611 nan 8.190 nan 0.000 0.426 374 S N 3.439 119.170 115.700 0.051 0.000 2.544 374 S HA 0.187 4.657 4.470 0.000 0.000 0.290 374 S C 0.055 174.680 174.600 0.041 0.000 1.276 374 S CA 0.301 58.472 58.200 -0.048 0.000 1.075 374 S CB -0.118 62.976 63.200 -0.177 0.000 0.849 374 S HN 1.131 nan 8.310 nan 0.000 0.494 375 D N 2.079 122.382 120.400 -0.162 0.000 2.447 375 D HA 0.159 4.800 4.640 0.000 0.000 0.265 375 D C 1.077 177.225 176.300 -0.254 0.000 1.250 375 D CA -0.776 52.944 54.000 -0.466 0.000 1.046 375 D CB 0.308 40.390 40.800 -1.198 0.000 1.095 375 D HN 0.379 nan 8.370 nan 0.000 0.555 376 K N -1.028 119.214 120.400 -0.263 0.000 2.228 376 K HA -0.193 4.127 4.320 0.000 0.000 0.205 376 K C 0.347 176.876 176.600 -0.119 0.000 1.045 376 K CA 1.626 57.827 56.287 -0.143 0.000 0.931 376 K CB -0.070 32.352 32.500 -0.130 0.000 0.727 376 K HN 0.351 nan 8.250 nan 0.000 0.458 377 D N -1.237 119.093 120.400 -0.116 0.000 2.349 377 D HA 0.080 4.720 4.640 0.000 0.000 0.214 377 D C 0.676 176.951 176.300 -0.042 0.000 1.063 377 D CA 0.851 54.842 54.000 -0.015 0.000 0.847 377 D CB 0.830 41.676 40.800 0.078 0.000 0.933 377 D HN 0.459 nan 8.370 nan 0.000 0.513 378 G N 0.936 109.632 108.800 -0.174 0.000 2.132 378 G HA2 -0.278 3.682 3.960 0.000 0.000 0.228 378 G HA3 -0.278 3.682 3.960 0.000 0.000 0.228 378 G C -0.400 174.167 174.900 -0.555 0.000 1.000 378 G CA -0.376 44.504 45.100 -0.368 0.000 0.693 378 G HN 0.276 nan 8.290 nan 0.000 0.515 379 Y N -0.158 119.895 120.300 -0.412 0.000 2.328 379 Y HA 0.594 5.144 4.550 0.000 0.000 0.337 379 Y C 0.696 176.222 175.900 -0.624 0.000 0.966 379 Y CA -1.199 56.563 58.100 -0.562 0.000 1.136 379 Y CB 1.510 39.529 38.460 -0.736 0.000 1.170 379 Y HN -0.008 nan 8.280 nan 0.000 0.470 380 K N 3.581 123.742 120.400 -0.398 0.000 2.361 380 K HA 0.109 4.429 4.320 0.000 0.000 0.283 380 K C -1.088 175.317 176.600 -0.326 0.000 1.078 380 K CA 0.680 56.818 56.287 -0.249 0.000 1.041 380 K CB -0.462 31.950 32.500 -0.146 0.000 0.932 380 K HN 0.660 nan 8.250 nan 0.000 0.462 381 H N 1.081 120.143 119.070 -0.015 0.000 2.928 381 H HA 0.421 4.977 4.556 0.000 0.000 0.371 381 H C -0.363 175.001 175.328 0.060 0.000 1.186 381 H CA -1.218 54.799 56.048 -0.052 0.000 1.134 381 H CB 1.566 31.269 29.762 -0.099 0.000 1.824 381 H HN 0.313 nan 8.280 nan 0.000 0.554 382 I N 2.835 123.442 120.570 0.063 0.000 2.471 382 I HA 0.131 4.301 4.170 0.000 0.000 0.286 382 I C 0.037 176.062 176.117 -0.153 0.000 1.079 382 I CA 0.012 61.279 61.300 -0.055 0.000 1.398 382 I CB -0.048 37.850 38.000 -0.170 0.000 1.403 382 I HN 0.485 nan 8.210 nan 0.000 0.530 383 c N 3.364 121.769 118.600 -0.325 0.000 3.090 383 c HA 0.530 5.100 4.570 0.000 0.000 0.305 383 c C -0.454 173.262 174.090 -0.623 0.000 1.292 383 c CA -1.039 54.915 56.329 -0.625 0.000 1.482 383 c CB 1.354 43.021 42.510 -1.405 0.000 1.897 383 c HN 0.727 nan 8.230 nan 0.000 0.469 384 Q N 0.465 119.836 119.800 -0.715 0.000 2.299 384 Q HA 0.655 4.996 4.340 0.000 0.000 0.246 384 Q C -1.389 173.978 176.000 -1.055 0.000 0.935 384 Q CA 0.246 55.535 55.803 -0.857 0.000 0.887 384 Q CB 1.163 29.497 28.738 -0.674 0.000 1.223 384 Q HN 0.704 nan 8.270 nan 0.000 0.439 385 F N 0.057 119.405 119.950 -1.003 0.000 2.613 385 F HA 0.324 4.851 4.527 0.000 0.000 0.314 385 F C -0.146 175.185 175.800 -0.781 0.000 1.075 385 F CA -0.995 56.383 58.000 -1.038 0.000 0.945 385 F CB 1.920 39.711 39.000 -2.016 0.000 1.310 385 F HN 0.241 nan 8.300 nan 0.000 0.467 386 Q N 1.429 121.150 119.800 -0.132 0.000 2.309 386 Q HA 0.226 4.566 4.340 0.000 0.000 0.264 386 Q C 0.821 177.012 176.000 0.318 0.000 1.008 386 Q CA -0.674 55.157 55.803 0.046 0.000 0.853 386 Q CB 2.310 31.080 28.738 0.054 0.000 1.314 386 Q HN 0.800 nan 8.270 nan 0.000 0.448 387 K N 1.347 121.980 120.400 0.388 0.000 2.107 387 K HA -0.180 4.140 4.320 0.000 0.000 0.211 387 K C -0.307 176.547 176.600 0.423 0.000 1.049 387 K CA 1.581 58.185 56.287 0.528 0.000 0.927 387 K CB 0.158 32.881 32.500 0.371 0.000 0.714 387 K HN 0.427 nan 8.250 nan 0.000 0.452 388 D N 1.534 122.070 120.400 0.226 0.000 2.264 388 D HA 0.068 4.708 4.640 0.000 0.000 0.250 388 D C -0.342 175.965 176.300 0.011 0.000 1.113 388 D CA -0.235 53.805 54.000 0.066 0.000 0.871 388 D CB 1.351 42.179 40.800 0.047 0.000 1.167 388 D HN 0.237 nan 8.370 nan 0.000 0.447 389 R N 1.684 122.045 120.500 -0.232 0.000 2.694 389 R HA 0.151 4.491 4.340 0.000 0.000 0.268 389 R C -0.446 175.842 176.300 -0.020 0.000 1.061 389 R CA 0.044 56.030 56.100 -0.191 0.000 1.133 389 R CB 0.550 30.669 30.300 -0.301 0.000 1.020 389 R HN 0.258 nan 8.270 nan 0.000 0.475 390 K N 4.147 124.569 120.400 0.037 0.000 2.426 390 K HA 0.307 4.627 4.320 0.000 0.000 0.254 390 K C -2.416 174.194 176.600 0.018 0.000 0.936 390 K CA -2.119 54.179 56.287 0.018 0.000 0.801 390 K CB 2.238 34.745 32.500 0.010 0.000 1.139 390 K HN 0.540 nan 8.250 nan 0.000 0.424 391 P HA -0.157 nan 4.420 nan 0.000 0.242 391 P C -1.009 176.298 177.300 0.011 0.000 1.116 391 P CA 0.810 63.916 63.100 0.010 0.000 0.954 391 P CB -0.206 31.496 31.700 0.004 0.000 0.908 392 E N 2.496 122.709 120.200 0.022 0.000 2.252 392 E HA -0.236 4.114 4.350 0.000 0.000 0.218 392 E C -0.197 176.405 176.600 0.004 0.000 1.253 392 E CA 0.541 56.953 56.400 0.020 0.000 0.705 392 E CB -1.816 27.894 29.700 0.017 0.000 1.172 392 E HN 0.657 nan 8.360 nan 0.000 0.369 393 Q N -2.215 117.581 119.800 -0.007 0.000 1.682 393 Q HA 0.049 4.389 4.340 0.000 0.000 0.162 393 Q C 0.853 176.803 176.000 -0.083 0.000 0.798 393 Q CA 0.341 56.118 55.803 -0.044 0.000 0.797 393 Q CB 0.295 29.010 28.738 -0.038 0.000 1.232 393 Q HN 0.174 nan 8.270 nan 0.000 0.369 394 V N -1.154 118.739 119.914 -0.035 0.000 2.688 394 V HA -0.180 3.940 4.120 0.000 0.000 0.256 394 V C 1.145 176.998 176.094 -0.402 0.000 1.084 394 V CA 0.977 63.280 62.300 0.005 0.000 1.103 394 V CB -0.502 31.507 31.823 0.311 0.000 0.688 394 V HN 0.514 nan 8.190 nan 0.000 0.480 395 c N -0.881 117.407 118.600 -0.520 0.000 2.630 395 c HA 0.750 5.320 4.570 0.000 0.000 0.346 395 c C 0.428 174.188 174.090 -0.549 0.000 1.245 395 c CA -0.083 55.711 56.329 -0.890 0.000 1.804 395 c CB 1.838 43.738 42.510 -1.016 0.000 2.279 395 c HN 0.484 nan 8.230 nan 0.000 0.498 396 T N 2.290 116.468 114.554 -0.627 0.000 3.355 396 T HA 0.347 4.697 4.350 0.000 0.000 0.324 396 T C -0.966 173.510 174.700 -0.374 0.000 0.932 396 T CA -0.103 61.800 62.100 -0.329 0.000 1.032 396 T CB 0.072 68.794 68.868 -0.243 0.000 1.027 396 T HN 0.365 nan 8.240 nan 0.000 0.456 397 F N 2.556 122.379 119.950 -0.211 0.000 2.471 397 F HA 0.372 4.899 4.527 0.000 0.000 0.353 397 F C 1.596 177.277 175.800 -0.199 0.000 1.113 397 F CA -0.402 57.476 58.000 -0.205 0.000 1.262 397 F CB 0.591 39.484 39.000 -0.178 0.000 1.146 397 F HN 0.526 nan 8.300 nan 0.000 0.578 398 I N 0.857 121.376 120.570 -0.084 0.000 4.082 398 I HA 0.094 4.264 4.170 0.000 0.000 0.337 398 I C -0.161 175.834 176.117 -0.203 0.000 1.352 398 I CA 0.504 61.666 61.300 -0.229 0.000 1.097 398 I CB 0.116 37.892 38.000 -0.373 0.000 1.048 398 I HN 0.509 nan 8.210 nan 0.000 0.393 399 T N 1.310 115.737 114.554 -0.212 0.000 2.933 399 T HA 0.521 4.871 4.350 0.000 0.000 0.305 399 T C -0.755 173.447 174.700 -0.831 0.000 1.092 399 T CA -0.685 61.128 62.100 -0.478 0.000 1.008 399 T CB 2.685 71.154 68.868 -0.665 0.000 1.102 399 T HN -0.023 nan 8.240 nan 0.000 0.469 400 K N 0.498 120.393 120.400 -0.842 0.000 2.509 400 K HA 0.862 5.182 4.320 0.000 0.000 0.266 400 K C -0.467 175.842 176.600 -0.484 0.000 0.987 400 K CA -1.176 54.708 56.287 -0.672 0.000 0.868 400 K CB 2.525 34.858 32.500 -0.277 0.000 1.421 400 K HN 1.028 nan 8.250 nan 0.000 0.444 401 G N -0.409 108.223 108.800 -0.279 0.000 2.362 401 G HA2 0.257 4.217 3.960 0.000 0.000 0.656 401 G HA3 0.257 4.217 3.960 0.000 0.000 0.656 401 G C -1.295 173.197 174.900 -0.681 0.000 1.376 401 G CA -0.510 44.456 45.100 -0.223 0.000 0.971 401 G HN 0.638 nan 8.290 nan 0.000 0.636 402 A N 1.378 123.959 122.820 -0.398 0.000 3.118 402 A HA 0.635 4.955 4.320 0.000 0.000 0.256 402 A C 0.328 177.940 177.584 0.047 0.000 1.667 402 A CA 0.742 52.388 52.037 -0.651 0.000 1.338 402 A CB -1.076 17.773 19.000 -0.252 0.000 1.127 402 A HN 1.848 nan 8.150 nan 0.000 0.634 403 W N -1.002 120.247 121.300 -0.085 0.000 2.937 403 W HA 0.652 5.312 4.660 0.000 0.000 0.360 403 W C -1.184 175.403 176.519 0.114 0.000 1.215 403 W CA -0.847 56.543 57.345 0.075 0.000 1.183 403 W CB 0.310 29.781 29.460 0.018 0.000 1.458 403 W HN 0.237 nan 8.180 nan 0.000 0.574 404 E N 0.662 120.996 120.200 0.224 0.000 2.343 404 E HA 0.438 4.788 4.350 0.000 0.000 0.270 404 E C -1.205 175.510 176.600 0.192 0.000 0.895 404 E CA -1.177 55.208 56.400 -0.024 0.000 0.767 404 E CB 3.377 33.088 29.700 0.017 0.000 1.248 404 E HN 0.172 nan 8.360 nan 0.000 0.440 405 V N 4.196 124.161 119.914 0.084 0.000 2.427 405 V HA -0.005 4.115 4.120 0.000 0.000 0.268 405 V C 1.372 177.567 176.094 0.168 0.000 1.046 405 V CA -0.060 62.347 62.300 0.178 0.000 0.970 405 V CB 0.269 32.090 31.823 -0.003 0.000 1.001 405 V HN 0.703 nan 8.190 nan 0.000 0.476 406 I N 3.449 124.131 120.570 0.187 0.000 2.202 406 I HA -0.038 4.132 4.170 0.000 0.000 0.242 406 I C 1.078 177.291 176.117 0.159 0.000 1.091 406 I CA 1.395 62.772 61.300 0.129 0.000 1.368 406 I CB -0.651 37.351 38.000 0.002 0.000 1.058 406 I HN 0.852 nan 8.210 nan 0.000 0.410 407 S N -0.682 115.120 115.700 0.169 0.000 2.558 407 S HA 0.519 4.989 4.470 0.000 0.000 0.277 407 S C -0.843 173.851 174.600 0.157 0.000 1.143 407 S CA -0.913 57.387 58.200 0.166 0.000 0.865 407 S CB 1.341 64.641 63.200 0.166 0.000 1.102 407 S HN 0.046 nan 8.310 nan 0.000 0.454 408 I N 2.579 123.199 120.570 0.084 0.000 2.395 408 I HA 0.303 4.473 4.170 0.000 0.000 0.289 408 I C 0.911 177.011 176.117 -0.027 0.000 1.023 408 I CA -0.416 60.848 61.300 -0.059 0.000 1.350 408 I CB 1.006 38.740 38.000 -0.443 0.000 1.409 408 I HN 0.764 nan 8.210 nan 0.000 0.507 409 E N 4.782 125.009 120.200 0.044 0.000 2.340 409 E HA 0.339 4.689 4.350 0.000 0.000 0.198 409 E C 0.074 176.729 176.600 0.093 0.000 0.961 409 E CA 0.167 56.620 56.400 0.088 0.000 0.905 409 E CB 1.009 30.757 29.700 0.080 0.000 0.884 409 E HN 0.690 nan 8.360 nan 0.000 0.491 410 A N 0.743 123.620 122.820 0.095 0.000 2.594 410 A HA 0.517 4.837 4.320 0.000 0.000 0.296 410 A C -2.013 175.670 177.584 0.165 0.000 1.056 410 A CA -0.684 51.436 52.037 0.138 0.000 0.693 410 A CB 1.008 20.054 19.000 0.077 0.000 1.278 410 A HN 0.037 nan 8.150 nan 0.000 0.408 411 L N 1.900 123.222 121.223 0.164 0.000 2.454 411 L HA 0.579 4.919 4.340 0.000 0.000 0.258 411 L C 0.168 177.126 176.870 0.146 0.000 1.025 411 L CA 0.376 55.286 54.840 0.117 0.000 0.901 411 L CB 1.107 43.228 42.059 0.105 0.000 1.210 411 L HN 0.765 nan 8.230 nan 0.000 0.457 412 T N 0.747 115.404 114.554 0.172 0.000 2.766 412 T HA 0.123 4.473 4.350 0.000 0.000 0.295 412 T C 1.399 176.149 174.700 0.084 0.000 1.024 412 T CA 0.437 62.625 62.100 0.147 0.000 1.018 412 T CB 1.032 70.028 68.868 0.213 0.000 1.002 412 T HN 0.729 nan 8.240 nan 0.000 0.532 413 S N 0.107 115.838 115.700 0.052 0.000 2.547 413 S HA -0.088 4.382 4.470 0.000 0.000 0.235 413 S C 0.760 175.351 174.600 -0.015 0.000 0.980 413 S CA 1.380 59.602 58.200 0.035 0.000 0.941 413 S CB -0.461 62.753 63.200 0.023 0.000 0.763 413 S HN 0.887 nan 8.310 nan 0.000 0.532 414 D N -2.226 118.123 120.400 -0.085 0.000 2.345 414 D HA 0.209 4.849 4.640 0.000 0.000 0.290 414 D C -0.106 176.094 176.300 -0.168 0.000 1.107 414 D CA -0.422 53.454 54.000 -0.206 0.000 0.836 414 D CB -0.013 40.521 40.800 -0.443 0.000 1.406 414 D HN 0.494 nan 8.370 nan 0.000 0.532 415 Y N 0.112 120.383 120.300 -0.048 0.000 2.536 415 Y HA 0.560 5.110 4.550 0.000 0.000 0.347 415 Y C -1.325 174.468 175.900 -0.178 0.000 1.000 415 Y CA -1.790 56.214 58.100 -0.160 0.000 1.051 415 Y CB 2.596 40.885 38.460 -0.285 0.000 1.259 415 Y HN -0.139 nan 8.280 nan 0.000 0.468 416 L N 3.353 124.528 121.223 -0.080 0.000 2.388 416 L HA 0.453 4.793 4.340 0.000 0.000 0.267 416 L C -1.837 174.971 176.870 -0.103 0.000 0.995 416 L CA -0.934 53.834 54.840 -0.119 0.000 0.864 416 L CB -0.032 41.877 42.059 -0.249 0.000 1.216 416 L HN 0.395 nan 8.230 nan 0.000 0.430 417 Y N 5.644 125.934 120.300 -0.016 0.000 2.336 417 Y HA 0.483 5.033 4.550 0.000 0.000 0.335 417 Y C -0.061 175.861 175.900 0.036 0.000 1.046 417 Y CA 0.196 58.260 58.100 -0.059 0.000 1.198 417 Y CB 0.685 39.074 38.460 -0.118 0.000 1.182 417 Y HN 0.638 nan 8.280 nan 0.000 0.502 418 Y N 0.368 120.699 120.300 0.052 0.000 2.715 418 Y HA 0.861 5.411 4.550 0.000 0.000 0.331 418 Y C -1.712 174.237 175.900 0.081 0.000 1.197 418 Y CA -2.094 56.032 58.100 0.043 0.000 1.079 418 Y CB 1.314 39.785 38.460 0.018 0.000 1.298 418 Y HN 0.334 nan 8.280 nan 0.000 0.477 419 I N 2.465 123.212 120.570 0.294 0.000 2.499 419 I HA 0.568 4.738 4.170 0.000 0.000 0.288 419 I C -0.826 175.473 176.117 0.303 0.000 1.048 419 I CA -0.540 60.858 61.300 0.163 0.000 1.062 419 I CB 2.191 40.237 38.000 0.077 0.000 1.238 419 I HN 0.877 nan 8.210 nan 0.000 0.426 420 S N 3.202 119.053 115.700 0.252 0.000 2.697 420 S HA 0.472 4.942 4.470 0.000 0.000 0.289 420 S C -0.423 174.263 174.600 0.144 0.000 1.149 420 S CA -0.799 57.566 58.200 0.275 0.000 0.850 420 S CB 1.836 65.337 63.200 0.501 0.000 1.151 420 S HN 0.652 nan 8.310 nan 0.000 0.491 421 N N -0.516 118.281 118.700 0.162 0.000 2.328 421 N HA 0.118 4.858 4.740 0.000 0.000 0.247 421 N C 0.574 176.118 175.510 0.057 0.000 1.165 421 N CA -0.190 52.897 53.050 0.063 0.000 0.873 421 N CB 0.165 38.655 38.487 0.005 0.000 1.125 421 N HN 0.849 nan 8.380 nan 0.000 0.513 422 E N 0.034 120.191 120.200 -0.072 0.000 2.051 422 E HA -0.217 4.134 4.350 0.000 0.000 0.192 422 E C -0.257 176.197 176.600 -0.243 0.000 0.991 422 E CA 0.318 56.406 56.400 -0.520 0.000 0.799 422 E CB -0.161 28.534 29.700 -1.676 0.000 0.748 422 E HN 0.336 nan 8.360 nan 0.000 0.449 423 Y N 2.042 122.239 120.300 -0.172 0.000 2.895 423 Y HA -0.158 4.392 4.550 0.000 0.000 0.334 423 Y C 0.444 176.307 175.900 -0.062 0.000 1.261 423 Y CA 0.878 58.938 58.100 -0.068 0.000 1.560 423 Y CB 0.137 38.607 38.460 0.017 0.000 1.253 423 Y HN 0.145 nan 8.280 nan 0.000 0.582 424 K N 3.266 123.388 120.400 -0.463 0.000 3.104 424 K HA -0.349 3.971 4.320 0.000 0.000 0.285 424 K C 0.091 176.604 176.600 -0.144 0.000 1.136 424 K CA 1.243 57.283 56.287 -0.411 0.000 0.842 424 K CB -0.990 31.149 32.500 -0.601 0.000 1.217 424 K HN 0.944 nan 8.250 nan 0.000 0.467 425 E N -1.719 118.417 120.200 -0.107 0.000 2.539 425 E HA -0.253 4.097 4.350 0.000 0.000 0.253 425 E C -0.488 176.058 176.600 -0.090 0.000 1.145 425 E CA 1.033 57.408 56.400 -0.042 0.000 0.738 425 E CB -1.124 28.588 29.700 0.021 0.000 1.308 425 E HN 0.455 nan 8.360 nan 0.000 0.409 426 M N 1.210 120.678 119.600 -0.220 0.000 2.206 426 M HA 0.129 4.609 4.480 0.000 0.000 0.353 426 M C -1.357 174.638 176.300 -0.508 0.000 1.242 426 M CA -1.925 53.041 55.300 -0.556 0.000 1.179 426 M CB 0.711 33.089 32.600 -0.370 0.000 1.374 426 M HN -0.138 nan 8.290 nan 0.000 0.427 427 P HA -0.096 nan 4.420 nan 0.000 0.222 427 P C 0.963 178.100 177.300 -0.272 0.000 1.147 427 P CA 1.236 64.127 63.100 -0.347 0.000 0.790 427 P CB 0.157 31.653 31.700 -0.340 0.000 0.780 428 G N -0.615 107.944 108.800 -0.402 0.000 3.141 428 G HA2 0.282 4.242 3.960 0.000 0.000 0.218 428 G HA3 0.282 4.242 3.960 0.000 0.000 0.218 428 G C 0.695 175.616 174.900 0.034 0.000 1.170 428 G CA 0.111 45.136 45.100 -0.126 0.000 0.769 428 G HN 0.436 nan 8.290 nan 0.000 0.546 429 G N -0.209 108.548 108.800 -0.072 0.000 2.441 429 G HA2 0.615 4.575 3.960 0.000 0.000 0.334 429 G HA3 0.615 4.575 3.960 0.000 0.000 0.334 429 G C -0.875 173.931 174.900 -0.156 0.000 1.161 429 G CA -0.754 44.345 45.100 -0.001 0.000 0.935 429 G HN 0.037 nan 8.290 nan 0.000 0.488 430 R N 1.245 121.589 120.500 -0.261 0.000 2.476 430 R HA 0.440 4.780 4.340 0.000 0.000 0.305 430 R C -1.092 175.189 176.300 -0.032 0.000 0.965 430 R CA -0.833 55.079 56.100 -0.315 0.000 0.867 430 R CB 1.612 31.429 30.300 -0.804 0.000 1.176 430 R HN 0.547 nan 8.270 nan 0.000 0.447 431 N N 1.863 120.587 118.700 0.040 0.000 2.229 431 N HA 0.287 5.027 4.740 0.000 0.000 0.298 431 N C -1.175 174.286 175.510 -0.082 0.000 1.114 431 N CA -0.810 52.239 53.050 -0.002 0.000 0.776 431 N CB 2.729 41.191 38.487 -0.042 0.000 1.501 431 N HN 0.255 nan 8.380 nan 0.000 0.474 432 L N 2.925 123.943 121.223 -0.340 0.000 2.278 432 L HA 0.427 4.767 4.340 0.000 0.000 0.287 432 L C -1.199 175.298 176.870 -0.622 0.000 1.072 432 L CA 0.086 54.693 54.840 -0.388 0.000 0.819 432 L CB -0.477 41.314 42.059 -0.446 0.000 1.176 432 L HN 0.400 nan 8.230 nan 0.000 0.435 433 Y N 4.082 123.959 120.300 -0.706 0.000 2.654 433 Y HA 0.716 5.266 4.550 0.000 0.000 0.328 433 Y C -0.155 175.325 175.900 -0.699 0.000 1.174 433 Y CA -0.689 56.929 58.100 -0.803 0.000 1.293 433 Y CB 1.194 38.929 38.460 -1.209 0.000 1.464 433 Y HN 0.594 nan 8.280 nan 0.000 0.559 434 K N 0.639 120.805 120.400 -0.389 0.000 2.570 434 K HA 0.580 4.900 4.320 0.000 0.000 0.256 434 K C -2.364 174.049 176.600 -0.312 0.000 0.939 434 K CA -0.395 55.610 56.287 -0.470 0.000 0.833 434 K CB 1.070 33.066 32.500 -0.840 0.000 1.318 434 K HN 0.648 nan 8.250 nan 0.000 0.433 435 I N 2.528 122.983 120.570 -0.193 0.000 2.530 435 I HA 0.262 4.432 4.170 0.000 0.000 0.297 435 I C -0.408 175.722 176.117 0.022 0.000 1.011 435 I CA -1.083 60.182 61.300 -0.059 0.000 1.107 435 I CB 2.200 40.223 38.000 0.038 0.000 1.285 435 I HN 0.690 nan 8.210 nan 0.000 0.436 436 Q N 4.425 124.322 119.800 0.162 0.000 2.279 436 Q HA 0.293 4.633 4.340 0.000 0.000 0.256 436 Q C 0.422 176.591 176.000 0.282 0.000 0.937 436 Q CA -0.366 55.668 55.803 0.384 0.000 0.933 436 Q CB 1.312 30.266 28.738 0.360 0.000 1.189 436 Q HN 0.665 nan 8.270 nan 0.000 0.417 437 L N 2.465 123.822 121.223 0.222 0.000 1.970 437 L HA -0.227 4.113 4.340 0.000 0.000 0.212 437 L C 2.483 179.441 176.870 0.147 0.000 1.071 437 L CA 1.929 56.923 54.840 0.257 0.000 0.751 437 L CB -1.021 41.135 42.059 0.162 0.000 0.889 437 L HN 0.811 nan 8.230 nan 0.000 0.432 438 T N -3.605 110.975 114.554 0.043 0.000 2.849 438 T HA -0.192 4.158 4.350 0.000 0.000 0.270 438 T C 0.725 175.366 174.700 -0.099 0.000 1.066 438 T CA 1.180 63.257 62.100 -0.039 0.000 1.130 438 T CB -0.191 68.660 68.868 -0.027 0.000 0.864 438 T HN 0.224 nan 8.240 nan 0.000 0.481 439 D N 0.306 120.682 120.400 -0.040 0.000 2.402 439 D HA 0.171 4.811 4.640 0.000 0.000 0.252 439 D C -0.319 176.024 176.300 0.073 0.000 1.294 439 D CA -0.601 53.376 54.000 -0.040 0.000 0.948 439 D CB 0.734 41.542 40.800 0.014 0.000 1.202 439 D HN 0.144 nan 8.370 nan 0.000 0.561 440 H N 1.843 120.930 119.070 0.029 0.000 2.562 440 H HA 0.093 4.649 4.556 0.000 0.000 0.274 440 H C 1.221 176.561 175.328 0.020 0.000 1.038 440 H CA 0.429 56.493 56.048 0.027 0.000 1.161 440 H CB 0.129 29.903 29.762 0.019 0.000 1.318 440 H HN 0.281 nan 8.280 nan 0.000 0.617 441 T N -0.984 113.639 114.554 0.114 0.000 3.039 441 T HA -0.042 4.308 4.350 0.000 0.000 0.250 441 T C 1.816 176.547 174.700 0.052 0.000 1.052 441 T CA 0.727 62.868 62.100 0.068 0.000 1.125 441 T CB -0.206 68.684 68.868 0.037 0.000 0.908 441 T HN 0.659 nan 8.240 nan 0.000 0.473 442 N N 2.480 121.214 118.700 0.057 0.000 3.085 442 N HA 0.077 4.817 4.740 0.000 0.000 0.313 442 N C 0.161 175.668 175.510 -0.004 0.000 1.277 442 N CA 0.254 53.323 53.050 0.032 0.000 1.150 442 N CB -0.849 37.678 38.487 0.067 0.000 1.437 442 N HN 0.428 nan 8.380 nan 0.000 0.558 443 K N 0.681 121.085 120.400 0.007 0.000 2.227 443 K HA 0.328 4.648 4.320 0.000 0.000 0.280 443 K C -0.590 175.990 176.600 -0.034 0.000 1.041 443 K CA -0.534 55.757 56.287 0.006 0.000 0.905 443 K CB 0.552 33.095 32.500 0.071 0.000 1.068 443 K HN 0.373 nan 8.250 nan 0.000 0.470 444 K N 4.419 124.757 120.400 -0.104 0.000 2.501 444 K HA 0.224 4.544 4.320 0.000 0.000 0.252 444 K C -1.539 174.864 176.600 -0.328 0.000 0.934 444 K CA -0.867 55.315 56.287 -0.175 0.000 0.797 444 K CB 1.699 34.077 32.500 -0.204 0.000 1.270 444 K HN 0.789 nan 8.250 nan 0.000 0.431 445 C N 5.350 124.361 119.300 -0.481 0.000 2.536 445 C HA 0.393 4.853 4.460 0.000 0.000 0.396 445 C C 1.149 175.744 174.990 -0.659 0.000 1.279 445 C CA -0.488 57.948 59.018 -0.970 0.000 2.148 445 C CB -0.769 26.297 27.740 -1.123 0.000 2.584 445 C HN 0.889 nan 8.230 nan 0.000 0.579 446 L N 4.664 125.474 121.223 -0.688 0.000 2.766 446 L HA 0.184 4.524 4.340 0.000 0.000 0.242 446 L C 1.685 178.246 176.870 -0.514 0.000 1.136 446 L CA 0.375 54.921 54.840 -0.489 0.000 0.933 446 L CB -0.241 41.543 42.059 -0.459 0.000 1.241 446 L HN 0.872 nan 8.230 nan 0.000 0.522 447 S N -3.073 112.228 115.700 -0.666 0.000 2.649 447 S HA 0.003 4.473 4.470 0.000 0.000 0.246 447 S C 1.646 175.957 174.600 -0.481 0.000 1.057 447 S CA -0.097 57.643 58.200 -0.766 0.000 1.051 447 S CB -0.207 62.124 63.200 -1.449 0.000 1.018 447 S HN 0.284 nan 8.310 nan 0.000 0.569 448 C N 3.032 121.997 119.300 -0.559 0.000 2.403 448 C HA -0.094 4.366 4.460 0.000 0.000 0.277 448 C C 2.305 177.121 174.990 -0.291 0.000 1.248 448 C CA 1.382 60.025 59.018 -0.625 0.000 1.762 448 C CB -0.972 26.069 27.740 -1.165 0.000 2.014 448 C HN 0.631 nan 8.230 nan 0.000 0.486 449 D N 0.697 120.963 120.400 -0.224 0.000 2.154 449 D HA -0.005 4.635 4.640 0.000 0.000 0.211 449 D C 2.096 178.386 176.300 -0.015 0.000 0.977 449 D CA 0.560 54.508 54.000 -0.087 0.000 0.869 449 D CB -0.870 39.877 40.800 -0.088 0.000 1.022 449 D HN 0.368 nan 8.370 nan 0.000 0.461 450 L N -0.138 121.072 121.223 -0.022 0.000 2.402 450 L HA -0.323 4.017 4.340 0.000 0.000 0.240 450 L C 0.265 177.183 176.870 0.081 0.000 1.135 450 L CA 2.034 56.905 54.840 0.050 0.000 0.830 450 L CB -0.890 41.218 42.059 0.083 0.000 0.988 450 L HN 0.076 nan 8.230 nan 0.000 0.428 451 N N -1.634 117.138 118.700 0.121 0.000 2.697 451 N HA 0.142 4.883 4.740 0.000 0.000 0.253 451 N C -1.934 173.628 175.510 0.087 0.000 1.604 451 N CA -0.648 52.452 53.050 0.083 0.000 0.772 451 N CB 0.915 39.438 38.487 0.060 0.000 1.267 451 N HN 0.119 nan 8.380 nan 0.000 0.510 452 P HA -0.238 nan 4.420 nan 0.000 0.219 452 P C 0.289 177.639 177.300 0.083 0.000 1.144 452 P CA 1.559 64.736 63.100 0.127 0.000 0.806 452 P CB 0.541 32.321 31.700 0.133 0.000 0.771 453 E N 0.343 120.573 120.200 0.049 0.000 2.030 453 E HA -0.066 4.284 4.350 0.000 0.000 0.189 453 E C 2.419 179.021 176.600 0.004 0.000 0.974 453 E CA 0.642 57.057 56.400 0.025 0.000 0.807 453 E CB -1.072 28.636 29.700 0.013 0.000 0.771 453 E HN 0.139 nan 8.360 nan 0.000 0.451 454 R N -0.031 120.460 120.500 -0.013 0.000 2.100 454 R HA 0.138 4.478 4.340 0.000 0.000 0.220 454 R C -0.251 175.997 176.300 -0.087 0.000 1.091 454 R CA 0.819 56.886 56.100 -0.054 0.000 0.986 454 R CB 0.141 30.399 30.300 -0.070 0.000 0.888 454 R HN 0.247 nan 8.270 nan 0.000 0.444 455 c N 0.975 119.525 118.600 -0.084 0.000 2.301 455 c HA 0.441 5.011 4.570 0.000 0.000 0.323 455 c C 0.268 174.290 174.090 -0.114 0.000 1.265 455 c CA -0.720 55.472 56.329 -0.228 0.000 1.503 455 c CB 1.391 43.657 42.510 -0.407 0.000 2.195 455 c HN 0.508 nan 8.230 nan 0.000 0.477 456 Q N 0.190 119.923 119.800 -0.112 0.000 2.081 456 Q HA 0.143 4.483 4.340 0.000 0.000 0.220 456 Q C -0.878 175.166 176.000 0.074 0.000 0.775 456 Q CA 0.101 55.942 55.803 0.065 0.000 0.983 456 Q CB 1.227 30.026 28.738 0.101 0.000 1.188 456 Q HN 0.819 nan 8.270 nan 0.000 0.458 457 Y N 0.754 120.935 120.300 -0.200 0.000 2.749 457 Y HA 0.350 4.901 4.550 0.000 0.000 0.343 457 Y C -1.294 174.483 175.900 -0.205 0.000 1.015 457 Y CA -0.929 57.098 58.100 -0.123 0.000 1.270 457 Y CB 0.482 38.889 38.460 -0.088 0.000 1.097 457 Y HN -0.058 nan 8.280 nan 0.000 0.571 458 Y N 1.595 121.838 120.300 -0.096 0.000 2.376 458 Y HA 0.519 5.069 4.550 0.000 0.000 0.325 458 Y C 0.491 176.352 175.900 -0.065 0.000 1.199 458 Y CA -0.392 57.668 58.100 -0.067 0.000 1.206 458 Y CB 1.790 40.189 38.460 -0.102 0.000 1.229 458 Y HN 0.433 nan 8.280 nan 0.000 0.480 459 S N 1.486 117.306 115.700 0.200 0.000 2.536 459 S HA 0.781 5.251 4.470 0.000 0.000 0.298 459 S C -1.324 173.379 174.600 0.171 0.000 1.083 459 S CA -0.608 57.691 58.200 0.166 0.000 0.995 459 S CB 1.604 64.930 63.200 0.210 0.000 1.058 459 S HN 0.611 nan 8.310 nan 0.000 0.488 460 V N 1.651 121.644 119.914 0.133 0.000 3.240 460 V HA 0.971 5.091 4.120 0.000 0.000 0.306 460 V C -0.683 175.520 176.094 0.182 0.000 1.227 460 V CA 0.066 62.438 62.300 0.120 0.000 1.047 460 V CB 2.099 33.927 31.823 0.008 0.000 1.203 460 V HN 1.450 nan 8.190 nan 0.000 0.471 461 S N 1.414 117.242 115.700 0.213 0.000 2.284 461 S HA 0.310 4.780 4.470 0.000 0.000 0.220 461 S C -1.653 173.211 174.600 0.440 0.000 0.692 461 S CA -0.584 57.810 58.200 0.324 0.000 0.895 461 S CB -0.223 63.184 63.200 0.344 0.000 1.346 461 S HN 0.612 nan 8.310 nan 0.000 0.391 462 L N 3.890 125.223 121.223 0.183 0.000 2.379 462 L HA 0.654 4.994 4.340 0.000 0.000 0.269 462 L C 1.200 177.783 176.870 -0.479 0.000 1.084 462 L CA -0.129 54.673 54.840 -0.063 0.000 0.802 462 L CB 1.353 43.266 42.059 -0.244 0.000 1.175 462 L HN 0.746 nan 8.230 nan 0.000 0.448 463 S N 0.952 116.005 115.700 -1.079 0.000 2.596 463 S HA 0.148 4.618 4.470 0.000 0.000 0.260 463 S C 1.159 175.428 174.600 -0.553 0.000 1.336 463 S CA -0.586 56.657 58.200 -1.595 0.000 0.993 463 S CB 0.490 62.806 63.200 -1.473 0.000 0.923 463 S HN 0.496 nan 8.310 nan 0.000 0.567 464 K N 1.028 121.254 120.400 -0.290 0.000 2.184 464 K HA -0.194 4.126 4.320 0.000 0.000 0.210 464 K C 0.874 177.439 176.600 -0.058 0.000 1.048 464 K CA 2.123 58.369 56.287 -0.070 0.000 0.931 464 K CB -0.488 32.022 32.500 0.017 0.000 0.718 464 K HN 0.838 nan 8.250 nan 0.000 0.465 465 E N -1.599 118.540 120.200 -0.102 0.000 2.968 465 E HA 0.316 4.666 4.350 0.000 0.000 0.202 465 E C -0.576 175.974 176.600 -0.083 0.000 0.979 465 E CA 0.261 56.630 56.400 -0.052 0.000 1.192 465 E CB 0.767 30.457 29.700 -0.017 0.000 1.059 465 E HN 0.242 nan 8.360 nan 0.000 0.470 466 A N 1.474 124.188 122.820 -0.176 0.000 2.869 466 A HA -0.302 4.018 4.320 0.000 0.000 0.280 466 A C 1.322 178.790 177.584 -0.195 0.000 1.458 466 A CA 1.549 53.448 52.037 -0.229 0.000 0.776 466 A CB -1.855 17.041 19.000 -0.172 0.000 1.028 466 A HN 0.322 nan 8.150 nan 0.000 0.547 467 K N -1.712 118.521 120.400 -0.279 0.000 2.186 467 K HA 0.179 4.499 4.320 0.000 0.000 0.202 467 K C 0.116 176.285 176.600 -0.719 0.000 1.052 467 K CA 1.218 57.234 56.287 -0.452 0.000 0.965 467 K CB 0.100 32.298 32.500 -0.504 0.000 0.746 467 K HN 0.688 nan 8.250 nan 0.000 0.457 468 Y N -0.810 119.378 120.300 -0.187 0.000 2.576 468 Y HA 0.318 4.868 4.550 0.000 0.000 0.346 468 Y C -1.098 174.778 175.900 -0.041 0.000 1.018 468 Y CA -1.414 56.618 58.100 -0.112 0.000 1.050 468 Y CB 1.733 40.191 38.460 -0.005 0.000 1.280 468 Y HN -0.037 nan 8.280 nan 0.000 0.474 469 Y N -0.535 119.902 120.300 0.229 0.000 2.441 469 Y HA 0.459 5.009 4.550 0.000 0.000 0.334 469 Y C -1.273 174.797 175.900 0.282 0.000 1.061 469 Y CA -1.458 56.742 58.100 0.168 0.000 1.032 469 Y CB 1.267 39.679 38.460 -0.080 0.000 1.266 469 Y HN 0.584 nan 8.280 nan 0.000 0.441 470 Q N 4.448 124.567 119.800 0.532 0.000 2.235 470 Q HA 0.548 4.888 4.340 0.000 0.000 0.250 470 Q C -1.663 174.545 176.000 0.345 0.000 0.909 470 Q CA -0.650 55.373 55.803 0.367 0.000 0.910 470 Q CB 1.530 30.404 28.738 0.226 0.000 1.223 470 Q HN 1.020 nan 8.270 nan 0.000 0.432 471 L N 1.890 123.296 121.223 0.305 0.000 2.334 471 L HA 0.603 4.943 4.340 0.000 0.000 0.276 471 L C 0.221 177.251 176.870 0.268 0.000 1.014 471 L CA -0.858 54.136 54.840 0.256 0.000 0.815 471 L CB 2.085 44.234 42.059 0.151 0.000 1.268 471 L HN 0.778 nan 8.230 nan 0.000 0.428 472 G N 1.367 110.309 108.800 0.236 0.000 2.671 472 G HA2 0.328 4.288 3.960 0.000 0.000 0.318 472 G HA3 0.328 4.288 3.960 0.000 0.000 0.318 472 G C -0.800 174.005 174.900 -0.158 0.000 1.250 472 G CA -0.290 44.792 45.100 -0.030 0.000 1.028 472 G HN 0.665 nan 8.290 nan 0.000 0.501 473 c N 4.998 123.339 118.600 -0.432 0.000 2.373 473 c HA 0.578 5.149 4.570 0.000 0.000 0.354 473 c C 1.108 174.974 174.090 -0.372 0.000 1.249 473 c CA -0.820 55.203 56.329 -0.509 0.000 1.784 473 c CB -0.126 42.104 42.510 -0.466 0.000 2.408 473 c HN 0.732 nan 8.230 nan 0.000 0.542 474 R N 3.968 124.355 120.500 -0.188 0.000 2.365 474 R HA 0.225 4.565 4.340 0.000 0.000 0.223 474 R C 1.341 177.626 176.300 -0.025 0.000 0.899 474 R CA 0.330 56.414 56.100 -0.026 0.000 1.059 474 R CB -1.082 29.286 30.300 0.112 0.000 1.086 474 R HN 0.900 nan 8.270 nan 0.000 0.522 475 G N 2.967 111.700 108.800 -0.111 0.000 3.026 475 G HA2 -0.104 3.856 3.960 0.000 0.000 0.232 475 G HA3 -0.104 3.856 3.960 0.000 0.000 0.232 475 G C -1.458 173.425 174.900 -0.028 0.000 1.241 475 G CA -0.583 44.466 45.100 -0.085 0.000 0.858 475 G HN 0.001 nan 8.290 nan 0.000 0.592 476 P HA -0.226 nan 4.420 nan 0.000 0.229 476 P C 1.575 178.901 177.300 0.044 0.000 1.147 476 P CA 2.055 65.177 63.100 0.037 0.000 0.949 476 P CB -0.142 31.570 31.700 0.020 0.000 0.786 477 G N -1.440 107.321 108.800 -0.065 0.000 2.489 477 G HA2 0.317 4.278 3.960 0.000 0.000 0.271 477 G HA3 0.317 4.278 3.960 0.000 0.000 0.271 477 G C -0.485 174.154 174.900 -0.434 0.000 1.427 477 G CA -0.632 44.353 45.100 -0.191 0.000 1.057 477 G HN 0.067 nan 8.290 nan 0.000 0.532 478 L N 2.215 123.104 121.223 -0.558 0.000 2.410 478 L HA 0.186 4.526 4.340 0.000 0.000 0.273 478 L C -1.582 175.081 176.870 -0.345 0.000 1.152 478 L CA -1.355 53.072 54.840 -0.690 0.000 0.855 478 L CB 0.725 42.499 42.059 -0.474 0.000 1.129 478 L HN 0.330 nan 8.230 nan 0.000 0.463 479 P HA -0.087 nan 4.420 nan 0.000 0.257 479 P C -0.796 176.388 177.300 -0.193 0.000 1.162 479 P CA 0.023 63.024 63.100 -0.165 0.000 0.762 479 P CB 0.724 32.451 31.700 0.045 0.000 0.753 480 L N 6.294 127.315 121.223 -0.336 0.000 2.319 480 L HA 0.428 4.768 4.340 0.000 0.000 0.281 480 L C -1.225 175.452 176.870 -0.322 0.000 1.005 480 L CA -0.914 53.796 54.840 -0.217 0.000 0.828 480 L CB 0.653 42.639 42.059 -0.123 0.000 1.227 480 L HN 0.178 nan 8.230 nan 0.000 0.415 481 Y N 2.888 123.202 120.300 0.024 0.000 2.331 481 Y HA 0.735 5.285 4.550 0.000 0.000 0.338 481 Y C 0.489 176.361 175.900 -0.046 0.000 0.992 481 Y CA -0.507 57.608 58.100 0.025 0.000 1.121 481 Y CB 2.005 40.483 38.460 0.030 0.000 1.184 481 Y HN 0.655 nan 8.280 nan 0.000 0.469 482 T N 1.936 116.576 114.554 0.143 0.000 2.923 482 T HA 0.678 5.028 4.350 0.000 0.000 0.311 482 T C -1.173 173.614 174.700 0.144 0.000 1.183 482 T CA -1.001 61.134 62.100 0.059 0.000 1.020 482 T CB 1.316 70.243 68.868 0.099 0.000 1.165 482 T HN 0.713 nan 8.240 nan 0.000 0.482 483 L N 1.003 122.219 121.223 -0.012 0.000 2.334 483 L HA 0.937 5.277 4.340 0.000 0.000 0.273 483 L C -1.417 175.427 176.870 -0.043 0.000 1.013 483 L CA -0.880 54.025 54.840 0.108 0.000 0.816 483 L CB 1.407 43.491 42.059 0.041 0.000 1.278 483 L HN 0.813 nan 8.230 nan 0.000 0.431 484 H N 1.086 119.993 119.070 -0.272 0.000 2.747 484 H HA 0.514 5.071 4.556 0.000 0.000 0.371 484 H C -0.876 174.266 175.328 -0.310 0.000 1.161 484 H CA -0.865 54.932 56.048 -0.418 0.000 1.167 484 H CB 1.414 30.671 29.762 -0.841 0.000 1.732 484 H HN 0.678 nan 8.280 nan 0.000 0.544 485 R N 0.595 121.073 120.500 -0.037 0.000 2.216 485 R HA 0.313 4.653 4.340 0.000 0.000 0.332 485 R C 0.693 176.927 176.300 -0.110 0.000 1.056 485 R CA -0.140 55.961 56.100 0.001 0.000 0.901 485 R CB 0.961 31.284 30.300 0.038 0.000 1.039 485 R HN 0.561 nan 8.270 nan 0.000 0.456 486 S N 2.886 118.505 115.700 -0.136 0.000 2.389 486 S HA -0.229 4.241 4.470 0.000 0.000 0.231 486 S C 1.145 175.824 174.600 0.132 0.000 1.052 486 S CA 2.330 60.592 58.200 0.103 0.000 1.053 486 S CB -0.324 62.917 63.200 0.067 0.000 0.886 486 S HN 0.870 nan 8.310 nan 0.000 0.456 487 T N 1.564 116.135 114.554 0.028 0.000 2.565 487 T HA -0.215 4.135 4.350 0.000 0.000 0.265 487 T C 1.281 176.022 174.700 0.068 0.000 1.082 487 T CA 1.968 64.099 62.100 0.052 0.000 1.173 487 T CB -0.672 68.198 68.868 0.003 0.000 0.864 487 T HN 0.867 nan 8.240 nan 0.000 0.425 488 D N -0.466 119.961 120.400 0.044 0.000 2.469 488 D HA 0.271 4.911 4.640 0.000 0.000 0.213 488 D C 0.686 177.015 176.300 0.049 0.000 1.135 488 D CA -0.140 53.884 54.000 0.040 0.000 0.834 488 D CB -0.075 40.738 40.800 0.022 0.000 1.009 488 D HN 0.277 nan 8.370 nan 0.000 0.507 489 Q N -0.646 119.199 119.800 0.075 0.000 2.324 489 Q HA -0.249 4.091 4.340 0.000 0.000 0.200 489 Q C -0.059 175.990 176.000 0.082 0.000 0.645 489 Q CA 1.289 57.159 55.803 0.111 0.000 1.377 489 Q CB -1.839 26.980 28.738 0.134 0.000 1.486 489 Q HN 0.502 nan 8.270 nan 0.000 0.796 490 K N 2.087 122.498 120.400 0.018 0.000 2.440 490 K HA -0.090 4.230 4.320 0.000 0.000 0.275 490 K C -0.174 176.360 176.600 -0.112 0.000 1.082 490 K CA 0.477 56.749 56.287 -0.025 0.000 1.135 490 K CB 0.239 32.725 32.500 -0.023 0.000 0.864 490 K HN 0.257 nan 8.250 nan 0.000 0.479 491 E N 6.050 126.129 120.200 -0.203 0.000 2.161 491 E HA -0.058 4.292 4.350 0.000 0.000 0.263 491 E C 0.793 177.213 176.600 -0.301 0.000 1.185 491 E CA -0.224 55.867 56.400 -0.515 0.000 0.938 491 E CB 0.268 29.675 29.700 -0.488 0.000 1.023 491 E HN 0.660 nan 8.360 nan 0.000 0.433 492 L N 4.490 125.560 121.223 -0.255 0.000 1.990 492 L HA -0.164 4.176 4.340 0.000 0.000 0.213 492 L C 1.400 178.182 176.870 -0.146 0.000 1.072 492 L CA 1.533 56.285 54.840 -0.147 0.000 0.755 492 L CB -0.667 41.330 42.059 -0.104 0.000 0.889 492 L HN 0.634 nan 8.230 nan 0.000 0.432 493 R N -2.315 118.073 120.500 -0.186 0.000 2.756 493 R HA 0.509 4.849 4.340 0.000 0.000 0.273 493 R C -1.587 174.603 176.300 -0.183 0.000 1.030 493 R CA -0.966 55.041 56.100 -0.156 0.000 0.887 493 R CB 1.636 31.867 30.300 -0.115 0.000 1.274 493 R HN -0.283 nan 8.270 nan 0.000 0.461 494 V N 2.598 122.422 119.914 -0.151 0.000 2.333 494 V HA 0.212 4.332 4.120 0.000 0.000 0.274 494 V C 1.282 177.249 176.094 -0.211 0.000 1.028 494 V CA -0.525 61.690 62.300 -0.143 0.000 0.851 494 V CB 1.123 32.894 31.823 -0.087 0.000 1.000 494 V HN 0.630 nan 8.190 nan 0.000 0.456 495 L N 2.754 123.782 121.223 -0.325 0.000 2.156 495 L HA 0.149 4.489 4.340 0.000 0.000 0.208 495 L C 0.785 177.396 176.870 -0.432 0.000 1.095 495 L CA 1.004 55.431 54.840 -0.687 0.000 0.770 495 L CB 0.134 41.468 42.059 -1.210 0.000 0.914 495 L HN 0.697 nan 8.230 nan 0.000 0.439 496 E N 0.572 120.701 120.200 -0.119 0.000 2.522 496 E HA 0.121 4.471 4.350 0.000 0.000 0.315 496 E C -1.878 174.792 176.600 0.116 0.000 0.917 496 E CA -0.608 55.825 56.400 0.055 0.000 0.796 496 E CB 0.861 30.665 29.700 0.172 0.000 1.323 496 E HN 0.159 nan 8.360 nan 0.000 0.397 497 D N 2.630 123.064 120.400 0.057 0.000 2.350 497 D HA 0.277 4.917 4.640 0.000 0.000 0.245 497 D C -0.534 175.789 176.300 0.038 0.000 1.036 497 D CA -0.794 53.223 54.000 0.028 0.000 0.848 497 D CB 1.220 42.019 40.800 -0.003 0.000 1.307 497 D HN 0.375 nan 8.370 nan 0.000 0.469 498 N N 0.495 119.204 118.700 0.015 0.000 3.259 498 N HA 0.015 4.755 4.740 0.000 0.000 0.308 498 N C 1.349 176.863 175.510 0.007 0.000 1.334 498 N CA -0.151 52.913 53.050 0.023 0.000 1.202 498 N CB 0.369 38.862 38.487 0.010 0.000 1.485 498 N HN 0.412 nan 8.380 nan 0.000 0.549 499 S N -0.455 115.255 115.700 0.015 0.000 2.370 499 S HA -0.256 4.214 4.470 0.000 0.000 0.226 499 S C 2.133 176.751 174.600 0.031 0.000 1.033 499 S CA 0.965 59.173 58.200 0.014 0.000 1.011 499 S CB -0.319 62.891 63.200 0.016 0.000 0.852 499 S HN 0.433 nan 8.310 nan 0.000 0.457 500 A N 2.290 125.139 122.820 0.049 0.000 1.858 500 A HA 0.030 4.350 4.320 0.000 0.000 0.216 500 A C 2.298 179.935 177.584 0.088 0.000 1.190 500 A CA 1.713 53.789 52.037 0.067 0.000 0.617 500 A CB -1.088 17.956 19.000 0.073 0.000 0.827 500 A HN 0.553 nan 8.150 nan 0.000 0.443 501 L N 0.269 121.548 121.223 0.093 0.000 2.012 501 L HA -0.208 4.132 4.340 0.000 0.000 0.210 501 L C 2.056 178.972 176.870 0.076 0.000 1.073 501 L CA 2.850 57.764 54.840 0.123 0.000 0.748 501 L CB -0.679 41.445 42.059 0.108 0.000 0.891 501 L HN 0.511 nan 8.230 nan 0.000 0.431 502 D N -0.141 120.271 120.400 0.020 0.000 2.104 502 D HA -0.268 4.372 4.640 0.000 0.000 0.194 502 D C 2.188 178.498 176.300 0.017 0.000 0.994 502 D CA 2.189 56.181 54.000 -0.013 0.000 0.830 502 D CB 0.221 41.003 40.800 -0.031 0.000 0.959 502 D HN 0.466 nan 8.370 nan 0.000 0.452 503 K N 0.723 121.147 120.400 0.040 0.000 2.063 503 K HA -0.116 4.204 4.320 0.000 0.000 0.208 503 K C 2.360 179.008 176.600 0.080 0.000 1.048 503 K CA 1.817 58.135 56.287 0.052 0.000 0.928 503 K CB -0.895 31.638 32.500 0.055 0.000 0.713 503 K HN 0.319 nan 8.250 nan 0.000 0.442 504 M N -0.079 119.597 119.600 0.126 0.000 2.156 504 M HA 0.108 4.588 4.480 0.000 0.000 0.264 504 M C 2.317 178.711 176.300 0.155 0.000 1.067 504 M CA 1.099 56.527 55.300 0.215 0.000 1.131 504 M CB -0.212 32.617 32.600 0.382 0.000 1.368 504 M HN 0.187 nan 8.290 nan 0.000 0.416 505 L N 0.345 121.585 121.223 0.028 0.000 2.549 505 L HA -0.169 4.171 4.340 0.000 0.000 0.229 505 L C 2.487 179.325 176.870 -0.053 0.000 1.158 505 L CA 0.310 55.076 54.840 -0.124 0.000 0.842 505 L CB -0.597 41.372 42.059 -0.150 0.000 0.952 505 L HN 0.380 nan 8.230 nan 0.000 0.452 506 Q N 0.238 120.042 119.800 0.006 0.000 2.050 506 Q HA -0.149 4.191 4.340 0.000 0.000 0.202 506 Q C 0.970 176.988 176.000 0.030 0.000 0.980 506 Q CA 1.263 57.075 55.803 0.015 0.000 0.840 506 Q CB -0.219 28.537 28.738 0.029 0.000 0.898 506 Q HN 0.555 nan 8.270 nan 0.000 0.424 507 D N 0.563 120.998 120.400 0.058 0.000 2.400 507 D HA 0.092 4.732 4.640 0.000 0.000 0.243 507 D C -0.217 176.132 176.300 0.081 0.000 1.184 507 D CA 0.118 54.163 54.000 0.076 0.000 0.853 507 D CB 0.367 41.228 40.800 0.102 0.000 0.944 507 D HN -0.065 nan 8.370 nan 0.000 0.501 508 V N 0.342 120.278 119.914 0.037 0.000 2.841 508 V HA 0.158 4.279 4.120 0.000 0.000 0.310 508 V C -0.019 176.072 176.094 -0.006 0.000 1.090 508 V CA -0.998 61.318 62.300 0.027 0.000 0.930 508 V CB 2.671 34.468 31.823 -0.043 0.000 1.014 508 V HN -0.131 nan 8.190 nan 0.000 0.425 509 Q N 3.843 123.650 119.800 0.011 0.000 2.844 509 Q HA 0.356 4.696 4.340 0.000 0.000 0.235 509 Q C -0.387 175.564 176.000 -0.082 0.000 1.336 509 Q CA -0.256 55.521 55.803 -0.044 0.000 1.026 509 Q CB 0.428 29.153 28.738 -0.022 0.000 1.513 509 Q HN 0.549 nan 8.270 nan 0.000 0.577 510 M N 3.271 122.805 119.600 -0.109 0.000 2.243 510 M HA 0.261 4.741 4.480 0.000 0.000 0.341 510 M C -1.927 174.283 176.300 -0.150 0.000 1.130 510 M CA -1.801 53.416 55.300 -0.140 0.000 1.162 510 M CB -0.178 32.337 32.600 -0.142 0.000 1.497 510 M HN 0.254 nan 8.290 nan 0.000 0.456 511 P HA 0.292 nan 4.420 nan 0.000 0.280 511 P C -0.804 176.405 177.300 -0.151 0.000 1.272 511 P CA -0.396 62.601 63.100 -0.172 0.000 0.819 511 P CB 0.880 32.467 31.700 -0.188 0.000 1.122 512 S N -0.229 115.376 115.700 -0.159 0.000 2.745 512 S HA 0.594 5.064 4.470 0.000 0.000 0.292 512 S C -0.376 174.139 174.600 -0.142 0.000 1.127 512 S CA -0.682 57.443 58.200 -0.124 0.000 1.007 512 S CB 1.215 64.350 63.200 -0.108 0.000 1.165 512 S HN 0.554 nan 8.310 nan 0.000 0.544 513 K N 0.403 120.742 120.400 -0.102 0.000 2.601 513 K HA 0.331 4.651 4.320 0.000 0.000 0.249 513 K C -1.517 175.038 176.600 -0.074 0.000 0.966 513 K CA -0.408 55.822 56.287 -0.096 0.000 0.827 513 K CB 1.397 33.858 32.500 -0.065 0.000 1.178 513 K HN 0.694 nan 8.250 nan 0.000 0.437 514 K N 4.780 125.125 120.400 -0.093 0.000 2.183 514 K HA 0.287 4.607 4.320 0.000 0.000 0.274 514 K C -1.271 175.281 176.600 -0.081 0.000 1.009 514 K CA -0.751 55.491 56.287 -0.075 0.000 0.888 514 K CB 0.877 33.329 32.500 -0.080 0.000 1.078 514 K HN 0.444 nan 8.250 nan 0.000 0.459 515 L N 5.023 126.219 121.223 -0.044 0.000 2.384 515 L HA 0.407 4.747 4.340 0.000 0.000 0.261 515 L C -1.079 175.802 176.870 0.018 0.000 1.024 515 L CA 0.031 54.880 54.840 0.015 0.000 0.899 515 L CB 0.677 42.826 42.059 0.149 0.000 1.243 515 L HN 0.731 nan 8.230 nan 0.000 0.449 516 D N 2.309 122.466 120.400 -0.405 0.000 2.784 516 D HA 0.532 5.172 4.640 0.000 0.000 0.256 516 D C -1.311 174.540 176.300 -0.749 0.000 1.129 516 D CA -0.093 53.575 54.000 -0.553 0.000 1.102 516 D CB 2.213 42.731 40.800 -0.470 0.000 1.330 516 D HN 0.207 nan 8.370 nan 0.000 0.626 517 F N -0.291 119.241 119.950 -0.695 0.000 2.613 517 F HA 0.604 5.131 4.527 0.000 0.000 0.310 517 F C -1.399 174.486 175.800 0.141 0.000 1.085 517 F CA -0.991 56.768 58.000 -0.401 0.000 0.945 517 F CB 1.220 39.481 39.000 -1.232 0.000 1.298 517 F HN 0.069 nan 8.300 nan 0.000 0.455 518 I N 2.283 123.147 120.570 0.491 0.000 2.910 518 I HA 0.701 4.871 4.170 0.000 0.000 0.310 518 I C -1.398 174.988 176.117 0.448 0.000 1.043 518 I CA -1.282 60.194 61.300 0.295 0.000 1.053 518 I CB 2.271 40.367 38.000 0.160 0.000 1.242 518 I HN 0.725 nan 8.210 nan 0.000 0.452 519 V N 7.104 127.204 119.914 0.310 0.000 2.444 519 V HA 0.557 4.677 4.120 0.000 0.000 0.294 519 V C -1.219 175.039 176.094 0.273 0.000 1.022 519 V CA -0.396 62.111 62.300 0.345 0.000 0.850 519 V CB 1.662 33.653 31.823 0.281 0.000 0.992 519 V HN 0.560 nan 8.190 nan 0.000 0.426 520 L N 5.639 127.098 121.223 0.392 0.000 2.342 520 L HA 0.633 4.973 4.340 0.000 0.000 0.271 520 L C 0.758 177.791 176.870 0.272 0.000 1.008 520 L CA -1.040 53.959 54.840 0.264 0.000 0.818 520 L CB 1.752 43.925 42.059 0.191 0.000 1.296 520 L HN 0.671 nan 8.230 nan 0.000 0.427 521 N N 2.708 121.503 118.700 0.158 0.000 2.696 521 N HA -0.237 4.503 4.740 0.000 0.000 0.254 521 N C -0.195 175.399 175.510 0.140 0.000 0.988 521 N CA 1.375 54.504 53.050 0.133 0.000 0.775 521 N CB -0.638 37.928 38.487 0.131 0.000 0.933 521 N HN 0.781 nan 8.380 nan 0.000 0.539 522 E N -3.664 116.615 120.200 0.132 0.000 2.957 522 E HA -0.181 4.169 4.350 0.000 0.000 0.287 522 E C -0.662 175.993 176.600 0.091 0.000 0.976 522 E CA 1.050 57.511 56.400 0.103 0.000 0.907 522 E CB -1.851 27.893 29.700 0.073 0.000 1.456 522 E HN 0.450 nan 8.360 nan 0.000 0.421 523 T N 0.263 114.893 114.554 0.127 0.000 2.912 523 T HA 0.421 4.771 4.350 0.000 0.000 0.299 523 T C 0.058 174.704 174.700 -0.091 0.000 1.052 523 T CA -0.827 61.259 62.100 -0.024 0.000 0.996 523 T CB 1.958 70.764 68.868 -0.103 0.000 1.070 523 T HN 0.026 nan 8.240 nan 0.000 0.465 524 R N 1.279 121.648 120.500 -0.218 0.000 2.543 524 R HA 0.440 4.780 4.340 0.000 0.000 0.277 524 R C -1.085 175.004 176.300 -0.353 0.000 1.074 524 R CA 0.088 56.079 56.100 -0.182 0.000 1.076 524 R CB 0.394 30.471 30.300 -0.373 0.000 0.993 524 R HN 0.519 nan 8.270 nan 0.000 0.459 525 F N 1.908 122.026 119.950 0.281 0.000 2.671 525 F HA 0.211 4.738 4.527 0.000 0.000 0.332 525 F C -0.715 175.321 175.800 0.393 0.000 1.189 525 F CA -0.778 57.398 58.000 0.294 0.000 0.988 525 F CB 0.970 40.185 39.000 0.359 0.000 1.258 525 F HN 0.413 nan 8.300 nan 0.000 0.471 526 W N 4.001 125.486 121.300 0.308 0.000 2.202 526 W HA 0.437 5.097 4.660 0.000 0.000 0.332 526 W C -0.320 176.444 176.519 0.408 0.000 1.263 526 W CA -0.426 57.127 57.345 0.348 0.000 1.223 526 W CB 0.378 29.948 29.460 0.182 0.000 1.128 526 W HN 0.447 nan 8.180 nan 0.000 0.573 527 Y N -0.511 120.135 120.300 0.578 0.000 2.655 527 Y HA 0.692 5.242 4.550 0.000 0.000 0.336 527 Y C -1.084 175.054 175.900 0.396 0.000 1.154 527 Y CA -1.888 56.551 58.100 0.566 0.000 1.055 527 Y CB 1.187 40.152 38.460 0.842 0.000 1.295 527 Y HN 0.545 nan 8.280 nan 0.000 0.465 528 Q N 1.735 121.761 119.800 0.377 0.000 2.379 528 Q HA 0.744 5.084 4.340 0.000 0.000 0.278 528 Q C -1.905 174.191 176.000 0.161 0.000 1.068 528 Q CA -1.133 54.753 55.803 0.138 0.000 0.816 528 Q CB 3.301 32.108 28.738 0.116 0.000 1.387 528 Q HN 0.829 nan 8.270 nan 0.000 0.413 529 M N 2.554 122.174 119.600 0.032 0.000 2.263 529 M HA 0.439 4.920 4.480 0.000 0.000 0.295 529 M C -1.193 175.018 176.300 -0.149 0.000 1.028 529 M CA -0.947 54.311 55.300 -0.071 0.000 0.921 529 M CB 2.133 34.661 32.600 -0.119 0.000 1.601 529 M HN 0.599 nan 8.290 nan 0.000 0.440 530 I N 5.176 125.650 120.570 -0.160 0.000 2.281 530 I HA 0.297 4.467 4.170 0.000 0.000 0.293 530 I C -0.300 175.636 176.117 -0.302 0.000 1.085 530 I CA -0.265 60.919 61.300 -0.193 0.000 1.257 530 I CB -0.152 37.759 38.000 -0.148 0.000 1.430 530 I HN 0.648 nan 8.210 nan 0.000 0.489 531 L N 8.815 129.802 121.223 -0.394 0.000 2.290 531 L HA 0.355 4.695 4.340 0.000 0.000 0.284 531 L C -1.875 174.742 176.870 -0.422 0.000 1.078 531 L CA -1.724 52.745 54.840 -0.619 0.000 0.815 531 L CB 0.753 42.291 42.059 -0.869 0.000 1.162 531 L HN 0.293 nan 8.230 nan 0.000 0.435 532 P HA 0.095 nan 4.420 nan 0.000 0.269 532 P C -2.343 174.868 177.300 -0.147 0.000 1.209 532 P CA -0.935 62.030 63.100 -0.224 0.000 0.776 532 P CB 0.320 31.924 31.700 -0.160 0.000 0.876 533 P HA -0.254 nan 4.420 nan 0.000 0.244 533 P C 0.885 178.056 177.300 -0.216 0.000 0.880 533 P CA 1.586 64.532 63.100 -0.257 0.000 1.097 533 P CB -0.771 30.739 31.700 -0.316 0.000 0.731 534 H N -1.348 117.754 119.070 0.054 0.000 4.196 534 H HA -0.014 4.542 4.556 0.000 0.000 0.236 534 H C 0.429 175.813 175.328 0.093 0.000 1.023 534 H CA -0.139 55.943 56.048 0.057 0.000 1.251 534 H CB -1.974 27.811 29.762 0.040 0.000 1.343 534 H HN 0.116 nan 8.280 nan 0.000 0.815 535 F N 3.031 122.957 119.950 -0.040 0.000 2.473 535 F HA -0.116 4.411 4.527 0.000 0.000 0.405 535 F C 0.365 176.153 175.800 -0.019 0.000 0.988 535 F CA -0.512 57.420 58.000 -0.114 0.000 1.096 535 F CB 0.135 38.937 39.000 -0.330 0.000 0.944 535 F HN 0.109 nan 8.300 nan 0.000 0.530 536 D N 5.544 125.717 120.400 -0.379 0.000 2.443 536 D HA 0.125 4.765 4.640 0.000 0.000 0.221 536 D C 0.981 176.889 176.300 -0.654 0.000 1.097 536 D CA -0.435 53.319 54.000 -0.411 0.000 0.865 536 D CB 1.111 41.843 40.800 -0.114 0.000 1.034 536 D HN 0.621 nan 8.370 nan 0.000 0.511 537 K N 1.729 121.609 120.400 -0.866 0.000 2.366 537 K HA -0.206 4.114 4.320 0.000 0.000 0.202 537 K C 1.548 178.088 176.600 -0.100 0.000 1.045 537 K CA 1.724 57.659 56.287 -0.586 0.000 0.934 537 K CB 0.143 32.455 32.500 -0.313 0.000 0.746 537 K HN 0.452 nan 8.250 nan 0.000 0.470 538 S N -0.724 114.913 115.700 -0.104 0.000 2.421 538 S HA 0.044 4.514 4.470 0.000 0.000 0.224 538 S C 0.700 175.297 174.600 -0.005 0.000 1.035 538 S CA -0.129 58.058 58.200 -0.021 0.000 0.953 538 S CB 0.092 63.264 63.200 -0.046 0.000 0.810 538 S HN 0.110 nan 8.310 nan 0.000 0.497 539 K N 1.039 121.412 120.400 -0.046 0.000 2.143 539 K HA 0.282 4.603 4.320 0.000 0.000 0.239 539 K C -0.323 176.238 176.600 -0.065 0.000 1.048 539 K CA -0.079 56.131 56.287 -0.129 0.000 0.867 539 K CB 0.237 32.550 32.500 -0.313 0.000 1.088 539 K HN 0.083 nan 8.250 nan 0.000 0.510 540 K N 1.525 121.799 120.400 -0.209 0.000 2.323 540 K HA 0.315 4.635 4.320 0.000 0.000 0.259 540 K C -1.131 175.330 176.600 -0.230 0.000 0.947 540 K CA -0.474 55.769 56.287 -0.074 0.000 0.819 540 K CB 1.205 33.665 32.500 -0.066 0.000 1.109 540 K HN 0.402 nan 8.250 nan 0.000 0.429 541 Y N 1.780 122.125 120.300 0.074 0.000 2.562 541 Y HA 0.388 4.938 4.550 0.000 0.000 0.343 541 Y C -1.992 173.844 175.900 -0.107 0.000 1.025 541 Y CA -2.497 55.605 58.100 0.003 0.000 1.082 541 Y CB 1.291 39.801 38.460 0.084 0.000 1.264 541 Y HN 0.412 nan 8.280 nan 0.000 0.478 542 P HA 0.193 nan 4.420 nan 0.000 0.279 542 P C -1.195 175.983 177.300 -0.203 0.000 1.239 542 P CA -0.211 62.633 63.100 -0.427 0.000 0.789 542 P CB 1.730 32.777 31.700 -1.088 0.000 0.933 543 L N 4.006 125.177 121.223 -0.088 0.000 2.329 543 L HA 0.595 4.935 4.340 0.000 0.000 0.279 543 L C -1.179 175.856 176.870 0.275 0.000 1.014 543 L CA -0.850 54.036 54.840 0.076 0.000 0.814 543 L CB 1.430 43.527 42.059 0.064 0.000 1.257 543 L HN 0.182 nan 8.230 nan 0.000 0.424 544 L N 6.033 127.416 121.223 0.265 0.000 2.372 544 L HA 0.558 4.898 4.340 0.000 0.000 0.273 544 L C -1.169 175.917 176.870 0.360 0.000 0.989 544 L CA -0.275 54.785 54.840 0.368 0.000 0.841 544 L CB 1.160 43.404 42.059 0.309 0.000 1.225 544 L HN 0.422 nan 8.230 nan 0.000 0.414 545 I N 3.979 124.817 120.570 0.447 0.000 2.441 545 I HA 0.230 4.400 4.170 0.000 0.000 0.287 545 I C 0.093 176.461 176.117 0.418 0.000 1.049 545 I CA 0.056 61.611 61.300 0.424 0.000 1.381 545 I CB 1.050 39.341 38.000 0.486 0.000 1.409 545 I HN 0.626 nan 8.210 nan 0.000 0.523 546 D N 7.099 127.709 120.400 0.351 0.000 2.303 546 D HA 0.475 5.115 4.640 0.000 0.000 0.236 546 D C -0.789 175.600 176.300 0.147 0.000 1.068 546 D CA -0.172 53.978 54.000 0.251 0.000 0.830 546 D CB 1.637 42.640 40.800 0.339 0.000 1.109 546 D HN 0.260 nan 8.370 nan 0.000 0.496 547 V N 2.257 122.174 119.914 0.006 0.000 3.074 547 V HA 0.610 4.730 4.120 0.000 0.000 0.314 547 V C -0.625 175.566 176.094 0.162 0.000 1.117 547 V CA -0.682 61.681 62.300 0.106 0.000 1.014 547 V CB 1.703 33.588 31.823 0.103 0.000 1.057 547 V HN 0.693 nan 8.190 nan 0.000 0.438 548 Y N 1.608 121.981 120.300 0.121 0.000 2.975 548 Y HA 0.558 5.108 4.550 0.000 0.000 0.127 548 Y C 1.479 177.523 175.900 0.241 0.000 0.925 548 Y CA 1.342 59.550 58.100 0.179 0.000 1.894 548 Y CB -0.230 38.302 38.460 0.121 0.000 1.270 548 Y HN 1.471 nan 8.280 nan 0.000 0.235 549 A N 1.320 124.282 122.820 0.238 0.000 2.822 549 A HA -0.064 4.256 4.320 0.000 0.000 0.287 549 A C 0.665 178.102 177.584 -0.244 0.000 1.479 549 A CA 1.140 53.233 52.037 0.094 0.000 0.779 549 A CB -2.223 16.873 19.000 0.160 0.000 1.022 549 A HN 1.112 nan 8.150 nan 0.000 0.532 550 G N -1.111 107.325 108.800 -0.607 0.000 2.547 550 G HA2 0.572 4.532 3.960 0.000 0.000 0.291 550 G HA3 0.572 4.532 3.960 0.000 0.000 0.291 550 G C -2.427 172.151 174.900 -0.537 0.000 1.211 550 G CA -1.375 42.894 45.100 -1.385 0.000 0.950 550 G HN 0.286 nan 8.290 nan 0.000 0.504 551 P HA 0.079 nan 4.420 nan 0.000 0.265 551 P C 0.581 177.763 177.300 -0.197 0.000 1.193 551 P CA 0.171 62.993 63.100 -0.463 0.000 0.765 551 P CB 0.730 31.704 31.700 -1.211 0.000 0.823 552 C N 2.606 121.825 119.300 -0.136 0.000 4.356 552 C HA -0.148 4.312 4.460 0.000 0.000 0.296 552 C C 0.882 175.801 174.990 -0.118 0.000 1.424 552 C CA 1.091 59.966 59.018 -0.238 0.000 2.000 552 C CB -2.777 24.692 27.740 -0.452 0.000 1.262 552 C HN 0.781 nan 8.230 nan 0.000 0.789 553 S N -0.244 115.483 115.700 0.044 0.000 2.730 553 S HA 0.688 5.158 4.470 0.000 0.000 0.284 553 S C -0.675 174.037 174.600 0.188 0.000 1.153 553 S CA -0.083 58.232 58.200 0.192 0.000 0.995 553 S CB 1.738 65.147 63.200 0.349 0.000 1.058 553 S HN 0.833 nan 8.310 nan 0.000 0.552 554 Q N -0.101 119.835 119.800 0.227 0.000 2.526 554 Q HA 0.297 4.637 4.340 0.000 0.000 0.238 554 Q C -0.680 175.427 176.000 0.177 0.000 0.866 554 Q CA -0.577 55.363 55.803 0.227 0.000 0.801 554 Q CB 0.979 29.914 28.738 0.329 0.000 1.380 554 Q HN 0.680 nan 8.270 nan 0.000 0.446 555 K N 0.595 121.101 120.400 0.177 0.000 2.356 555 K HA 0.263 4.583 4.320 0.000 0.000 0.195 555 K C 0.069 176.763 176.600 0.156 0.000 1.037 555 K CA 0.420 56.803 56.287 0.161 0.000 1.014 555 K CB 1.029 33.650 32.500 0.202 0.000 0.815 555 K HN 0.479 nan 8.250 nan 0.000 0.507 556 A N 2.876 125.804 122.820 0.179 0.000 2.322 556 A HA 0.384 4.704 4.320 0.000 0.000 0.327 556 A C -0.846 176.820 177.584 0.136 0.000 1.394 556 A CA -0.560 51.590 52.037 0.189 0.000 0.921 556 A CB -0.039 19.136 19.000 0.290 0.000 1.153 556 A HN 0.268 nan 8.150 nan 0.000 0.523 557 D N 0.237 120.680 120.400 0.073 0.000 2.596 557 D HA 0.523 5.163 4.640 0.000 0.000 0.262 557 D C -0.060 176.230 176.300 -0.017 0.000 1.210 557 D CA -0.045 53.979 54.000 0.039 0.000 0.873 557 D CB 1.299 42.110 40.800 0.017 0.000 1.408 557 D HN 0.271 nan 8.370 nan 0.000 0.441 558 A N -0.285 122.553 122.820 0.030 0.000 2.648 558 A HA 0.620 4.940 4.320 0.000 0.000 0.269 558 A C 0.390 177.916 177.584 -0.097 0.000 1.392 558 A CA 0.084 52.138 52.037 0.028 0.000 1.019 558 A CB -1.176 17.901 19.000 0.129 0.000 1.009 558 A HN 0.717 nan 8.150 nan 0.000 0.565 559 A N -0.326 122.295 122.820 -0.332 0.000 2.312 559 A HA 0.642 4.962 4.320 0.000 0.000 0.326 559 A C -0.451 177.056 177.584 -0.129 0.000 1.172 559 A CA -0.573 51.244 52.037 -0.366 0.000 0.821 559 A CB 0.293 18.853 19.000 -0.734 0.000 1.166 559 A HN 0.560 nan 8.150 nan 0.000 0.493 560 F N 2.071 121.927 119.950 -0.157 0.000 2.443 560 F HA 0.608 5.135 4.527 0.000 0.000 0.353 560 F C 0.567 176.320 175.800 -0.078 0.000 1.101 560 F CA 0.410 58.347 58.000 -0.104 0.000 1.226 560 F CB 0.535 39.486 39.000 -0.082 0.000 1.140 560 F HN 0.629 nan 8.300 nan 0.000 0.557 561 R N 5.409 125.257 120.500 -1.087 0.000 2.643 561 R HA 0.493 4.833 4.340 0.000 0.000 0.269 561 R C -1.770 174.038 176.300 -0.820 0.000 1.037 561 R CA -0.941 54.715 56.100 -0.740 0.000 0.894 561 R CB 1.844 31.951 30.300 -0.322 0.000 1.238 561 R HN 0.693 nan 8.270 nan 0.000 0.459 562 L N 3.966 124.932 121.223 -0.429 0.000 2.457 562 L HA 0.351 4.691 4.340 0.000 0.000 0.252 562 L C -0.651 176.242 176.870 0.039 0.000 1.132 562 L CA -0.656 54.033 54.840 -0.253 0.000 0.938 562 L CB 0.475 42.496 42.059 -0.062 0.000 1.246 562 L HN 0.686 nan 8.230 nan 0.000 0.476 563 N N -0.769 117.898 118.700 -0.054 0.000 3.124 563 N HA 0.203 4.943 4.740 0.000 0.000 0.350 563 N C 0.492 175.714 175.510 -0.480 0.000 1.411 563 N CA -0.755 52.228 53.050 -0.110 0.000 0.729 563 N CB 0.146 38.624 38.487 -0.015 0.000 1.379 563 N HN 0.229 nan 8.380 nan 0.000 0.599 564 W N 0.212 120.941 121.300 -0.952 0.000 2.381 564 W HA 0.230 4.890 4.660 0.000 0.000 0.301 564 W C 2.122 178.547 176.519 -0.157 0.000 1.205 564 W CA 2.310 59.189 57.345 -0.777 0.000 1.285 564 W CB -1.035 28.066 29.460 -0.598 0.000 1.133 564 W HN 0.634 nan 8.180 nan 0.000 0.521 565 A N -0.268 122.518 122.820 -0.057 0.000 2.024 565 A HA -0.221 4.099 4.320 0.000 0.000 0.220 565 A C 1.919 179.411 177.584 -0.154 0.000 1.164 565 A CA 2.466 54.417 52.037 -0.143 0.000 0.643 565 A CB -1.244 17.754 19.000 -0.003 0.000 0.806 565 A HN 0.319 nan 8.150 nan 0.000 0.451 566 T N -1.365 113.125 114.554 -0.107 0.000 2.643 566 T HA -0.198 4.152 4.350 0.000 0.000 0.264 566 T C 1.800 176.532 174.700 0.053 0.000 1.045 566 T CA 1.726 63.751 62.100 -0.125 0.000 1.155 566 T CB -0.525 68.150 68.868 -0.322 0.000 0.863 566 T HN 0.686 nan 8.240 nan 0.000 0.420 567 Y N 2.058 122.459 120.300 0.168 0.000 2.128 567 Y HA -0.118 4.432 4.550 0.000 0.000 0.284 567 Y C 2.015 177.881 175.900 -0.057 0.000 1.154 567 Y CA 1.128 59.330 58.100 0.169 0.000 1.149 567 Y CB -0.736 37.784 38.460 0.100 0.000 0.976 567 Y HN 0.123 nan 8.280 nan 0.000 0.505 568 L N -0.062 120.857 121.223 -0.506 0.000 2.127 568 L HA -0.253 4.087 4.340 0.000 0.000 0.211 568 L C 2.675 179.296 176.870 -0.414 0.000 1.089 568 L CA 1.383 55.835 54.840 -0.647 0.000 0.757 568 L CB -0.854 40.838 42.059 -0.612 0.000 0.899 568 L HN 0.491 nan 8.230 nan 0.000 0.434 569 A N -1.622 121.026 122.820 -0.287 0.000 1.924 569 A HA -0.101 4.219 4.320 0.000 0.000 0.211 569 A C 2.402 179.884 177.584 -0.169 0.000 1.198 569 A CA 1.063 52.970 52.037 -0.215 0.000 0.657 569 A CB -0.340 18.531 19.000 -0.216 0.000 0.852 569 A HN 0.272 nan 8.150 nan 0.000 0.454 570 S N -1.002 114.616 115.700 -0.137 0.000 2.474 570 S HA -0.067 4.403 4.470 0.000 0.000 0.235 570 S C 1.353 175.923 174.600 -0.050 0.000 0.997 570 S CA 2.044 60.207 58.200 -0.061 0.000 0.949 570 S CB -0.147 63.079 63.200 0.044 0.000 0.766 570 S HN 0.545 nan 8.310 nan 0.000 0.517 571 T N -0.185 114.273 114.554 -0.160 0.000 2.992 571 T HA 0.254 4.604 4.350 0.000 0.000 0.255 571 T C 0.875 175.467 174.700 -0.181 0.000 0.938 571 T CA -0.256 61.761 62.100 -0.140 0.000 0.895 571 T CB 0.303 69.105 68.868 -0.111 0.000 1.221 571 T HN 0.207 nan 8.240 nan 0.000 0.512 572 E N 1.588 121.617 120.200 -0.284 0.000 2.498 572 E HA 0.226 4.576 4.350 0.000 0.000 0.203 572 E C -0.002 176.546 176.600 -0.086 0.000 1.013 572 E CA -0.075 56.214 56.400 -0.185 0.000 0.927 572 E CB 0.170 29.712 29.700 -0.264 0.000 1.012 572 E HN 0.269 nan 8.360 nan 0.000 0.482 573 N N 1.054 119.712 118.700 -0.070 0.000 2.727 573 N HA -0.195 4.545 4.740 0.000 0.000 0.249 573 N C -0.562 174.977 175.510 0.049 0.000 1.048 573 N CA 0.742 53.817 53.050 0.042 0.000 0.714 573 N CB -1.416 37.162 38.487 0.152 0.000 0.959 573 N HN 0.300 nan 8.380 nan 0.000 0.544 574 I N 0.829 121.357 120.570 -0.071 0.000 2.412 574 I HA 0.355 4.525 4.170 0.000 0.000 0.296 574 I C 0.935 176.978 176.117 -0.123 0.000 0.987 574 I CA -0.722 60.534 61.300 -0.072 0.000 1.180 574 I CB 1.589 39.558 38.000 -0.051 0.000 1.340 574 I HN -0.067 nan 8.210 nan 0.000 0.455 575 I N 6.386 126.891 120.570 -0.109 0.000 2.322 575 I HA 0.150 4.320 4.170 0.000 0.000 0.292 575 I C -0.375 175.690 176.117 -0.086 0.000 1.060 575 I CA -0.430 60.765 61.300 -0.175 0.000 1.309 575 I CB 0.956 38.847 38.000 -0.182 0.000 1.415 575 I HN 0.214 nan 8.210 nan 0.000 0.492 576 V N 6.955 126.813 119.914 -0.092 0.000 2.364 576 V HA 0.578 4.698 4.120 0.000 0.000 0.272 576 V C 0.450 176.548 176.094 0.007 0.000 1.036 576 V CA -0.339 61.964 62.300 0.006 0.000 0.880 576 V CB 0.991 32.817 31.823 0.005 0.000 0.991 576 V HN 0.811 nan 8.190 nan 0.000 0.460 577 A N 4.180 127.034 122.820 0.058 0.000 2.401 577 A HA 0.908 5.228 4.320 0.000 0.000 0.310 577 A C -0.268 177.453 177.584 0.228 0.000 1.075 577 A CA -0.519 51.546 52.037 0.047 0.000 0.746 577 A CB 1.854 20.701 19.000 -0.255 0.000 1.277 577 A HN 0.668 nan 8.150 nan 0.000 0.425 578 S N 0.136 116.019 115.700 0.304 0.000 2.536 578 S HA 0.783 5.253 4.470 0.000 0.000 0.298 578 S C -1.377 173.572 174.600 0.582 0.000 1.083 578 S CA -0.307 58.126 58.200 0.387 0.000 0.995 578 S CB 1.312 64.684 63.200 0.286 0.000 1.058 578 S HN 0.776 nan 8.310 nan 0.000 0.488 579 F N 2.103 122.282 119.950 0.382 0.000 2.579 579 F HA 0.371 4.898 4.527 0.000 0.000 0.325 579 F C -1.402 174.595 175.800 0.328 0.000 1.162 579 F CA -0.864 57.385 58.000 0.415 0.000 0.946 579 F CB 1.161 40.382 39.000 0.368 0.000 1.211 579 F HN 0.394 nan 8.300 nan 0.000 0.447 580 D N 5.157 125.427 120.400 -0.216 0.000 2.402 580 D HA 0.309 4.949 4.640 0.000 0.000 0.235 580 D C 0.509 176.536 176.300 -0.455 0.000 1.226 580 D CA 0.315 54.217 54.000 -0.165 0.000 0.918 580 D CB 1.300 42.130 40.800 0.051 0.000 1.043 580 D HN 0.745 nan 8.370 nan 0.000 0.506 581 G N 1.544 110.147 108.800 -0.328 0.000 2.695 581 G HA2 0.279 4.239 3.960 0.000 0.000 0.213 581 G HA3 0.279 4.239 3.960 0.000 0.000 0.213 581 G C 0.192 175.131 174.900 0.065 0.000 1.406 581 G CA -0.730 44.237 45.100 -0.222 0.000 1.049 581 G HN 0.291 nan 8.290 nan 0.000 0.573 582 R N -0.717 119.807 120.500 0.040 0.000 2.623 582 R HA 0.371 4.711 4.340 0.000 0.000 0.271 582 R C 1.086 177.435 176.300 0.082 0.000 1.043 582 R CA 1.356 57.534 56.100 0.130 0.000 1.083 582 R CB 0.349 30.700 30.300 0.085 0.000 0.974 582 R HN 1.124 nan 8.270 nan 0.000 0.436 583 G N 1.179 110.026 108.800 0.079 0.000 2.149 583 G HA2 -0.280 3.680 3.960 0.000 0.000 0.235 583 G HA3 -0.280 3.680 3.960 0.000 0.000 0.235 583 G C -0.048 174.857 174.900 0.008 0.000 1.018 583 G CA 0.343 45.472 45.100 0.048 0.000 0.728 583 G HN 0.721 nan 8.290 nan 0.000 0.508 584 S N -1.451 114.258 115.700 0.015 0.000 2.823 584 S HA 0.921 5.391 4.470 0.000 0.000 0.316 584 S C 1.597 176.145 174.600 -0.087 0.000 1.116 584 S CA 0.295 58.486 58.200 -0.014 0.000 0.911 584 S CB 1.418 64.643 63.200 0.042 0.000 1.276 584 S HN 2.028 nan 8.310 nan 0.000 0.565 585 G N 0.518 109.273 108.800 -0.075 0.000 2.512 585 G HA2 -0.241 3.719 3.960 0.000 0.000 0.936 585 G HA3 -0.241 3.719 3.960 0.000 0.000 0.936 585 G C -0.655 173.967 174.900 -0.463 0.000 1.344 585 G CA 1.202 46.223 45.100 -0.132 0.000 0.883 585 G HN 0.970 nan 8.290 nan 0.000 0.560 586 Y N 0.685 120.959 120.300 -0.043 0.000 2.836 586 Y HA 0.572 5.123 4.550 0.000 0.000 0.359 586 Y C 0.900 176.749 175.900 -0.084 0.000 1.060 586 Y CA -0.403 57.656 58.100 -0.068 0.000 1.161 586 Y CB 0.806 39.253 38.460 -0.022 0.000 1.225 586 Y HN 0.395 nan 8.280 nan 0.000 0.621 587 Q N 0.853 120.603 119.800 -0.084 0.000 2.088 587 Q HA 0.461 4.801 4.340 0.000 0.000 0.270 587 Q C 0.314 176.080 176.000 -0.391 0.000 0.854 587 Q CA -0.244 55.494 55.803 -0.108 0.000 1.104 587 Q CB 1.610 30.306 28.738 -0.070 0.000 1.251 587 Q HN 0.679 nan 8.270 nan 0.000 0.436 588 G N 0.734 109.160 108.800 -0.623 0.000 2.705 588 G HA2 -0.184 3.776 3.960 0.000 0.000 0.686 588 G HA3 -0.184 3.776 3.960 0.000 0.000 0.686 588 G C -0.353 174.151 174.900 -0.660 0.000 1.285 588 G CA -0.571 43.919 45.100 -1.016 0.000 0.800 588 G HN 0.199 nan 8.290 nan 0.000 0.611 589 D N 0.262 120.238 120.400 -0.707 0.000 2.310 589 D HA -0.055 4.585 4.640 0.000 0.000 0.212 589 D C 2.110 178.103 176.300 -0.512 0.000 0.965 589 D CA 1.112 54.648 54.000 -0.773 0.000 0.879 589 D CB 0.105 40.237 40.800 -1.114 0.000 0.921 589 D HN 0.609 nan 8.370 nan 0.000 0.510 590 K N 0.714 120.877 120.400 -0.396 0.000 2.057 590 K HA -0.091 4.230 4.320 0.000 0.000 0.207 590 K C 2.050 178.573 176.600 -0.128 0.000 1.049 590 K CA 0.765 56.923 56.287 -0.215 0.000 0.931 590 K CB 0.021 32.419 32.500 -0.170 0.000 0.714 590 K HN 0.102 nan 8.250 nan 0.000 0.440 591 I N 0.383 120.861 120.570 -0.154 0.000 2.333 591 I HA -0.217 3.953 4.170 0.000 0.000 0.246 591 I C 2.623 178.726 176.117 -0.022 0.000 1.106 591 I CA 0.747 62.025 61.300 -0.038 0.000 1.411 591 I CB -0.084 37.888 38.000 -0.047 0.000 1.082 591 I HN 0.294 nan 8.210 nan 0.000 0.420 592 M N 0.194 119.728 119.600 -0.110 0.000 2.077 592 M HA -0.212 4.268 4.480 0.000 0.000 0.261 592 M C 2.164 178.525 176.300 0.102 0.000 1.070 592 M CA 1.897 57.176 55.300 -0.035 0.000 1.125 592 M CB -0.255 32.263 32.600 -0.136 0.000 1.339 592 M HN 0.198 nan 8.290 nan 0.000 0.409 593 H N 0.189 119.111 119.070 -0.246 0.000 2.559 593 H HA 0.168 4.724 4.556 0.000 0.000 0.273 593 H C 1.864 177.173 175.328 -0.031 0.000 1.000 593 H CA 0.792 56.702 56.048 -0.230 0.000 1.195 593 H CB -0.672 28.877 29.762 -0.355 0.000 1.368 593 H HN 0.511 nan 8.280 nan 0.000 0.592 594 A N 0.359 123.238 122.820 0.098 0.000 2.076 594 A HA -0.131 4.189 4.320 0.000 0.000 0.220 594 A C 2.239 179.871 177.584 0.081 0.000 1.160 594 A CA 1.167 53.252 52.037 0.078 0.000 0.653 594 A CB -0.554 18.491 19.000 0.075 0.000 0.801 594 A HN 0.422 nan 8.150 nan 0.000 0.455 595 I N -0.970 119.662 120.570 0.103 0.000 3.427 595 I HA -0.038 4.132 4.170 0.000 0.000 0.288 595 I C 0.615 176.782 176.117 0.082 0.000 1.249 595 I CA -0.290 61.052 61.300 0.070 0.000 1.421 595 I CB -0.289 37.733 38.000 0.037 0.000 1.086 595 I HN 0.291 nan 8.210 nan 0.000 0.448 596 N N 2.611 121.415 118.700 0.173 0.000 2.052 596 N HA -0.222 4.518 4.740 0.000 0.000 0.283 596 N C 0.527 176.101 175.510 0.106 0.000 1.272 596 N CA 0.992 54.159 53.050 0.195 0.000 0.810 596 N CB 0.298 38.887 38.487 0.171 0.000 1.042 596 N HN 0.039 nan 8.380 nan 0.000 0.483 597 K N -0.298 120.151 120.400 0.082 0.000 3.426 597 K HA -0.257 4.063 4.320 0.000 0.000 0.315 597 K C -0.627 176.047 176.600 0.124 0.000 1.293 597 K CA 1.578 57.928 56.287 0.105 0.000 0.955 597 K CB -1.389 31.210 32.500 0.166 0.000 1.238 597 K HN 0.903 nan 8.250 nan 0.000 0.441 598 R N -0.573 119.916 120.500 -0.018 0.000 2.797 598 R HA 0.385 4.725 4.340 0.000 0.000 0.230 598 R C -0.077 176.169 176.300 -0.091 0.000 1.591 598 R CA -0.544 55.477 56.100 -0.131 0.000 1.501 598 R CB -0.289 29.835 30.300 -0.293 0.000 1.524 598 R HN -0.068 nan 8.270 nan 0.000 0.711 599 L N 0.974 122.128 121.223 -0.115 0.000 2.474 599 L HA 0.472 4.812 4.340 0.000 0.000 0.259 599 L C 1.301 178.291 176.870 0.200 0.000 1.232 599 L CA 0.617 55.452 54.840 -0.008 0.000 0.821 599 L CB 0.463 42.367 42.059 -0.259 0.000 1.108 599 L HN 0.874 nan 8.230 nan 0.000 0.495 600 G N 0.471 109.498 108.800 0.378 0.000 2.160 600 G HA2 -0.246 3.714 3.960 0.000 0.000 0.251 600 G HA3 -0.246 3.714 3.960 0.000 0.000 0.251 600 G C 0.322 175.268 174.900 0.078 0.000 1.008 600 G CA 0.497 45.770 45.100 0.287 0.000 0.724 600 G HN 0.711 nan 8.290 nan 0.000 0.514 601 T N -0.489 114.098 114.554 0.055 0.000 2.233 601 T HA 0.355 4.705 4.350 0.000 0.000 0.172 601 T C 2.319 177.022 174.700 0.005 0.000 0.740 601 T CA 0.283 62.384 62.100 0.000 0.000 1.172 601 T CB -0.194 68.653 68.868 -0.036 0.000 2.941 601 T HN 0.075 nan 8.240 nan 0.000 0.398 602 L N 2.104 123.331 121.223 0.008 0.000 2.043 602 L HA -0.139 4.201 4.340 0.000 0.000 0.212 602 L C 2.915 179.800 176.870 0.025 0.000 1.075 602 L CA 1.749 56.595 54.840 0.010 0.000 0.752 602 L CB -0.879 41.191 42.059 0.017 0.000 0.891 602 L HN 0.590 nan 8.230 nan 0.000 0.432 603 E N 0.757 120.990 120.200 0.054 0.000 2.204 603 E HA -0.153 4.197 4.350 0.000 0.000 0.195 603 E C 2.048 178.696 176.600 0.080 0.000 0.990 603 E CA 1.574 58.024 56.400 0.083 0.000 0.821 603 E CB -0.585 29.188 29.700 0.121 0.000 0.750 603 E HN 0.395 nan 8.360 nan 0.000 0.477 604 V N 1.718 121.656 119.914 0.040 0.000 2.255 604 V HA -0.216 3.904 4.120 0.000 0.000 0.243 604 V C 2.415 178.502 176.094 -0.012 0.000 1.038 604 V CA 2.045 64.336 62.300 -0.014 0.000 1.008 604 V CB -0.736 31.038 31.823 -0.081 0.000 0.645 604 V HN 0.189 nan 8.190 nan 0.000 0.449 605 E N 0.505 120.694 120.200 -0.018 0.000 2.048 605 E HA -0.310 4.040 4.350 0.000 0.000 0.202 605 E C 1.925 178.508 176.600 -0.028 0.000 1.021 605 E CA 1.921 58.306 56.400 -0.025 0.000 0.825 605 E CB -0.337 29.347 29.700 -0.028 0.000 0.756 605 E HN 0.592 nan 8.360 nan 0.000 0.454 606 D N 0.059 120.450 120.400 -0.015 0.000 2.221 606 D HA -0.173 4.467 4.640 0.000 0.000 0.204 606 D C 1.899 178.204 176.300 0.008 0.000 0.982 606 D CA 0.958 54.948 54.000 -0.016 0.000 0.857 606 D CB -0.217 40.610 40.800 0.044 0.000 0.934 606 D HN 0.072 nan 8.370 nan 0.000 0.475 607 Q N -0.070 119.778 119.800 0.081 0.000 2.167 607 Q HA 0.033 4.373 4.340 0.000 0.000 0.202 607 Q C 2.040 178.072 176.000 0.053 0.000 0.970 607 Q CA 0.726 56.601 55.803 0.120 0.000 0.855 607 Q CB -0.043 28.770 28.738 0.125 0.000 0.911 607 Q HN 0.350 nan 8.270 nan 0.000 0.438 608 I N -0.220 120.372 120.570 0.036 0.000 2.333 608 I HA -0.169 4.001 4.170 0.000 0.000 0.246 608 I C 2.126 178.196 176.117 -0.078 0.000 1.106 608 I CA 0.655 62.015 61.300 0.099 0.000 1.411 608 I CB -0.221 37.831 38.000 0.087 0.000 1.082 608 I HN 0.162 nan 8.210 nan 0.000 0.420 609 E N 1.388 121.486 120.200 -0.170 0.000 2.049 609 E HA -0.243 4.107 4.350 0.000 0.000 0.198 609 E C 2.301 178.609 176.600 -0.487 0.000 1.007 609 E CA 1.758 57.994 56.400 -0.274 0.000 0.809 609 E CB -0.334 29.207 29.700 -0.264 0.000 0.749 609 E HN 0.447 nan 8.360 nan 0.000 0.450 610 A N 1.006 123.384 122.820 -0.737 0.000 1.948 610 A HA -0.196 4.124 4.320 0.000 0.000 0.220 610 A C 2.406 179.274 177.584 -1.193 0.000 1.177 610 A CA 2.583 53.848 52.037 -1.287 0.000 0.636 610 A CB -0.689 17.313 19.000 -1.662 0.000 0.815 610 A HN 0.313 nan 8.150 nan 0.000 0.449 611 A N -0.472 122.043 122.820 -0.508 0.000 1.873 611 A HA -0.138 4.182 4.320 0.000 0.000 0.215 611 A C 2.226 179.622 177.584 -0.312 0.000 1.186 611 A CA 1.363 53.261 52.037 -0.233 0.000 0.616 611 A CB -0.465 18.467 19.000 -0.114 0.000 0.823 611 A HN 0.448 nan 8.150 nan 0.000 0.442 612 R N -0.400 119.909 120.500 -0.318 0.000 2.115 612 R HA -0.181 4.159 4.340 0.000 0.000 0.239 612 R C 2.246 178.369 176.300 -0.295 0.000 1.133 612 R CA 1.731 57.673 56.100 -0.262 0.000 0.935 612 R CB -0.933 29.231 30.300 -0.226 0.000 0.853 612 R HN 0.581 nan 8.270 nan 0.000 0.433 613 Q N 0.136 119.680 119.800 -0.427 0.000 2.062 613 Q HA -0.130 4.210 4.340 0.000 0.000 0.209 613 Q C 2.281 178.088 176.000 -0.321 0.000 0.996 613 Q CA 1.636 57.187 55.803 -0.419 0.000 0.859 613 Q CB -0.732 27.650 28.738 -0.593 0.000 0.920 613 Q HN 0.468 nan 8.270 nan 0.000 0.415 614 F N 0.395 120.152 119.950 -0.321 0.000 2.161 614 F HA -0.220 4.307 4.527 0.000 0.000 0.300 614 F C 2.322 177.903 175.800 -0.366 0.000 1.089 614 F CA 0.251 58.048 58.000 -0.337 0.000 1.282 614 F CB -0.269 38.573 39.000 -0.263 0.000 1.010 614 F HN 0.038 nan 8.300 nan 0.000 0.485 615 L N 0.206 121.359 121.223 -0.117 0.000 2.005 615 L HA -0.226 4.114 4.340 0.000 0.000 0.207 615 L C 2.265 179.016 176.870 -0.197 0.000 1.072 615 L CA 1.503 56.243 54.840 -0.166 0.000 0.744 615 L CB -0.639 41.330 42.059 -0.150 0.000 0.895 615 L HN 0.025 nan 8.230 nan 0.000 0.433 616 K N -0.261 120.033 120.400 -0.176 0.000 2.360 616 K HA -0.145 4.175 4.320 0.000 0.000 0.201 616 K C 1.784 178.284 176.600 -0.167 0.000 1.046 616 K CA 1.111 57.308 56.287 -0.150 0.000 0.940 616 K CB -0.141 32.279 32.500 -0.134 0.000 0.748 616 K HN 0.346 nan 8.250 nan 0.000 0.465 617 M N -0.319 119.132 119.600 -0.249 0.000 2.682 617 M HA -0.006 4.474 4.480 0.000 0.000 0.235 617 M C 1.207 177.236 176.300 -0.452 0.000 1.114 617 M CA 0.550 55.662 55.300 -0.312 0.000 1.053 617 M CB 0.151 32.512 32.600 -0.398 0.000 1.599 617 M HN 0.461 nan 8.290 nan 0.000 0.520 618 G N 1.483 110.080 108.800 -0.338 0.000 4.951 618 G HA2 -0.370 3.590 3.960 0.000 0.000 0.295 618 G HA3 -0.370 3.590 3.960 0.000 0.000 0.295 618 G C 0.398 175.182 174.900 -0.194 0.000 1.540 618 G CA 0.246 45.228 45.100 -0.197 0.000 1.044 618 G HN 0.589 nan 8.290 nan 0.000 0.731 619 F N 1.994 122.013 119.950 0.114 0.000 2.556 619 F HA 0.421 4.948 4.527 0.000 0.000 0.288 619 F C 0.524 176.457 175.800 0.223 0.000 1.207 619 F CA 0.325 58.449 58.000 0.206 0.000 1.507 619 F CB -0.852 38.372 39.000 0.374 0.000 1.125 619 F HN 0.254 nan 8.300 nan 0.000 0.635 620 V N 1.182 121.099 119.914 0.005 0.000 2.448 620 V HA 0.119 4.239 4.120 0.000 0.000 0.295 620 V C -0.174 175.909 176.094 -0.017 0.000 1.025 620 V CA -1.075 61.238 62.300 0.022 0.000 0.859 620 V CB 1.522 33.296 31.823 -0.082 0.000 0.988 620 V HN 0.087 nan 8.190 nan 0.000 0.431 621 D N 3.609 124.000 120.400 -0.016 0.000 2.416 621 D HA 0.009 4.649 4.640 0.000 0.000 0.240 621 D C 1.588 177.848 176.300 -0.067 0.000 1.250 621 D CA 0.529 54.495 54.000 -0.057 0.000 0.967 621 D CB 1.083 41.828 40.800 -0.092 0.000 1.059 621 D HN 0.714 nan 8.370 nan 0.000 0.512 622 S N 3.718 119.378 115.700 -0.067 0.000 2.441 622 S HA -0.203 4.267 4.470 0.000 0.000 0.242 622 S C 1.438 176.007 174.600 -0.052 0.000 1.018 622 S CA 0.788 58.944 58.200 -0.074 0.000 0.988 622 S CB -0.034 63.119 63.200 -0.078 0.000 0.778 622 S HN 0.289 nan 8.310 nan 0.000 0.498 623 K N 0.737 121.115 120.400 -0.037 0.000 2.487 623 K HA 0.234 4.554 4.320 0.000 0.000 0.192 623 K C 0.236 176.855 176.600 0.032 0.000 1.027 623 K CA 0.252 56.534 56.287 -0.008 0.000 1.054 623 K CB -0.024 32.469 32.500 -0.011 0.000 0.824 623 K HN 0.414 nan 8.250 nan 0.000 0.510 624 R N 0.151 120.659 120.500 0.013 0.000 2.754 624 R HA 0.226 4.566 4.340 0.000 0.000 0.255 624 R C -1.470 174.914 176.300 0.141 0.000 1.723 624 R CA -0.123 56.033 56.100 0.093 0.000 1.596 624 R CB 1.141 31.324 30.300 -0.194 0.000 1.424 624 R HN -0.222 nan 8.270 nan 0.000 0.662 625 V N 1.176 121.241 119.914 0.252 0.000 2.448 625 V HA 0.879 4.999 4.120 0.000 0.000 0.295 625 V C -0.098 176.237 176.094 0.401 0.000 1.025 625 V CA -0.669 61.760 62.300 0.215 0.000 0.859 625 V CB 1.670 33.412 31.823 -0.135 0.000 0.988 625 V HN 0.596 nan 8.190 nan 0.000 0.431 626 A N 4.958 128.104 122.820 0.543 0.000 2.486 626 A HA 0.998 5.318 4.320 0.000 0.000 0.289 626 A C -1.143 176.804 177.584 0.605 0.000 1.176 626 A CA -0.743 51.593 52.037 0.499 0.000 0.757 626 A CB 1.917 21.028 19.000 0.185 0.000 1.337 626 A HN 0.901 nan 8.150 nan 0.000 0.423 627 I N 0.604 121.449 120.570 0.458 0.000 2.680 627 I HA 0.577 4.747 4.170 0.000 0.000 0.291 627 I C -1.998 174.358 176.117 0.399 0.000 1.244 627 I CA -0.511 61.008 61.300 0.365 0.000 1.042 627 I CB 1.345 39.334 38.000 -0.018 0.000 1.277 627 I HN 0.935 nan 8.210 nan 0.000 0.423 628 W N 7.332 128.762 121.300 0.217 0.000 2.962 628 W HA 0.917 5.577 4.660 0.000 0.000 0.341 628 W C -1.273 175.387 176.519 0.235 0.000 1.155 628 W CA -1.403 56.073 57.345 0.218 0.000 1.165 628 W CB 1.272 30.909 29.460 0.295 0.000 1.435 628 W HN 0.762 nan 8.180 nan 0.000 0.546 629 G N 0.951 109.693 108.800 -0.095 0.000 2.673 629 G HA2 0.479 4.439 3.960 0.000 0.000 0.292 629 G HA3 0.479 4.439 3.960 0.000 0.000 0.292 629 G C -2.666 172.164 174.900 -0.117 0.000 1.450 629 G CA -0.682 44.231 45.100 -0.312 0.000 0.837 629 G HN 0.611 nan 8.290 nan 0.000 0.505 630 W N 1.208 122.359 121.300 -0.248 0.000 2.706 630 W HA 0.620 5.280 4.660 0.000 0.000 0.346 630 W C 0.914 177.466 176.519 0.054 0.000 1.071 630 W CA 0.343 57.635 57.345 -0.087 0.000 1.206 630 W CB 1.955 31.358 29.460 -0.096 0.000 1.413 630 W HN 1.081 nan 8.180 nan 0.000 0.542 631 S N 1.986 117.984 115.700 0.497 0.000 4.112 631 S HA -0.434 4.036 4.470 0.000 0.000 0.602 631 S C 1.233 175.954 174.600 0.202 0.000 1.939 631 S CA 1.959 60.435 58.200 0.459 0.000 4.230 631 S CB -1.878 61.730 63.200 0.680 0.000 0.245 631 S HN 0.736 nan 8.310 nan 0.000 0.530 632 Y N 2.083 122.384 120.300 0.002 0.000 2.207 632 Y HA -0.036 4.514 4.550 0.000 0.000 0.287 632 Y C 2.368 178.184 175.900 -0.141 0.000 1.156 632 Y CA 2.524 60.502 58.100 -0.204 0.000 1.182 632 Y CB -1.013 37.054 38.460 -0.655 0.000 0.979 632 Y HN 0.528 nan 8.280 nan 0.000 0.521 633 G N -0.886 107.935 108.800 0.035 0.000 2.432 633 G HA2 -0.240 3.720 3.960 0.000 0.000 0.219 633 G HA3 -0.240 3.720 3.960 0.000 0.000 0.219 633 G C 1.853 176.776 174.900 0.039 0.000 1.135 633 G CA 0.704 45.852 45.100 0.081 0.000 0.767 633 G HN 0.573 nan 8.290 nan 0.000 0.550 634 G N -0.322 108.506 108.800 0.047 0.000 2.422 634 G HA2 -0.220 3.740 3.960 0.000 0.000 0.218 634 G HA3 -0.220 3.740 3.960 0.000 0.000 0.218 634 G C 1.555 176.471 174.900 0.027 0.000 1.140 634 G CA 1.071 46.183 45.100 0.020 0.000 0.775 634 G HN 0.429 nan 8.290 nan 0.000 0.545 635 Y N 1.425 121.620 120.300 -0.176 0.000 2.109 635 Y HA -0.106 4.444 4.550 0.000 0.000 0.285 635 Y C 2.770 178.567 175.900 -0.172 0.000 1.131 635 Y CA 1.522 59.469 58.100 -0.254 0.000 1.121 635 Y CB -0.570 37.585 38.460 -0.509 0.000 0.987 635 Y HN 0.022 nan 8.280 nan 0.000 0.495 636 V N -0.123 119.643 119.914 -0.248 0.000 2.287 636 V HA -0.356 3.764 4.120 0.000 0.000 0.248 636 V C 2.342 178.306 176.094 -0.218 0.000 1.053 636 V CA 2.477 64.619 62.300 -0.265 0.000 1.027 636 V CB -1.356 30.451 31.823 -0.026 0.000 0.646 636 V HN 0.498 nan 8.190 nan 0.000 0.447 637 T N 0.010 114.496 114.554 -0.113 0.000 2.635 637 T HA -0.233 4.117 4.350 0.000 0.000 0.267 637 T C 2.137 176.764 174.700 -0.121 0.000 1.040 637 T CA 2.150 64.196 62.100 -0.090 0.000 1.156 637 T CB -0.339 68.554 68.868 0.041 0.000 0.863 637 T HN 0.532 nan 8.240 nan 0.000 0.430 638 S N 0.893 116.559 115.700 -0.057 0.000 2.368 638 S HA -0.002 4.468 4.470 0.000 0.000 0.225 638 S C 2.128 176.647 174.600 -0.136 0.000 1.030 638 S CA 0.942 59.130 58.200 -0.020 0.000 0.999 638 S CB -0.282 62.965 63.200 0.078 0.000 0.844 638 S HN 0.345 nan 8.310 nan 0.000 0.459 639 M N 0.770 120.195 119.600 -0.292 0.000 2.229 639 M HA -0.026 4.454 4.480 0.000 0.000 0.264 639 M C 2.134 178.269 176.300 -0.274 0.000 1.063 639 M CA 1.015 56.124 55.300 -0.318 0.000 1.114 639 M CB -1.064 31.221 32.600 -0.526 0.000 1.387 639 M HN 0.197 nan 8.290 nan 0.000 0.420 640 V N 0.565 120.296 119.914 -0.306 0.000 2.323 640 V HA -0.223 3.897 4.120 0.000 0.000 0.244 640 V C 2.452 178.320 176.094 -0.378 0.000 1.041 640 V CA 1.284 63.386 62.300 -0.330 0.000 1.025 640 V CB -0.572 30.979 31.823 -0.453 0.000 0.656 640 V HN 0.399 nan 8.190 nan 0.000 0.451 641 L N 0.501 121.441 121.223 -0.472 0.000 2.131 641 L HA -0.087 4.253 4.340 0.000 0.000 0.210 641 L C 2.236 178.589 176.870 -0.861 0.000 1.092 641 L CA 1.636 56.106 54.840 -0.617 0.000 0.759 641 L CB -0.782 40.838 42.059 -0.732 0.000 0.903 641 L HN 0.504 nan 8.230 nan 0.000 0.435 642 G N -1.408 106.907 108.800 -0.810 0.000 3.233 642 G HA2 -0.043 3.917 3.960 0.000 0.000 0.227 642 G HA3 -0.043 3.917 3.960 0.000 0.000 0.227 642 G C 1.400 176.178 174.900 -0.204 0.000 1.175 642 G CA 0.571 45.352 45.100 -0.533 0.000 0.781 642 G HN 0.448 nan 8.290 nan 0.000 0.542 643 S N -0.795 114.780 115.700 -0.207 0.000 2.558 643 S HA 0.307 4.777 4.470 0.000 0.000 0.217 643 S C 1.849 176.401 174.600 -0.079 0.000 0.975 643 S CA 0.782 58.915 58.200 -0.112 0.000 0.912 643 S CB -0.018 63.120 63.200 -0.102 0.000 0.776 643 S HN 1.256 nan 8.310 nan 0.000 0.526 644 G N 2.001 110.740 108.800 -0.102 0.000 2.283 644 G HA2 -0.336 3.624 3.960 0.000 0.000 0.280 644 G HA3 -0.336 3.624 3.960 0.000 0.000 0.280 644 G C 0.826 175.711 174.900 -0.025 0.000 1.029 644 G CA 0.734 45.800 45.100 -0.058 0.000 0.840 644 G HN 1.217 nan 8.290 nan 0.000 0.505 645 S N -1.214 114.481 115.700 -0.008 0.000 2.515 645 S HA 0.317 4.787 4.470 0.000 0.000 0.231 645 S C 2.477 177.089 174.600 0.021 0.000 0.987 645 S CA 1.342 59.552 58.200 0.016 0.000 0.936 645 S CB -0.079 63.153 63.200 0.053 0.000 0.766 645 S HN 2.350 nan 8.310 nan 0.000 0.528 646 G N 0.413 109.231 108.800 0.029 0.000 2.220 646 G HA2 -0.326 3.634 3.960 0.000 0.000 0.269 646 G HA3 -0.326 3.634 3.960 0.000 0.000 0.269 646 G C 0.798 175.707 174.900 0.015 0.000 0.977 646 G CA 0.465 45.578 45.100 0.021 0.000 0.634 646 G HN 0.746 nan 8.290 nan 0.000 0.539 647 V N -0.487 119.442 119.914 0.025 0.000 2.809 647 V HA 0.257 4.377 4.120 0.000 0.000 0.256 647 V C 1.036 176.946 176.094 -0.306 0.000 1.080 647 V CA 1.381 63.596 62.300 -0.141 0.000 1.102 647 V CB -0.471 31.223 31.823 -0.215 0.000 0.705 647 V HN 0.310 nan 8.190 nan 0.000 0.475 648 F N -0.529 119.425 119.950 0.007 0.000 2.508 648 F HA 0.452 4.979 4.527 0.000 0.000 0.325 648 F C 0.976 176.802 175.800 0.042 0.000 1.090 648 F CA -0.968 57.057 58.000 0.042 0.000 0.945 648 F CB 1.779 40.802 39.000 0.038 0.000 1.156 648 F HN -0.320 nan 8.300 nan 0.000 0.463 649 K N 1.179 121.724 120.400 0.241 0.000 2.128 649 K HA 0.140 4.460 4.320 0.000 0.000 0.202 649 K C -0.039 176.659 176.600 0.163 0.000 1.050 649 K CA 1.005 57.392 56.287 0.166 0.000 0.966 649 K CB 0.282 32.880 32.500 0.164 0.000 0.759 649 K HN 0.802 nan 8.250 nan 0.000 0.454 650 c N -2.882 115.840 118.600 0.203 0.000 3.336 650 c HA 0.920 5.490 4.570 0.000 0.000 0.339 650 c C -0.160 174.118 174.090 0.313 0.000 1.468 650 c CA -0.526 55.949 56.329 0.244 0.000 1.287 650 c CB 1.042 43.643 42.510 0.152 0.000 1.682 650 c HN 0.400 nan 8.230 nan 0.000 0.451 651 G N -0.331 108.729 108.800 0.433 0.000 2.547 651 G HA2 0.687 4.647 3.960 0.000 0.000 0.291 651 G HA3 0.687 4.647 3.960 0.000 0.000 0.291 651 G C -2.042 173.068 174.900 0.350 0.000 1.471 651 G CA -0.679 44.652 45.100 0.386 0.000 0.798 651 G HN 1.078 nan 8.290 nan 0.000 0.504 652 I N 0.475 121.226 120.570 0.302 0.000 2.478 652 I HA 0.624 4.794 4.170 0.000 0.000 0.287 652 I C 0.099 176.332 176.117 0.192 0.000 1.042 652 I CA -1.018 60.352 61.300 0.117 0.000 1.067 652 I CB 2.180 40.242 38.000 0.103 0.000 1.233 652 I HN 0.691 nan 8.210 nan 0.000 0.431 653 A N 6.319 129.156 122.820 0.030 0.000 2.287 653 A HA 0.793 5.113 4.320 0.000 0.000 0.317 653 A C -0.696 176.784 177.584 -0.173 0.000 1.220 653 A CA -0.532 51.514 52.037 0.015 0.000 0.835 653 A CB 1.245 20.316 19.000 0.118 0.000 1.180 653 A HN 0.460 nan 8.150 nan 0.000 0.500 654 V N 2.201 121.942 119.914 -0.289 0.000 2.384 654 V HA 0.567 4.687 4.120 0.000 0.000 0.287 654 V C 0.858 176.536 176.094 -0.694 0.000 1.020 654 V CA 0.347 62.252 62.300 -0.658 0.000 0.850 654 V CB 0.747 31.804 31.823 -1.277 0.000 0.987 654 V HN 2.108 nan 8.190 nan 0.000 0.436 655 A N 5.852 128.251 122.820 -0.702 0.000 2.466 655 A HA -0.099 4.221 4.320 0.000 0.000 0.295 655 A C -1.769 175.672 177.584 -0.239 0.000 1.465 655 A CA 0.451 51.997 52.037 -0.819 0.000 0.744 655 A CB -1.512 17.156 19.000 -0.553 0.000 1.098 655 A HN 0.609 nan 8.150 nan 0.000 0.402 656 P HA 0.500 nan 4.420 nan 0.000 0.278 656 P C -0.080 177.192 177.300 -0.046 0.000 1.266 656 P CA -0.361 62.715 63.100 -0.041 0.000 0.807 656 P CB 1.276 32.973 31.700 -0.004 0.000 1.094 657 V N 1.202 121.001 119.914 -0.192 0.000 2.472 657 V HA 0.164 4.284 4.120 0.000 0.000 0.290 657 V C 1.514 177.413 176.094 -0.325 0.000 1.037 657 V CA 0.310 62.361 62.300 -0.415 0.000 0.908 657 V CB 1.124 32.348 31.823 -1.000 0.000 0.985 657 V HN 0.768 nan 8.190 nan 0.000 0.454 658 S N 3.717 119.277 115.700 -0.233 0.000 2.506 658 S HA 0.258 4.728 4.470 0.000 0.000 0.219 658 S C 0.453 174.901 174.600 -0.254 0.000 1.031 658 S CA -0.395 57.733 58.200 -0.120 0.000 0.911 658 S CB 0.235 63.436 63.200 0.003 0.000 0.812 658 S HN 0.857 nan 8.310 nan 0.000 0.497 659 R N -1.279 118.915 120.500 -0.510 0.000 2.633 659 R HA 0.297 4.637 4.340 0.000 0.000 0.256 659 R C -1.126 174.799 176.300 -0.625 0.000 1.131 659 R CA -0.900 54.857 56.100 -0.573 0.000 0.994 659 R CB -0.330 29.649 30.300 -0.534 0.000 1.261 659 R HN 0.137 nan 8.270 nan 0.000 0.446 660 W N 1.590 122.807 121.300 -0.137 0.000 2.424 660 W HA -0.044 4.616 4.660 0.000 0.000 0.264 660 W C 1.232 177.891 176.519 0.235 0.000 1.229 660 W CA 0.918 58.272 57.345 0.014 0.000 1.208 660 W CB 0.119 29.483 29.460 -0.160 0.000 1.127 660 W HN 0.744 nan 8.180 nan 0.000 0.588 661 E N -1.060 119.309 120.200 0.280 0.000 2.268 661 E HA -0.193 4.157 4.350 0.000 0.000 0.195 661 E C 1.456 178.228 176.600 0.287 0.000 0.995 661 E CA 1.051 57.592 56.400 0.235 0.000 0.836 661 E CB -0.376 29.361 29.700 0.062 0.000 0.763 661 E HN 0.345 nan 8.360 nan 0.000 0.491 662 Y N -1.310 119.100 120.300 0.182 0.000 2.516 662 Y HA 0.023 4.573 4.550 0.000 0.000 0.291 662 Y C 0.685 176.726 175.900 0.236 0.000 1.131 662 Y CA -0.233 57.958 58.100 0.151 0.000 1.281 662 Y CB -0.611 37.883 38.460 0.057 0.000 1.013 662 Y HN 0.027 nan 8.280 nan 0.000 0.554 663 Y N 2.262 122.746 120.300 0.307 0.000 2.316 663 Y HA 0.254 4.804 4.550 0.000 0.000 0.324 663 Y C 0.565 176.703 175.900 0.397 0.000 1.267 663 Y CA -2.112 56.185 58.100 0.327 0.000 1.311 663 Y CB 0.281 38.973 38.460 0.386 0.000 1.267 663 Y HN 0.218 nan 8.280 nan 0.000 0.516 664 D N -0.036 119.998 120.400 -0.611 0.000 2.364 664 D HA -0.015 4.625 4.640 0.000 0.000 0.236 664 D C 0.894 177.131 176.300 -0.104 0.000 1.221 664 D CA 0.638 54.364 54.000 -0.457 0.000 0.891 664 D CB 0.583 40.901 40.800 -0.804 0.000 1.190 664 D HN 0.479 nan 8.370 nan 0.000 0.449 665 S N 0.496 116.148 115.700 -0.079 0.000 2.329 665 S HA -0.169 4.301 4.470 0.000 0.000 0.215 665 S C 2.100 176.712 174.600 0.021 0.000 1.031 665 S CA 1.008 59.228 58.200 0.033 0.000 0.985 665 S CB -1.111 62.119 63.200 0.050 0.000 0.917 665 S HN 0.439 nan 8.310 nan 0.000 0.441 666 V N 1.242 121.121 119.914 -0.058 0.000 2.278 666 V HA -0.260 3.860 4.120 0.000 0.000 0.251 666 V C 2.294 178.275 176.094 -0.188 0.000 1.062 666 V CA 2.508 64.672 62.300 -0.227 0.000 1.038 666 V CB -1.192 30.362 31.823 -0.449 0.000 0.646 666 V HN 0.562 nan 8.190 nan 0.000 0.447 667 Y N 1.274 121.477 120.300 -0.162 0.000 2.092 667 Y HA -0.228 4.322 4.550 0.000 0.000 0.282 667 Y C 2.793 178.637 175.900 -0.094 0.000 1.126 667 Y CA 2.370 60.431 58.100 -0.065 0.000 1.111 667 Y CB -0.840 37.775 38.460 0.258 0.000 0.987 667 Y HN 0.207 nan 8.280 nan 0.000 0.489 668 T N 0.529 115.221 114.554 0.231 0.000 2.570 668 T HA -0.287 4.063 4.350 0.000 0.000 0.266 668 T C 1.613 176.220 174.700 -0.156 0.000 1.071 668 T CA 2.168 64.317 62.100 0.081 0.000 1.172 668 T CB -0.520 68.592 68.868 0.406 0.000 0.864 668 T HN 0.433 nan 8.240 nan 0.000 0.421 669 E N 0.286 120.460 120.200 -0.043 0.000 2.209 669 E HA -0.170 4.180 4.350 0.000 0.000 0.196 669 E C 2.316 178.771 176.600 -0.242 0.000 0.993 669 E CA 0.715 57.085 56.400 -0.049 0.000 0.819 669 E CB -0.150 29.570 29.700 0.033 0.000 0.745 669 E HN 0.353 nan 8.360 nan 0.000 0.477 670 R N -0.132 120.050 120.500 -0.529 0.000 2.120 670 R HA -0.156 4.184 4.340 0.000 0.000 0.234 670 R C 1.064 176.756 176.300 -1.014 0.000 1.123 670 R CA 1.436 57.032 56.100 -0.840 0.000 0.975 670 R CB 0.066 29.590 30.300 -1.293 0.000 0.866 670 R HN 0.291 nan 8.270 nan 0.000 0.446 671 Y N -2.560 117.370 120.300 -0.616 0.000 2.430 671 Y HA 0.258 4.808 4.550 0.000 0.000 0.248 671 Y C 1.538 177.212 175.900 -0.377 0.000 1.108 671 Y CA -0.512 57.219 58.100 -0.616 0.000 1.264 671 Y CB 0.703 38.661 38.460 -0.837 0.000 1.172 671 Y HN -0.038 nan 8.280 nan 0.000 0.520 672 M N -0.426 119.037 119.600 -0.227 0.000 2.304 672 M HA 0.382 4.862 4.480 0.000 0.000 0.281 672 M C 1.122 177.462 176.300 0.067 0.000 1.014 672 M CA 0.839 56.037 55.300 -0.171 0.000 1.054 672 M CB 0.095 32.400 32.600 -0.493 0.000 1.551 672 M HN 0.338 nan 8.290 nan 0.000 0.548 673 G N 1.840 110.675 108.800 0.058 0.000 2.553 673 G HA2 -0.232 3.728 3.960 0.000 0.000 0.242 673 G HA3 -0.232 3.728 3.960 0.000 0.000 0.242 673 G C -0.563 174.452 174.900 0.192 0.000 1.277 673 G CA -0.692 44.472 45.100 0.107 0.000 0.910 673 G HN 0.332 nan 8.290 nan 0.000 0.576 674 L N 1.986 123.283 121.223 0.123 0.000 2.325 674 L HA 0.450 4.790 4.340 0.000 0.000 0.279 674 L C -1.397 175.409 176.870 -0.106 0.000 1.054 674 L CA -1.835 53.022 54.840 0.030 0.000 0.804 674 L CB 2.032 44.087 42.059 -0.007 0.000 1.200 674 L HN 0.456 nan 8.230 nan 0.000 0.436 675 P HA 0.027 nan 4.420 nan 0.000 0.237 675 P C -0.342 176.773 177.300 -0.308 0.000 1.723 675 P CA -0.018 62.602 63.100 -0.800 0.000 0.882 675 P CB -0.576 30.468 31.700 -1.094 0.000 1.810 676 T N -3.446 111.016 114.554 -0.154 0.000 2.885 676 T HA 0.420 4.770 4.350 0.000 0.000 0.285 676 T C -1.838 172.834 174.700 -0.047 0.000 1.019 676 T CA -2.463 59.587 62.100 -0.084 0.000 1.010 676 T CB 2.101 70.934 68.868 -0.058 0.000 1.022 676 T HN -0.208 nan 8.240 nan 0.000 0.466 677 P HA -0.119 nan 4.420 nan 0.000 0.221 677 P C 0.844 178.133 177.300 -0.019 0.000 1.145 677 P CA 1.096 64.183 63.100 -0.022 0.000 0.795 677 P CB 0.211 31.901 31.700 -0.017 0.000 0.775 678 E N -0.880 119.308 120.200 -0.020 0.000 2.427 678 E HA -0.068 4.282 4.350 0.000 0.000 0.196 678 E C 1.118 177.711 176.600 -0.011 0.000 1.028 678 E CA 0.527 56.918 56.400 -0.015 0.000 0.864 678 E CB 0.077 29.769 29.700 -0.015 0.000 0.813 678 E HN 0.353 nan 8.360 nan 0.000 0.514 679 D N 0.501 120.895 120.400 -0.010 0.000 3.208 679 D HA 0.021 4.661 4.640 0.000 0.000 0.193 679 D C 0.164 176.468 176.300 0.006 0.000 1.283 679 D CA -0.188 53.814 54.000 0.004 0.000 1.473 679 D CB -0.134 40.678 40.800 0.020 0.000 1.040 679 D HN -0.096 nan 8.370 nan 0.000 0.173 680 N N 0.291 119.023 118.700 0.054 0.000 2.338 680 N HA 0.078 4.818 4.740 0.000 0.000 0.251 680 N C 1.305 176.930 175.510 0.191 0.000 1.199 680 N CA -0.128 52.975 53.050 0.089 0.000 0.879 680 N CB 0.566 39.164 38.487 0.185 0.000 1.159 680 N HN 0.032 nan 8.380 nan 0.000 0.514 681 L N 0.767 122.033 121.223 0.072 0.000 2.081 681 L HA -0.190 4.150 4.340 0.000 0.000 0.212 681 L C 1.290 178.245 176.870 0.141 0.000 1.080 681 L CA 1.972 56.849 54.840 0.060 0.000 0.754 681 L CB -0.351 41.699 42.059 -0.015 0.000 0.893 681 L HN 0.191 nan 8.230 nan 0.000 0.433 682 D N -1.293 119.148 120.400 0.068 0.000 2.084 682 D HA -0.187 4.453 4.640 0.000 0.000 0.194 682 D C 2.079 178.498 176.300 0.197 0.000 0.990 682 D CA 1.534 55.581 54.000 0.077 0.000 0.826 682 D CB -0.343 40.448 40.800 -0.015 0.000 0.971 682 D HN 0.458 nan 8.370 nan 0.000 0.453 683 H N -0.906 118.251 119.070 0.145 0.000 2.491 683 H HA -0.053 4.503 4.556 0.000 0.000 0.290 683 H C 1.773 177.180 175.328 0.132 0.000 1.050 683 H CA 0.518 56.631 56.048 0.109 0.000 1.309 683 H CB -0.468 29.327 29.762 0.055 0.000 1.392 683 H HN 0.319 nan 8.280 nan 0.000 0.554 684 Y N 0.961 121.382 120.300 0.202 0.000 2.133 684 Y HA -0.109 4.441 4.550 0.000 0.000 0.287 684 Y C 2.544 178.527 175.900 0.138 0.000 1.134 684 Y CA 1.273 59.483 58.100 0.183 0.000 1.133 684 Y CB 0.077 38.612 38.460 0.125 0.000 0.987 684 Y HN 0.020 nan 8.280 nan 0.000 0.502 685 R N -0.122 120.542 120.500 0.273 0.000 2.280 685 R HA -0.091 4.249 4.340 0.000 0.000 0.207 685 R C 1.620 177.997 176.300 0.128 0.000 1.043 685 R CA 0.636 56.830 56.100 0.156 0.000 1.006 685 R CB -0.199 30.169 30.300 0.112 0.000 0.885 685 R HN 0.398 nan 8.270 nan 0.000 0.467 686 N N 0.579 119.374 118.700 0.159 0.000 2.333 686 N HA -0.058 4.682 4.740 0.000 0.000 0.178 686 N C 0.720 176.298 175.510 0.113 0.000 1.018 686 N CA 0.951 54.077 53.050 0.127 0.000 0.882 686 N CB 0.271 38.849 38.487 0.152 0.000 0.984 686 N HN 0.102 nan 8.380 nan 0.000 0.434 687 S N -0.090 115.703 115.700 0.154 0.000 2.767 687 S HA 0.156 4.626 4.470 0.000 0.000 0.253 687 S C 0.429 175.135 174.600 0.177 0.000 1.082 687 S CA -0.424 57.893 58.200 0.195 0.000 1.148 687 S CB -0.188 63.204 63.200 0.320 0.000 0.808 687 S HN -0.083 nan 8.310 nan 0.000 0.466 688 T N 1.279 115.886 114.554 0.088 0.000 2.889 688 T HA 0.314 4.664 4.350 0.000 0.000 0.291 688 T C 1.346 176.061 174.700 0.024 0.000 0.995 688 T CA -0.448 61.669 62.100 0.030 0.000 1.092 688 T CB 1.496 70.363 68.868 -0.003 0.000 0.954 688 T HN 0.121 nan 8.240 nan 0.000 0.506 689 V N 4.394 124.312 119.914 0.008 0.000 2.488 689 V HA -0.122 3.998 4.120 0.000 0.000 0.246 689 V C 2.536 178.585 176.094 -0.075 0.000 1.046 689 V CA 1.236 63.520 62.300 -0.026 0.000 1.053 689 V CB -0.423 31.380 31.823 -0.033 0.000 0.679 689 V HN 0.842 nan 8.190 nan 0.000 0.458 690 M N 0.810 120.361 119.600 -0.083 0.000 2.460 690 M HA -0.037 4.443 4.480 0.000 0.000 0.263 690 M C 2.086 178.350 176.300 -0.060 0.000 1.071 690 M CA 1.904 57.140 55.300 -0.106 0.000 1.096 690 M CB -1.757 30.798 32.600 -0.075 0.000 1.408 690 M HN 0.507 nan 8.290 nan 0.000 0.463 691 S N 0.662 116.348 115.700 -0.023 0.000 2.607 691 S HA 0.062 4.532 4.470 0.000 0.000 0.224 691 S C 1.511 176.120 174.600 0.014 0.000 0.969 691 S CA -0.044 58.157 58.200 0.001 0.000 0.927 691 S CB -0.331 62.878 63.200 0.016 0.000 0.772 691 S HN 0.664 nan 8.310 nan 0.000 0.533 692 R N 0.078 120.592 120.500 0.023 0.000 2.577 692 R HA 0.473 4.813 4.340 0.000 0.000 0.344 692 R C 1.861 178.255 176.300 0.158 0.000 1.037 692 R CA 0.392 56.543 56.100 0.084 0.000 1.102 692 R CB 0.025 30.390 30.300 0.109 0.000 1.313 692 R HN 0.406 nan 8.270 nan 0.000 0.561 693 A N 1.872 124.702 122.820 0.015 0.000 1.884 693 A HA -0.251 4.069 4.320 0.000 0.000 0.219 693 A C 1.908 179.560 177.584 0.113 0.000 1.197 693 A CA 1.461 53.460 52.037 -0.063 0.000 0.637 693 A CB -0.207 18.731 19.000 -0.103 0.000 0.827 693 A HN 0.214 nan 8.150 nan 0.000 0.450 694 E N 0.223 120.478 120.200 0.091 0.000 2.068 694 E HA -0.234 4.116 4.350 0.000 0.000 0.207 694 E C 1.636 178.316 176.600 0.132 0.000 1.032 694 E CA 1.595 58.053 56.400 0.097 0.000 0.839 694 E CB -0.560 29.177 29.700 0.062 0.000 0.758 694 E HN 0.612 nan 8.360 nan 0.000 0.457 695 N N 0.136 118.912 118.700 0.126 0.000 2.588 695 N HA -0.145 4.595 4.740 0.000 0.000 0.190 695 N C 1.360 176.880 175.510 0.017 0.000 1.094 695 N CA 0.534 53.617 53.050 0.054 0.000 0.921 695 N CB -0.368 38.110 38.487 -0.016 0.000 0.959 695 N HN 0.139 nan 8.380 nan 0.000 0.448 696 F N 1.233 121.151 119.950 -0.054 0.000 2.661 696 F HA 0.098 4.625 4.527 0.000 0.000 0.298 696 F C 1.908 177.722 175.800 0.023 0.000 1.137 696 F CA 0.394 58.360 58.000 -0.057 0.000 1.454 696 F CB 0.087 39.020 39.000 -0.111 0.000 1.103 696 F HN -0.062 nan 8.300 nan 0.000 0.577 697 K N 0.160 120.668 120.400 0.180 0.000 2.280 697 K HA -0.162 4.158 4.320 0.000 0.000 0.202 697 K C 0.988 177.647 176.600 0.098 0.000 1.047 697 K CA 1.007 57.376 56.287 0.138 0.000 0.942 697 K CB -0.269 32.292 32.500 0.102 0.000 0.739 697 K HN 0.443 nan 8.250 nan 0.000 0.457 698 Q N 0.594 120.429 119.800 0.059 0.000 2.212 698 Q HA 0.141 4.481 4.340 0.000 0.000 0.213 698 Q C -0.602 175.421 176.000 0.037 0.000 0.874 698 Q CA -0.130 55.696 55.803 0.038 0.000 0.965 698 Q CB 0.698 29.442 28.738 0.010 0.000 1.074 698 Q HN -0.073 nan 8.270 nan 0.000 0.473 699 V N 0.083 120.038 119.914 0.067 0.000 3.120 699 V HA 0.197 4.317 4.120 0.000 0.000 0.303 699 V C -0.935 175.282 176.094 0.205 0.000 1.238 699 V CA -1.029 61.326 62.300 0.091 0.000 1.008 699 V CB 2.697 34.503 31.823 -0.029 0.000 1.064 699 V HN 0.115 nan 8.190 nan 0.000 0.434 700 E N 2.027 122.373 120.200 0.245 0.000 2.130 700 E HA 0.401 4.751 4.350 0.000 0.000 0.284 700 E C -1.752 175.189 176.600 0.569 0.000 1.018 700 E CA -0.350 56.265 56.400 0.359 0.000 0.817 700 E CB 1.349 31.194 29.700 0.242 0.000 1.078 700 E HN 0.525 nan 8.360 nan 0.000 0.396 701 Y N 3.646 124.190 120.300 0.407 0.000 2.393 701 Y HA 0.431 4.981 4.550 0.000 0.000 0.341 701 Y C -1.493 174.500 175.900 0.155 0.000 0.988 701 Y CA -1.535 56.754 58.100 0.316 0.000 1.078 701 Y CB 1.010 39.699 38.460 0.382 0.000 1.203 701 Y HN 0.388 nan 8.280 nan 0.000 0.453 702 L N 7.850 128.784 121.223 -0.481 0.000 2.345 702 L HA 0.525 4.865 4.340 0.000 0.000 0.274 702 L C -2.106 174.319 176.870 -0.741 0.000 0.999 702 L CA -0.732 53.675 54.840 -0.722 0.000 0.849 702 L CB 1.022 42.310 42.059 -1.286 0.000 1.220 702 L HN 0.640 nan 8.230 nan 0.000 0.422 703 L N 6.582 127.436 121.223 -0.615 0.000 2.272 703 L HA 0.632 4.972 4.340 0.000 0.000 0.289 703 L C -0.891 175.845 176.870 -0.223 0.000 1.032 703 L CA 0.113 54.656 54.840 -0.495 0.000 0.810 703 L CB 0.913 42.695 42.059 -0.461 0.000 1.205 703 L HN 0.557 nan 8.230 nan 0.000 0.422 704 I N 4.699 125.145 120.570 -0.207 0.000 2.465 704 I HA 0.433 4.603 4.170 0.000 0.000 0.291 704 I C -0.961 175.123 176.117 -0.055 0.000 1.014 704 I CA -0.659 60.575 61.300 -0.110 0.000 1.093 704 I CB 1.816 39.706 38.000 -0.183 0.000 1.267 704 I HN 0.656 nan 8.210 nan 0.000 0.431 705 H N 2.435 121.561 119.070 0.094 0.000 2.996 705 H HA 0.546 5.102 4.556 0.000 0.000 0.368 705 H C -0.328 175.214 175.328 0.356 0.000 1.185 705 H CA -0.661 55.501 56.048 0.190 0.000 1.160 705 H CB 2.160 32.035 29.762 0.188 0.000 1.820 705 H HN 0.719 nan 8.280 nan 0.000 0.547 706 G N 1.366 110.551 108.800 0.642 0.000 2.353 706 G HA2 0.150 4.110 3.960 0.000 0.000 0.284 706 G HA3 0.150 4.110 3.960 0.000 0.000 0.284 706 G C 0.747 175.857 174.900 0.350 0.000 1.172 706 G CA -0.162 45.216 45.100 0.463 0.000 0.854 706 G HN 0.719 nan 8.290 nan 0.000 0.485 707 T N 2.051 116.679 114.554 0.124 0.000 2.759 707 T HA -0.100 4.250 4.350 0.000 0.000 0.269 707 T C 2.056 176.660 174.700 -0.161 0.000 1.042 707 T CA 1.944 63.946 62.100 -0.162 0.000 1.140 707 T CB -0.045 68.795 68.868 -0.047 0.000 0.864 707 T HN 0.654 nan 8.240 nan 0.000 0.455 708 A N 1.197 123.975 122.820 -0.070 0.000 3.003 708 A HA 0.257 4.577 4.320 0.000 0.000 0.301 708 A C 0.097 177.471 177.584 -0.351 0.000 1.280 708 A CA -0.448 51.378 52.037 -0.351 0.000 0.973 708 A CB -0.041 19.050 19.000 0.152 0.000 1.110 708 A HN 0.222 nan 8.150 nan 0.000 0.590 709 D N 1.515 121.831 120.400 -0.140 0.000 2.344 709 D HA -0.005 4.635 4.640 0.000 0.000 0.253 709 D C 0.224 176.519 176.300 -0.008 0.000 1.255 709 D CA 0.108 54.173 54.000 0.108 0.000 0.894 709 D CB 0.704 41.748 40.800 0.407 0.000 1.067 709 D HN 0.602 nan 8.370 nan 0.000 0.492 710 D N 2.346 122.770 120.400 0.040 0.000 2.349 710 D HA -0.124 4.516 4.640 0.000 0.000 0.215 710 D C 0.897 177.197 176.300 0.001 0.000 1.016 710 D CA -0.148 53.874 54.000 0.037 0.000 0.870 710 D CB 0.485 41.288 40.800 0.006 0.000 0.917 710 D HN 0.206 nan 8.370 nan 0.000 0.524 711 N N 0.845 119.610 118.700 0.109 0.000 2.324 711 N HA -0.043 4.697 4.740 0.000 0.000 0.192 711 N C 0.015 175.462 175.510 -0.105 0.000 1.046 711 N CA 0.587 53.712 53.050 0.125 0.000 0.898 711 N CB 0.475 38.968 38.487 0.011 0.000 1.079 711 N HN -0.094 nan 8.380 nan 0.000 0.456 712 V N 3.398 123.274 119.914 -0.063 0.000 2.270 712 V HA 0.176 4.296 4.120 0.000 0.000 0.263 712 V C 0.465 176.656 176.094 0.163 0.000 1.066 712 V CA -0.554 61.774 62.300 0.047 0.000 0.857 712 V CB 0.436 32.341 31.823 0.136 0.000 1.099 712 V HN 0.366 nan 8.190 nan 0.000 0.476 713 H N 3.722 122.810 119.070 0.030 0.000 2.545 713 H HA -0.220 4.336 4.556 0.000 0.000 0.294 713 H C 1.541 176.822 175.328 -0.078 0.000 1.077 713 H CA 1.563 57.562 56.048 -0.082 0.000 1.197 713 H CB -0.317 29.314 29.762 -0.218 0.000 1.347 713 H HN 0.811 nan 8.280 nan 0.000 0.594 714 F N -0.198 119.513 119.950 -0.398 0.000 2.548 714 F HA -0.456 4.071 4.527 0.000 0.000 0.640 714 F C 2.047 177.602 175.800 -0.408 0.000 0.495 714 F CA 1.983 59.470 58.000 -0.855 0.000 0.893 714 F CB -1.077 37.622 39.000 -0.501 0.000 1.722 714 F HN 0.324 nan 8.300 nan 0.000 0.261 715 Q N 0.790 120.482 119.800 -0.179 0.000 2.197 715 Q HA -0.269 4.071 4.340 0.000 0.000 0.207 715 Q C 1.749 177.516 176.000 -0.388 0.000 0.984 715 Q CA 2.100 57.740 55.803 -0.271 0.000 0.869 715 Q CB -0.257 28.297 28.738 -0.307 0.000 0.906 715 Q HN 0.808 nan 8.270 nan 0.000 0.426 716 Q N -0.255 119.376 119.800 -0.281 0.000 2.050 716 Q HA -0.102 4.238 4.340 0.000 0.000 0.202 716 Q C 2.210 178.126 176.000 -0.141 0.000 0.980 716 Q CA 1.708 57.456 55.803 -0.091 0.000 0.840 716 Q CB -0.089 28.683 28.738 0.056 0.000 0.898 716 Q HN 0.318 nan 8.270 nan 0.000 0.424 717 S N 0.772 116.296 115.700 -0.294 0.000 2.414 717 S HA 0.013 4.483 4.470 0.000 0.000 0.227 717 S C 2.039 176.394 174.600 -0.409 0.000 1.022 717 S CA 0.685 58.710 58.200 -0.291 0.000 0.958 717 S CB -0.066 62.999 63.200 -0.225 0.000 0.797 717 S HN 0.457 nan 8.310 nan 0.000 0.493 718 A N 1.015 123.473 122.820 -0.603 0.000 1.972 718 A HA -0.154 4.166 4.320 0.000 0.000 0.219 718 A C 2.072 179.532 177.584 -0.206 0.000 1.169 718 A CA 1.550 53.342 52.037 -0.409 0.000 0.635 718 A CB -0.532 18.257 19.000 -0.351 0.000 0.810 718 A HN 0.386 nan 8.150 nan 0.000 0.446 719 Q N -0.332 119.360 119.800 -0.180 0.000 2.245 719 Q HA 0.089 4.429 4.340 0.000 0.000 0.201 719 Q C 1.744 177.693 176.000 -0.085 0.000 0.955 719 Q CA 1.082 56.840 55.803 -0.075 0.000 0.870 719 Q CB -0.305 28.457 28.738 0.041 0.000 0.945 719 Q HN 0.737 nan 8.270 nan 0.000 0.461 720 I N -0.377 120.111 120.570 -0.137 0.000 2.193 720 I HA -0.253 3.917 4.170 0.000 0.000 0.240 720 I C 2.253 178.204 176.117 -0.276 0.000 1.084 720 I CA 1.235 62.412 61.300 -0.205 0.000 1.365 720 I CB -0.540 37.337 38.000 -0.205 0.000 1.064 720 I HN 0.255 nan 8.210 nan 0.000 0.410 721 S N 1.240 116.786 115.700 -0.256 0.000 2.353 721 S HA -0.317 4.153 4.470 0.000 0.000 0.222 721 S C 2.085 176.676 174.600 -0.016 0.000 1.035 721 S CA 1.677 59.766 58.200 -0.186 0.000 1.025 721 S CB -0.612 62.633 63.200 0.076 0.000 0.902 721 S HN 0.369 nan 8.310 nan 0.000 0.440 722 K N 1.660 122.046 120.400 -0.023 0.000 2.113 722 K HA -0.104 4.217 4.320 0.000 0.000 0.208 722 K C 2.268 178.861 176.600 -0.011 0.000 1.047 722 K CA 1.325 57.614 56.287 0.004 0.000 0.928 722 K CB -0.668 31.823 32.500 -0.014 0.000 0.716 722 K HN 0.506 nan 8.250 nan 0.000 0.446 723 A N 1.036 123.818 122.820 -0.063 0.000 1.930 723 A HA -0.067 4.253 4.320 0.000 0.000 0.217 723 A C 2.075 179.613 177.584 -0.076 0.000 1.175 723 A CA 1.044 53.037 52.037 -0.074 0.000 0.627 723 A CB -0.409 18.522 19.000 -0.115 0.000 0.815 723 A HN 0.305 nan 8.150 nan 0.000 0.443 724 L N -0.570 120.581 121.223 -0.120 0.000 2.109 724 L HA -0.114 4.226 4.340 0.000 0.000 0.207 724 L C 2.454 179.393 176.870 0.115 0.000 1.086 724 L CA 0.751 55.557 54.840 -0.057 0.000 0.760 724 L CB -0.496 41.452 42.059 -0.185 0.000 0.910 724 L HN 0.224 nan 8.230 nan 0.000 0.437 725 V N -0.235 119.775 119.914 0.160 0.000 2.343 725 V HA -0.273 3.847 4.120 0.000 0.000 0.247 725 V C 1.987 178.128 176.094 0.079 0.000 1.051 725 V CA 1.806 64.195 62.300 0.148 0.000 1.036 725 V CB -0.501 31.402 31.823 0.134 0.000 0.654 725 V HN 0.425 nan 8.190 nan 0.000 0.451 726 D N 0.455 120.885 120.400 0.050 0.000 2.219 726 D HA -0.038 4.602 4.640 0.000 0.000 0.205 726 D C 2.046 178.367 176.300 0.034 0.000 0.970 726 D CA 1.435 55.455 54.000 0.033 0.000 0.851 726 D CB -0.126 40.685 40.800 0.019 0.000 0.943 726 D HN 0.473 nan 8.370 nan 0.000 0.488 727 A N -0.138 122.704 122.820 0.036 0.000 2.169 727 A HA 0.382 4.702 4.320 0.000 0.000 0.212 727 A C 1.680 179.299 177.584 0.059 0.000 1.153 727 A CA 0.969 53.030 52.037 0.040 0.000 0.756 727 A CB -0.201 18.817 19.000 0.030 0.000 0.813 727 A HN 0.217 nan 8.150 nan 0.000 0.471 728 G N -0.945 107.898 108.800 0.072 0.000 2.225 728 G HA2 -0.148 3.812 3.960 0.000 0.000 0.264 728 G HA3 -0.148 3.812 3.960 0.000 0.000 0.264 728 G C -0.085 174.877 174.900 0.102 0.000 1.060 728 G CA 0.187 45.333 45.100 0.077 0.000 0.833 728 G HN 0.860 nan 8.290 nan 0.000 0.498 729 V N 0.498 120.500 119.914 0.146 0.000 2.370 729 V HA 0.465 4.585 4.120 0.000 0.000 0.283 729 V C 0.385 176.646 176.094 0.277 0.000 1.023 729 V CA -0.701 61.720 62.300 0.201 0.000 0.857 729 V CB 1.690 33.645 31.823 0.219 0.000 0.985 729 V HN 0.418 nan 8.190 nan 0.000 0.443 730 D N 3.997 124.521 120.400 0.206 0.000 2.341 730 D HA 0.576 5.216 4.640 0.000 0.000 0.245 730 D C -0.475 176.000 176.300 0.291 0.000 1.106 730 D CA 0.269 54.352 54.000 0.138 0.000 0.905 730 D CB 0.788 41.629 40.800 0.069 0.000 1.202 730 D HN 0.386 nan 8.370 nan 0.000 0.426 731 F N -0.915 119.119 119.950 0.141 0.000 2.877 731 F HA 0.455 4.982 4.527 0.000 0.000 0.319 731 F C -1.666 174.201 175.800 0.112 0.000 1.174 731 F CA -1.059 57.050 58.000 0.182 0.000 0.903 731 F CB 0.865 40.013 39.000 0.247 0.000 1.357 731 F HN 0.191 nan 8.300 nan 0.000 0.472 732 Q N 1.236 121.215 119.800 0.298 0.000 2.337 732 Q HA 0.798 5.138 4.340 0.000 0.000 0.266 732 Q C -1.077 175.022 176.000 0.165 0.000 1.023 732 Q CA -1.193 54.674 55.803 0.108 0.000 0.829 732 Q CB 2.448 31.264 28.738 0.130 0.000 1.306 732 Q HN 0.973 nan 8.270 nan 0.000 0.449 733 A N 2.310 125.182 122.820 0.086 0.000 2.387 733 A HA 0.924 5.244 4.320 0.000 0.000 0.303 733 A C -1.185 176.377 177.584 -0.036 0.000 1.145 733 A CA -0.606 51.494 52.037 0.105 0.000 0.801 733 A CB 1.860 21.017 19.000 0.262 0.000 1.342 733 A HN 0.654 nan 8.150 nan 0.000 0.440 734 M N 0.893 120.452 119.600 -0.069 0.000 2.331 734 M HA 0.480 4.960 4.480 0.000 0.000 0.249 734 M C -2.125 174.067 176.300 -0.181 0.000 1.010 734 M CA -0.514 54.597 55.300 -0.313 0.000 0.939 734 M CB 0.886 33.201 32.600 -0.475 0.000 2.126 734 M HN 0.937 nan 8.290 nan 0.000 0.472 735 W N 4.428 125.583 121.300 -0.241 0.000 2.516 735 W HA 0.783 5.443 4.660 0.000 0.000 0.343 735 W C -1.965 174.290 176.519 -0.440 0.000 1.094 735 W CA -0.858 56.413 57.345 -0.125 0.000 1.250 735 W CB 0.404 29.846 29.460 -0.030 0.000 1.308 735 W HN 0.628 nan 8.180 nan 0.000 0.588 736 Y N 2.615 123.015 120.300 0.166 0.000 2.464 736 Y HA 0.286 4.836 4.550 0.000 0.000 0.326 736 Y C 0.560 176.542 175.900 0.136 0.000 0.969 736 Y CA -0.930 57.187 58.100 0.028 0.000 1.270 736 Y CB 1.321 39.771 38.460 -0.017 0.000 1.103 736 Y HN 0.426 nan 8.280 nan 0.000 0.491 737 T N 4.560 119.236 114.554 0.203 0.000 2.866 737 T HA -0.057 4.293 4.350 0.000 0.000 0.293 737 T C 0.234 174.988 174.700 0.090 0.000 1.005 737 T CA 0.642 62.823 62.100 0.135 0.000 1.162 737 T CB -0.141 68.750 68.868 0.039 0.000 0.968 737 T HN 0.695 nan 8.240 nan 0.000 0.530 738 D N 0.916 121.353 120.400 0.061 0.000 3.039 738 D HA -0.126 4.514 4.640 0.000 0.000 0.222 738 D C 0.358 176.764 176.300 0.177 0.000 1.179 738 D CA 1.130 55.124 54.000 -0.011 0.000 0.880 738 D CB -0.337 40.258 40.800 -0.342 0.000 1.115 738 D HN 0.533 nan 8.370 nan 0.000 0.416 739 E N 0.487 120.804 120.200 0.196 0.000 2.319 739 E HA 0.220 4.570 4.350 0.000 0.000 0.268 739 E C 0.671 177.411 176.600 0.233 0.000 1.050 739 E CA -0.341 56.192 56.400 0.222 0.000 0.878 739 E CB 1.090 30.925 29.700 0.226 0.000 1.066 739 E HN 0.081 nan 8.360 nan 0.000 0.406 740 D N -0.170 120.376 120.400 0.243 0.000 2.348 740 D HA -0.057 4.583 4.640 0.000 0.000 0.272 740 D C 0.892 177.383 176.300 0.319 0.000 1.237 740 D CA 0.046 54.210 54.000 0.274 0.000 1.042 740 D CB 0.415 41.377 40.800 0.269 0.000 1.117 740 D HN 0.459 nan 8.370 nan 0.000 0.548 741 H N -1.646 117.580 119.070 0.260 0.000 2.548 741 H HA 0.236 4.792 4.556 0.000 0.000 0.268 741 H C 1.364 176.925 175.328 0.389 0.000 0.975 741 H CA 1.412 57.640 56.048 0.300 0.000 1.195 741 H CB 0.059 29.989 29.762 0.280 0.000 1.397 741 H HN 0.288 nan 8.280 nan 0.000 0.572 742 G N -0.235 108.714 108.800 0.249 0.000 3.126 742 G HA2 0.108 4.068 3.960 0.000 0.000 0.224 742 G HA3 0.108 4.068 3.960 0.000 0.000 0.224 742 G C 0.493 175.556 174.900 0.272 0.000 1.142 742 G CA 0.056 45.245 45.100 0.148 0.000 0.759 742 G HN 0.460 nan 8.290 nan 0.000 0.550 743 I N 0.259 120.994 120.570 0.275 0.000 3.906 743 I HA -0.344 3.826 4.170 0.000 0.000 0.126 743 I C 1.614 177.831 176.117 0.165 0.000 1.081 743 I CA 0.242 61.644 61.300 0.170 0.000 2.733 743 I CB -1.017 37.017 38.000 0.058 0.000 1.518 743 I HN 0.256 nan 8.210 nan 0.000 0.341 744 A N 1.178 124.078 122.820 0.133 0.000 2.387 744 A HA 0.302 4.622 4.320 0.000 0.000 0.234 744 A C 1.173 178.798 177.584 0.068 0.000 1.253 744 A CA 0.481 52.564 52.037 0.077 0.000 0.894 744 A CB 0.043 19.049 19.000 0.010 0.000 0.963 744 A HN 0.628 nan 8.150 nan 0.000 0.508 745 S N -0.767 114.991 115.700 0.098 0.000 2.584 745 S HA 0.202 4.672 4.470 0.000 0.000 0.270 745 S C 1.233 175.892 174.600 0.098 0.000 1.346 745 S CA 0.342 58.596 58.200 0.091 0.000 1.018 745 S CB 1.141 64.405 63.200 0.106 0.000 0.899 745 S HN 0.399 nan 8.310 nan 0.000 0.542 746 S N 1.809 117.556 115.700 0.077 0.000 2.365 746 S HA -0.181 4.289 4.470 0.000 0.000 0.221 746 S C 2.142 176.809 174.600 0.112 0.000 1.037 746 S CA 2.354 60.605 58.200 0.085 0.000 1.060 746 S CB -1.650 61.580 63.200 0.050 0.000 0.974 746 S HN 1.033 nan 8.310 nan 0.000 0.427 747 T N 0.496 115.106 114.554 0.093 0.000 2.720 747 T HA 0.033 4.383 4.350 0.000 0.000 0.268 747 T C 1.954 176.729 174.700 0.126 0.000 1.037 747 T CA 1.480 63.641 62.100 0.101 0.000 1.144 747 T CB -0.964 67.959 68.868 0.092 0.000 0.864 747 T HN 0.483 nan 8.240 nan 0.000 0.444 748 A N 1.583 124.466 122.820 0.106 0.000 1.898 748 A HA -0.094 4.226 4.320 0.000 0.000 0.216 748 A C 2.203 179.771 177.584 -0.027 0.000 1.181 748 A CA 1.993 54.051 52.037 0.036 0.000 0.620 748 A CB -1.208 17.788 19.000 -0.006 0.000 0.819 748 A HN 0.733 nan 8.150 nan 0.000 0.442 749 H N -0.010 119.053 119.070 -0.012 0.000 2.319 749 H HA -0.156 4.400 4.556 0.000 0.000 0.299 749 H C 2.088 177.481 175.328 0.107 0.000 1.092 749 H CA 2.398 58.477 56.048 0.052 0.000 1.302 749 H CB -0.219 29.583 29.762 0.067 0.000 1.373 749 H HN 0.596 nan 8.280 nan 0.000 0.497 750 Q N -0.995 118.770 119.800 -0.060 0.000 2.046 750 Q HA -0.181 4.159 4.340 0.000 0.000 0.200 750 Q C 2.263 178.234 176.000 -0.048 0.000 0.975 750 Q CA 1.257 56.993 55.803 -0.111 0.000 0.836 750 Q CB -0.280 28.443 28.738 -0.025 0.000 0.896 750 Q HN 0.615 nan 8.270 nan 0.000 0.428 751 H N 1.086 120.129 119.070 -0.044 0.000 2.319 751 H HA -0.125 4.431 4.556 0.000 0.000 0.299 751 H C 2.000 177.324 175.328 -0.007 0.000 1.092 751 H CA 1.551 57.612 56.048 0.022 0.000 1.302 751 H CB -0.179 29.659 29.762 0.127 0.000 1.373 751 H HN 0.286 nan 8.280 nan 0.000 0.497 752 I N -0.102 120.473 120.570 0.009 0.000 2.286 752 I HA -0.312 3.858 4.170 0.000 0.000 0.248 752 I C 1.775 177.682 176.117 -0.350 0.000 1.115 752 I CA 1.246 62.427 61.300 -0.197 0.000 1.392 752 I CB -0.261 37.368 38.000 -0.618 0.000 1.065 752 I HN 0.156 nan 8.210 nan 0.000 0.418 753 Y N 0.255 120.350 120.300 -0.342 0.000 2.337 753 Y HA -0.146 4.404 4.550 0.000 0.000 0.293 753 Y C 2.790 178.454 175.900 -0.393 0.000 1.123 753 Y CA 1.352 59.118 58.100 -0.556 0.000 1.201 753 Y CB -0.086 38.011 38.460 -0.605 0.000 1.011 753 Y HN 0.144 nan 8.280 nan 0.000 0.545 754 S N -1.151 114.456 115.700 -0.155 0.000 2.368 754 S HA -0.246 4.224 4.470 0.000 0.000 0.224 754 S C 1.663 176.041 174.600 -0.370 0.000 1.029 754 S CA 1.520 59.556 58.200 -0.274 0.000 0.988 754 S CB -0.467 62.603 63.200 -0.217 0.000 0.838 754 S HN 0.545 nan 8.310 nan 0.000 0.462 755 H N 1.288 120.225 119.070 -0.222 0.000 2.353 755 H HA 0.098 4.654 4.556 0.000 0.000 0.300 755 H C 2.003 177.318 175.328 -0.023 0.000 1.090 755 H CA 1.680 57.690 56.048 -0.064 0.000 1.327 755 H CB -0.151 29.630 29.762 0.031 0.000 1.383 755 H HN 0.299 nan 8.280 nan 0.000 0.508 756 M N -0.916 118.657 119.600 -0.044 0.000 2.200 756 M HA -0.129 4.351 4.480 0.000 0.000 0.265 756 M C 2.417 178.849 176.300 0.220 0.000 1.066 756 M CA 1.230 56.528 55.300 -0.003 0.000 1.127 756 M CB 0.118 32.509 32.600 -0.347 0.000 1.379 756 M HN 0.183 nan 8.290 nan 0.000 0.420 757 S N -0.357 115.460 115.700 0.194 0.000 2.353 757 S HA -0.166 4.304 4.470 0.000 0.000 0.222 757 S C 1.725 176.419 174.600 0.157 0.000 1.035 757 S CA 1.213 59.599 58.200 0.310 0.000 1.025 757 S CB -0.645 62.662 63.200 0.179 0.000 0.902 757 S HN 0.474 nan 8.310 nan 0.000 0.440 758 H N -0.095 119.045 119.070 0.116 0.000 2.421 758 H HA -0.021 4.535 4.556 0.000 0.000 0.298 758 H C 1.908 177.242 175.328 0.010 0.000 1.087 758 H CA 1.032 57.099 56.048 0.031 0.000 1.330 758 H CB -0.744 28.986 29.762 -0.052 0.000 1.388 758 H HN 0.446 nan 8.280 nan 0.000 0.526 759 F N 1.217 121.162 119.950 -0.008 0.000 2.134 759 F HA -0.126 4.401 4.527 0.000 0.000 0.299 759 F C 2.256 178.036 175.800 -0.035 0.000 1.097 759 F CA 0.888 58.862 58.000 -0.042 0.000 1.264 759 F CB -0.414 38.552 39.000 -0.056 0.000 1.001 759 F HN -0.008 nan 8.300 nan 0.000 0.479 760 L N -0.375 120.841 121.223 -0.011 0.000 2.072 760 L HA -0.197 4.143 4.340 0.000 0.000 0.205 760 L C 2.494 179.266 176.870 -0.162 0.000 1.079 760 L CA 1.271 55.982 54.840 -0.215 0.000 0.752 760 L CB -0.773 41.256 42.059 -0.051 0.000 0.906 760 L HN 0.180 nan 8.230 nan 0.000 0.436 761 Q N -0.370 119.441 119.800 0.018 0.000 2.061 761 Q HA -0.276 4.064 4.340 0.000 0.000 0.204 761 Q C 2.260 178.264 176.000 0.007 0.000 0.984 761 Q CA 1.793 57.642 55.803 0.077 0.000 0.846 761 Q CB -0.089 28.735 28.738 0.143 0.000 0.902 761 Q HN 0.554 nan 8.270 nan 0.000 0.421 762 Q N -0.351 119.405 119.800 -0.074 0.000 2.020 762 Q HA -0.192 4.148 4.340 0.000 0.000 0.202 762 Q C 2.464 178.367 176.000 -0.160 0.000 0.982 762 Q CA 1.431 57.167 55.803 -0.111 0.000 0.838 762 Q CB -0.479 28.168 28.738 -0.152 0.000 0.899 762 Q HN 0.460 nan 8.270 nan 0.000 0.423 763 c N 0.204 118.595 118.600 -0.348 0.000 2.413 763 c HA -0.131 4.440 4.570 0.000 0.000 0.277 763 c C 2.069 176.110 174.090 -0.081 0.000 1.265 763 c CA 0.616 56.736 56.329 -0.348 0.000 1.752 763 c CB -1.015 41.099 42.510 -0.659 0.000 1.998 763 c HN 0.497 nan 8.230 nan 0.000 0.489 764 F N 0.828 120.731 119.950 -0.077 0.000 2.732 764 F HA 0.119 4.646 4.527 0.000 0.000 0.303 764 F C 1.603 177.386 175.800 -0.029 0.000 1.110 764 F CA 0.201 58.180 58.000 -0.035 0.000 1.355 764 F CB -0.020 38.969 39.000 -0.019 0.000 1.081 764 F HN 0.240 nan 8.300 nan 0.000 0.565 765 S N 0.234 116.015 115.700 0.134 0.000 3.380 765 S HA -0.219 4.251 4.470 0.000 0.000 0.300 765 S C 0.787 175.424 174.600 0.062 0.000 1.255 765 S CA 0.602 58.843 58.200 0.069 0.000 0.963 765 S CB -2.061 61.170 63.200 0.053 0.000 1.106 765 S HN 0.360 nan 8.310 nan 0.000 0.629 766 L N 0.256 121.533 121.223 0.089 0.000 2.589 766 L HA 0.453 4.793 4.340 0.000 0.000 0.146 766 L C 1.470 178.375 176.870 0.058 0.000 1.557 766 L CA -0.370 54.513 54.840 0.071 0.000 3.084 766 L CB -0.555 41.561 42.059 0.096 0.000 3.028 766 L HN 0.472 nan 8.230 nan 0.000 0.925 767 R N 0.000 120.544 120.500 0.073 0.000 2.786 767 R HA 0.000 4.340 4.340 0.000 0.000 0.208 767 R CA 0.000 56.142 56.100 0.070 0.000 0.921 767 R CB 0.000 30.346 30.300 0.077 0.000 0.687 767 R HN 0.000 nan 8.270 nan 0.000 0.535