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_A 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 0.090 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 0.012 120.570 120.500 0.097 0.000 2.428 39 R HA 0.960 5.300 4.340 -0.001 0.000 0.294 39 R C 0.725 177.096 176.300 0.118 0.000 1.000 39 R CA 0.418 56.584 56.100 0.111 0.000 0.960 39 R CB 0.583 30.962 30.300 0.131 0.000 1.076 39 R HN 1.599 nan 8.270 nan 0.000 0.475 40 T N -0.471 114.159 114.554 0.126 0.000 2.912 40 T HA 0.510 4.859 4.350 -0.001 0.000 0.280 40 T C -0.347 174.481 174.700 0.214 0.000 0.989 40 T CA -0.467 61.714 62.100 0.135 0.000 0.995 40 T CB 0.478 69.409 68.868 0.106 0.000 1.077 40 T HN 0.690 nan 8.240 nan 0.000 0.531 41 Y N 2.201 122.557 120.300 0.093 0.000 2.585 41 Y HA 0.484 5.033 4.550 -0.001 0.000 0.354 41 Y C 1.076 177.151 175.900 0.292 0.000 1.024 41 Y CA -0.537 57.665 58.100 0.170 0.000 1.321 41 Y CB -0.573 37.943 38.460 0.094 0.000 1.151 41 Y HN 0.928 nan 8.280 nan 0.000 0.525 42 T N 3.583 118.171 114.554 0.056 0.000 2.856 42 T HA 0.369 4.718 4.350 -0.001 0.000 0.306 42 T C 1.540 176.230 174.700 -0.018 0.000 1.062 42 T CA 0.075 62.245 62.100 0.118 0.000 1.083 42 T CB 0.314 69.210 68.868 0.046 0.000 0.984 42 T HN 0.950 nan 8.240 nan 0.000 0.542 43 L N 0.921 122.031 121.223 -0.189 0.000 2.201 43 L HA 0.387 4.726 4.340 -0.001 0.000 0.212 43 L C 3.059 179.785 176.870 -0.241 0.000 1.105 43 L CA 2.488 56.919 54.840 -0.681 0.000 0.775 43 L CB -1.927 39.492 42.059 -1.067 0.000 0.913 43 L HN 1.110 nan 8.230 nan 0.000 0.440 44 A N -1.056 121.667 122.820 -0.161 0.000 1.968 44 A HA -0.159 4.161 4.320 -0.001 0.000 0.217 44 A C 2.126 179.630 177.584 -0.134 0.000 1.169 44 A CA 1.211 53.178 52.037 -0.118 0.000 0.638 44 A CB -0.599 18.356 19.000 -0.075 0.000 0.812 44 A HN 0.608 nan 8.150 nan 0.000 0.446 45 D N -1.536 118.749 120.400 -0.192 0.000 2.149 45 D HA -0.165 4.475 4.640 -0.001 0.000 0.198 45 D C 1.580 177.798 176.300 -0.138 0.000 0.990 45 D CA 1.544 55.401 54.000 -0.239 0.000 0.839 45 D CB -0.237 40.261 40.800 -0.502 0.000 0.948 45 D HN 0.623 nan 8.370 nan 0.000 0.460 46 Y N 1.206 121.339 120.300 -0.279 0.000 2.176 46 Y HA -0.000 4.549 4.550 -0.001 0.000 0.291 46 Y C 2.214 178.108 175.900 -0.011 0.000 1.122 46 Y CA 0.978 59.064 58.100 -0.022 0.000 1.128 46 Y CB -0.594 37.882 38.460 0.027 0.000 1.005 46 Y HN -0.153 nan 8.280 nan 0.000 0.509 47 L N 0.271 121.316 121.223 -0.296 0.000 2.042 47 L HA -0.215 4.125 4.340 -0.001 0.000 0.210 47 L C 1.836 178.588 176.870 -0.196 0.000 1.076 47 L CA 1.534 56.173 54.840 -0.335 0.000 0.749 47 L CB -0.496 41.444 42.059 -0.199 0.000 0.893 47 L HN 0.135 nan 8.230 nan 0.000 0.432 48 K N 0.002 120.319 120.400 -0.138 0.000 2.404 48 K HA 0.038 4.357 4.320 -0.001 0.000 0.194 48 K C 0.178 176.727 176.600 -0.085 0.000 1.023 48 K CA -0.126 56.102 56.287 -0.097 0.000 1.094 48 K CB -0.447 32.000 32.500 -0.088 0.000 0.841 48 K HN 0.188 nan 8.250 nan 0.000 0.523 49 N N 1.472 120.126 118.700 -0.077 0.000 2.696 49 N HA -0.175 4.564 4.740 -0.001 0.000 0.256 49 N C 0.149 175.645 175.510 -0.023 0.000 1.031 49 N CA 0.892 53.940 53.050 -0.004 0.000 0.730 49 N CB -1.256 37.224 38.487 -0.011 0.000 0.894 49 N HN 0.098 nan 8.380 nan 0.000 0.544 50 T N -0.070 114.429 114.554 -0.092 0.000 2.708 50 T HA -0.067 4.282 4.350 -0.001 0.000 0.266 50 T C 0.481 174.929 174.700 -0.420 0.000 1.037 50 T CA 1.398 63.288 62.100 -0.350 0.000 1.146 50 T CB -0.206 68.274 68.868 -0.647 0.000 0.865 50 T HN 0.403 nan 8.240 nan 0.000 0.435 51 F N 2.292 122.345 119.950 0.171 0.000 2.313 51 F HA 0.403 4.930 4.527 -0.001 0.000 0.369 51 F C 0.551 176.452 175.800 0.167 0.000 1.109 51 F CA -1.329 56.781 58.000 0.182 0.000 1.132 51 F CB 0.430 39.582 39.000 0.253 0.000 1.291 51 F HN -0.121 nan 8.300 nan 0.000 0.496 52 R N 2.771 123.414 120.500 0.239 0.000 2.389 52 R HA 0.501 4.840 4.340 -0.001 0.000 0.295 52 R C -1.384 175.040 176.300 0.208 0.000 1.075 52 R CA -0.301 55.909 56.100 0.182 0.000 1.005 52 R CB 0.893 31.259 30.300 0.110 0.000 0.987 52 R HN 0.472 nan 8.270 nan 0.000 0.452 53 V N 5.811 125.848 119.914 0.206 0.000 2.350 53 V HA 0.235 4.355 4.120 -0.001 0.000 0.276 53 V C 0.106 176.306 176.094 0.177 0.000 1.028 53 V CA -0.587 61.846 62.300 0.221 0.000 0.860 53 V CB 1.240 33.234 31.823 0.284 0.000 0.990 53 V HN 0.818 nan 8.190 nan 0.000 0.453 54 K N 2.804 123.302 120.400 0.164 0.000 2.098 54 K HA 0.746 5.066 4.320 -0.001 0.000 0.244 54 K C 0.158 176.850 176.600 0.154 0.000 1.014 54 K CA -0.347 56.020 56.287 0.135 0.000 0.917 54 K CB 1.433 34.007 32.500 0.123 0.000 1.072 54 K HN 0.840 nan 8.250 nan 0.000 0.477 55 S N -0.454 115.246 115.700 -0.000 0.000 2.688 55 S HA 0.344 4.814 4.470 -0.001 0.000 0.275 55 S C -1.779 172.576 174.600 -0.408 0.000 1.175 55 S CA -0.890 57.067 58.200 -0.405 0.000 0.818 55 S CB 0.764 63.772 63.200 -0.320 0.000 1.157 55 S HN 0.601 nan 8.310 nan 0.000 0.482 56 Y N 1.256 120.970 120.300 -0.976 0.000 2.681 56 Y HA 0.559 5.108 4.550 -0.001 0.000 0.347 56 Y C -0.636 175.078 175.900 -0.310 0.000 1.029 56 Y CA -0.401 57.446 58.100 -0.421 0.000 1.279 56 Y CB 1.237 39.443 38.460 -0.423 0.000 1.096 56 Y HN 0.751 nan 8.280 nan 0.000 0.580 57 S N 6.502 122.052 115.700 -0.251 0.000 2.409 57 S HA 0.425 4.895 4.470 -0.001 0.000 0.308 57 S C -0.590 173.880 174.600 -0.218 0.000 1.080 57 S CA -0.629 57.457 58.200 -0.190 0.000 1.081 57 S CB -0.392 62.728 63.200 -0.134 0.000 1.009 57 S HN 0.553 nan 8.310 nan 0.000 0.502 58 L N 1.556 122.610 121.223 -0.282 0.000 2.365 58 L HA 0.735 5.074 4.340 -0.001 0.000 0.267 58 L C 0.064 176.786 176.870 -0.245 0.000 1.033 58 L CA -0.772 53.846 54.840 -0.369 0.000 0.802 58 L CB 0.349 41.854 42.059 -0.923 0.000 1.267 58 L HN 0.318 nan 8.230 nan 0.000 0.457 59 R N 0.546 120.958 120.500 -0.146 0.000 2.407 59 R HA 0.287 4.626 4.340 -0.001 0.000 0.298 59 R C -1.631 174.715 176.300 0.077 0.000 1.166 59 R CA -0.272 55.822 56.100 -0.011 0.000 1.006 59 R CB 0.810 31.149 30.300 0.065 0.000 1.145 59 R HN 0.675 nan 8.270 nan 0.000 0.538 60 W N 2.703 124.093 121.300 0.151 0.000 2.417 60 W HA -0.046 4.613 4.660 -0.001 0.000 0.332 60 W C 1.137 177.738 176.519 0.137 0.000 1.413 60 W CA -0.323 57.129 57.345 0.179 0.000 1.299 60 W CB 0.548 30.099 29.460 0.152 0.000 1.304 60 W HN 0.362 nan 8.180 nan 0.000 0.565 61 V N 2.535 122.697 119.914 0.413 0.000 3.263 61 V HA -0.014 4.105 4.120 -0.001 0.000 0.248 61 V C 0.935 177.157 176.094 0.213 0.000 1.145 61 V CA 1.291 63.726 62.300 0.225 0.000 1.107 61 V CB -0.134 31.751 31.823 0.103 0.000 0.797 61 V HN 0.597 nan 8.190 nan 0.000 0.467 62 S N -1.240 114.627 115.700 0.278 0.000 3.121 62 S HA 0.334 4.804 4.470 -0.001 0.000 0.324 62 S C 0.170 174.861 174.600 0.153 0.000 1.192 62 S CA 0.108 58.419 58.200 0.186 0.000 0.937 62 S CB 1.434 64.727 63.200 0.156 0.000 1.336 62 S HN 0.049 nan 8.310 nan 0.000 0.664 63 D N 0.250 120.707 120.400 0.095 0.000 2.340 63 D HA 0.236 4.875 4.640 -0.001 0.000 0.220 63 D C 1.144 177.526 176.300 0.137 0.000 1.039 63 D CA 0.985 54.995 54.000 0.017 0.000 0.866 63 D CB 0.125 40.932 40.800 0.012 0.000 0.913 63 D HN 0.508 nan 8.370 nan 0.000 0.523 64 S N -2.188 113.657 115.700 0.243 0.000 2.820 64 S HA 0.289 4.758 4.470 -0.001 0.000 0.265 64 S C 0.329 175.101 174.600 0.287 0.000 1.043 64 S CA -0.674 57.724 58.200 0.330 0.000 1.245 64 S CB 0.801 64.175 63.200 0.290 0.000 1.187 64 S HN 0.037 nan 8.310 nan 0.000 0.673 65 E N 0.445 120.873 120.200 0.380 0.000 2.393 65 E HA 0.644 4.994 4.350 -0.001 0.000 0.273 65 E C -1.711 175.146 176.600 0.428 0.000 0.918 65 E CA -1.050 55.512 56.400 0.271 0.000 0.773 65 E CB 2.206 31.979 29.700 0.121 0.000 1.275 65 E HN 0.434 nan 8.360 nan 0.000 0.451 66 Y N -0.906 119.489 120.300 0.157 0.000 2.644 66 Y HA 0.674 5.224 4.550 -0.000 0.000 0.338 66 Y C -1.747 174.165 175.900 0.020 0.000 1.119 66 Y CA -1.310 56.781 58.100 -0.014 0.000 1.060 66 Y CB 0.837 38.979 38.460 -0.531 0.000 1.294 66 Y HN 0.360 nan 8.280 nan 0.000 0.472 67 L N 2.205 123.597 121.223 0.282 0.000 2.331 67 L HA 0.555 4.895 4.340 -0.001 0.000 0.275 67 L C -1.452 175.636 176.870 0.363 0.000 1.022 67 L CA -1.028 53.945 54.840 0.221 0.000 0.812 67 L CB 1.906 44.005 42.059 0.068 0.000 1.257 67 L HN 0.792 nan 8.230 nan 0.000 0.435 68 Y N 2.181 122.585 120.300 0.173 0.000 2.441 68 Y HA 0.284 4.834 4.550 -0.001 0.000 0.334 68 Y C -0.710 175.203 175.900 0.021 0.000 1.061 68 Y CA -1.154 56.947 58.100 0.003 0.000 1.032 68 Y CB 1.661 40.022 38.460 -0.165 0.000 1.266 68 Y HN 0.417 nan 8.280 nan 0.000 0.441 69 K N 5.234 125.237 120.400 -0.662 0.000 2.285 69 K HA 0.252 4.572 4.320 -0.001 0.000 0.286 69 K C -1.025 175.178 176.600 -0.661 0.000 1.072 69 K CA -0.267 55.712 56.287 -0.514 0.000 0.913 69 K CB 0.578 32.859 32.500 -0.365 0.000 1.067 69 K HN 0.831 nan 8.250 nan 0.000 0.479 70 Q N 4.416 124.060 119.800 -0.260 0.000 2.303 70 Q HA 0.088 4.428 4.340 -0.001 0.000 0.267 70 Q C -1.190 174.761 176.000 -0.081 0.000 1.011 70 Q CA -0.258 55.503 55.803 -0.070 0.000 0.740 70 Q CB 1.006 29.875 28.738 0.220 0.000 1.250 70 Q HN 0.749 nan 8.270 nan 0.000 0.458 71 E N 3.171 123.318 120.200 -0.089 0.000 2.252 71 E HA -0.340 4.010 4.350 -0.001 0.000 0.218 71 E C -0.712 175.799 176.600 -0.148 0.000 1.253 71 E CA 0.425 56.774 56.400 -0.086 0.000 0.705 71 E CB -1.328 28.346 29.700 -0.044 0.000 1.172 71 E HN 0.864 nan 8.360 nan 0.000 0.369 72 N N 0.513 119.082 118.700 -0.217 0.000 2.725 72 N HA -0.172 4.568 4.740 -0.001 0.000 0.251 72 N C -1.088 174.156 175.510 -0.444 0.000 1.031 72 N CA 1.077 53.917 53.050 -0.349 0.000 0.720 72 N CB -0.732 37.606 38.487 -0.250 0.000 0.930 72 N HN 0.478 nan 8.380 nan 0.000 0.543 73 N N 0.668 119.142 118.700 -0.377 0.000 2.397 73 N HA 0.270 5.010 4.740 -0.001 0.000 0.291 73 N C -0.505 174.848 175.510 -0.262 0.000 1.065 73 N CA -0.535 52.329 53.050 -0.309 0.000 0.884 73 N CB 1.381 39.772 38.487 -0.159 0.000 1.551 73 N HN -0.034 nan 8.380 nan 0.000 0.487 74 I N 3.422 123.835 120.570 -0.262 0.000 2.337 74 I HA 0.328 4.498 4.170 -0.001 0.000 0.291 74 I C 0.297 176.452 176.117 0.063 0.000 1.046 74 I CA -0.209 61.012 61.300 -0.131 0.000 1.324 74 I CB 0.032 37.932 38.000 -0.166 0.000 1.409 74 I HN 0.270 nan 8.210 nan 0.000 0.494 75 L N 6.398 127.706 121.223 0.141 0.000 2.317 75 L HA 0.465 4.805 4.340 -0.001 0.000 0.281 75 L C -0.318 176.645 176.870 0.155 0.000 1.024 75 L CA -0.989 53.928 54.840 0.128 0.000 0.810 75 L CB 2.035 44.159 42.059 0.109 0.000 1.240 75 L HN 0.329 nan 8.230 nan 0.000 0.427 76 L N 3.015 124.233 121.223 -0.009 0.000 2.265 76 L HA 0.508 4.848 4.340 -0.001 0.000 0.288 76 L C -0.936 175.785 176.870 -0.248 0.000 1.058 76 L CA 0.440 55.249 54.840 -0.051 0.000 0.809 76 L CB 0.346 42.406 42.059 0.001 0.000 1.179 76 L HN 0.198 nan 8.230 nan 0.000 0.429 77 F N 3.499 123.179 119.950 -0.450 0.000 2.507 77 F HA 0.440 4.967 4.527 -0.000 0.000 0.327 77 F C 0.544 176.044 175.800 -0.500 0.000 1.068 77 F CA -0.649 57.001 58.000 -0.584 0.000 0.965 77 F CB 1.268 39.611 39.000 -1.095 0.000 1.192 77 F HN 0.515 nan 8.300 nan 0.000 0.476 78 N N 1.861 120.487 118.700 -0.124 0.000 2.546 78 N HA 0.410 5.150 4.740 -0.001 0.000 0.238 78 N C -0.990 174.468 175.510 -0.087 0.000 0.984 78 N CA -0.205 52.807 53.050 -0.064 0.000 0.935 78 N CB 1.287 39.777 38.487 0.004 0.000 1.122 78 N HN 0.737 nan 8.380 nan 0.000 0.510 79 A N 2.836 125.571 122.820 -0.141 0.000 2.520 79 A HA 0.281 4.601 4.320 -0.001 0.000 0.245 79 A C 0.894 178.153 177.584 -0.541 0.000 1.072 79 A CA 0.374 52.206 52.037 -0.342 0.000 0.761 79 A CB 0.111 18.752 19.000 -0.599 0.000 1.004 79 A HN 0.931 nan 8.150 nan 0.000 0.499 80 E N -0.010 119.960 120.200 -0.383 0.000 3.484 80 E HA -0.122 4.228 4.350 -0.001 0.000 0.131 80 E C -0.369 175.921 176.600 -0.517 0.000 0.716 80 E CA 1.228 57.390 56.400 -0.396 0.000 3.008 80 E CB -1.008 28.444 29.700 -0.414 0.000 1.247 80 E HN 0.877 nan 8.360 nan 0.000 0.746 81 H N -0.765 118.294 119.070 -0.019 0.000 2.637 81 H HA 0.550 5.106 4.556 -0.000 0.000 0.363 81 H C 1.046 176.373 175.328 -0.002 0.000 1.131 81 H CA -0.125 55.919 56.048 -0.007 0.000 1.183 81 H CB 1.582 31.340 29.762 -0.006 0.000 1.637 81 H HN 0.320 nan 8.280 nan 0.000 0.531 82 G N 2.028 110.899 108.800 0.119 0.000 2.537 82 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.220 82 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.220 82 G C 0.765 175.704 174.900 0.066 0.000 1.111 82 G CA 0.255 45.423 45.100 0.114 0.000 0.748 82 G HN 0.706 nan 8.290 nan 0.000 0.564 83 N N 0.514 119.239 118.700 0.041 0.000 1.792 83 N HA -0.034 4.705 4.740 -0.001 0.000 0.321 83 N C 0.904 176.310 175.510 -0.173 0.000 1.314 83 N CA 0.704 53.730 53.050 -0.039 0.000 0.814 83 N CB 0.347 38.842 38.487 0.012 0.000 1.073 83 N HN 0.391 nan 8.380 nan 0.000 0.503 84 S N 1.966 117.493 115.700 -0.287 0.000 2.702 84 S HA 0.796 5.266 4.470 -0.001 0.000 0.272 84 S C -0.243 174.148 174.600 -0.350 0.000 1.068 84 S CA -0.063 57.790 58.200 -0.578 0.000 0.964 84 S CB 1.529 64.215 63.200 -0.857 0.000 1.307 84 S HN 0.895 nan 8.310 nan 0.000 0.567 85 S N -0.950 114.543 115.700 -0.345 0.000 2.915 85 S HA 0.157 4.627 4.470 -0.001 0.000 0.274 85 S C -1.517 173.017 174.600 -0.111 0.000 0.746 85 S CA -0.842 57.256 58.200 -0.170 0.000 0.796 85 S CB -0.783 62.355 63.200 -0.104 0.000 1.004 85 S HN 0.757 nan 8.310 nan 0.000 0.549 86 I N 5.479 126.009 120.570 -0.066 0.000 2.533 86 I HA 0.202 4.372 4.170 -0.001 0.000 0.284 86 I C 0.904 177.043 176.117 0.037 0.000 1.109 86 I CA 0.089 61.373 61.300 -0.027 0.000 1.412 86 I CB 0.558 38.526 38.000 -0.052 0.000 1.396 86 I HN 0.776 nan 8.210 nan 0.000 0.543 87 F N 7.331 127.236 119.950 -0.075 0.000 2.453 87 F HA 0.370 4.897 4.527 -0.001 0.000 0.284 87 F C 0.351 176.123 175.800 -0.046 0.000 1.065 87 F CA 0.437 58.411 58.000 -0.043 0.000 1.411 87 F CB 0.549 39.539 39.000 -0.017 0.000 1.131 87 F HN 0.168 nan 8.300 nan 0.000 0.582 88 L N 1.012 122.241 121.223 0.009 0.000 2.455 88 L HA 0.314 4.654 4.340 -0.001 0.000 0.264 88 L C -0.803 175.976 176.870 -0.151 0.000 0.968 88 L CA -0.835 53.944 54.840 -0.102 0.000 0.827 88 L CB 2.347 44.395 42.059 -0.018 0.000 1.317 88 L HN -0.107 nan 8.230 nan 0.000 0.407 89 E N 1.552 121.660 120.200 -0.154 0.000 2.318 89 E HA 0.100 4.449 4.350 -0.001 0.000 0.265 89 E C 0.123 176.611 176.600 -0.188 0.000 1.069 89 E CA -0.542 55.768 56.400 -0.150 0.000 0.893 89 E CB 1.061 30.697 29.700 -0.105 0.000 1.076 89 E HN 0.480 nan 8.360 nan 0.000 0.414 90 N N 0.973 119.573 118.700 -0.167 0.000 2.184 90 N HA -0.166 4.574 4.740 -0.001 0.000 0.190 90 N C 1.251 176.700 175.510 -0.102 0.000 1.011 90 N CA 0.917 53.871 53.050 -0.159 0.000 0.867 90 N CB -0.027 38.399 38.487 -0.102 0.000 0.993 90 N HN 0.325 nan 8.380 nan 0.000 0.433 91 S N -0.892 114.760 115.700 -0.079 0.000 2.280 91 S HA -0.057 4.412 4.470 -0.001 0.000 0.204 91 S C 1.374 175.968 174.600 -0.010 0.000 1.402 91 S CA 2.082 60.255 58.200 -0.045 0.000 1.162 91 S CB -0.494 62.674 63.200 -0.055 0.000 0.673 91 S HN 0.545 nan 8.310 nan 0.000 0.428 92 T N 1.143 115.665 114.554 -0.054 0.000 11.885 92 T HA -0.340 4.009 4.350 -0.001 0.000 0.416 92 T C 1.205 175.910 174.700 0.007 0.000 1.443 92 T CA 2.485 64.525 62.100 -0.101 0.000 2.385 92 T CB -2.035 66.683 68.868 -0.249 0.000 2.858 92 T HN 0.494 nan 8.240 nan 0.000 0.894 93 F N 3.244 123.090 119.950 -0.174 0.000 2.257 93 F HA -0.122 4.404 4.527 -0.001 0.000 0.302 93 F C 2.485 178.223 175.800 -0.103 0.000 1.056 93 F CA 1.639 59.566 58.000 -0.121 0.000 1.353 93 F CB -0.423 38.514 39.000 -0.105 0.000 1.064 93 F HN 0.578 nan 8.300 nan 0.000 0.520 94 E N 0.270 120.511 120.200 0.069 0.000 2.472 94 E HA -0.036 4.313 4.350 -0.001 0.000 0.196 94 E C 1.927 178.500 176.600 -0.043 0.000 1.033 94 E CA 0.512 56.916 56.400 0.008 0.000 0.886 94 E CB -0.814 28.889 29.700 0.006 0.000 0.944 94 E HN 0.428 nan 8.360 nan 0.000 0.492 95 I N 1.038 121.569 120.570 -0.066 0.000 2.179 95 I HA -0.208 3.961 4.170 -0.001 0.000 0.242 95 I C 2.383 178.414 176.117 -0.145 0.000 1.088 95 I CA 1.898 63.146 61.300 -0.087 0.000 1.357 95 I CB -0.576 37.374 38.000 -0.084 0.000 1.051 95 I HN 0.128 nan 8.210 nan 0.000 0.409 96 F N 2.286 122.107 119.950 -0.215 0.000 2.869 96 F HA 0.569 5.095 4.527 -0.001 0.000 0.298 96 F C 1.555 177.234 175.800 -0.203 0.000 1.235 96 F CA -0.133 57.657 58.000 -0.351 0.000 1.402 96 F CB -1.779 36.873 39.000 -0.580 0.000 1.142 96 F HN 0.295 nan 8.300 nan 0.000 0.529 97 G N 1.062 109.790 108.800 -0.120 0.000 2.685 97 G HA2 -0.417 3.543 3.960 -0.001 0.000 0.329 97 G HA3 -0.417 3.543 3.960 -0.001 0.000 0.329 97 G C 0.684 175.565 174.900 -0.030 0.000 1.271 97 G CA 0.756 45.819 45.100 -0.061 0.000 1.003 97 G HN 1.105 nan 8.290 nan 0.000 0.549 98 D N -0.134 120.258 120.400 -0.013 0.000 2.513 98 D HA 0.202 4.841 4.640 -0.001 0.000 0.222 98 D C 1.599 177.909 176.300 0.017 0.000 1.210 98 D CA 1.003 55.008 54.000 0.008 0.000 0.825 98 D CB 0.033 40.837 40.800 0.008 0.000 1.037 98 D HN 0.783 nan 8.370 nan 0.000 0.506 99 S N -0.052 115.659 115.700 0.017 0.000 2.572 99 S HA 0.165 4.635 4.470 -0.001 0.000 0.228 99 S C 0.845 175.490 174.600 0.074 0.000 0.963 99 S CA -0.522 57.712 58.200 0.055 0.000 0.939 99 S CB -0.148 63.113 63.200 0.101 0.000 0.804 99 S HN 0.077 nan 8.310 nan 0.000 0.480 100 I N 3.738 124.322 120.570 0.025 0.000 2.577 100 I HA 0.083 4.252 4.170 -0.001 0.000 0.299 100 I C 1.674 177.805 176.117 0.023 0.000 1.157 100 I CA 0.156 61.450 61.300 -0.011 0.000 1.418 100 I CB -0.262 37.662 38.000 -0.127 0.000 1.467 100 I HN 0.413 nan 8.210 nan 0.000 0.624 101 S N 4.349 120.063 115.700 0.023 0.000 2.368 101 S HA -0.095 4.375 4.470 -0.001 0.000 0.224 101 S C 0.692 175.303 174.600 0.019 0.000 1.029 101 S CA 1.272 59.464 58.200 -0.015 0.000 0.988 101 S CB 0.255 63.449 63.200 -0.010 0.000 0.838 101 S HN 0.785 nan 8.310 nan 0.000 0.462 102 D N -2.266 118.166 120.400 0.054 0.000 2.713 102 D HA 0.398 5.037 4.640 -0.001 0.000 0.306 102 D C -1.711 174.693 176.300 0.173 0.000 1.299 102 D CA -0.555 53.523 54.000 0.131 0.000 0.823 102 D CB 1.024 41.874 40.800 0.084 0.000 1.353 102 D HN 0.289 nan 8.370 nan 0.000 0.447 103 Y N -1.204 119.175 120.300 0.131 0.000 2.562 103 Y HA 0.760 5.309 4.550 -0.001 0.000 0.345 103 Y C -1.374 174.669 175.900 0.238 0.000 1.045 103 Y CA -0.907 57.289 58.100 0.160 0.000 1.028 103 Y CB 1.910 40.503 38.460 0.223 0.000 1.297 103 Y HN 0.181 nan 8.280 nan 0.000 0.463 104 S N 2.405 118.279 115.700 0.290 0.000 2.736 104 S HA 0.609 5.078 4.470 -0.001 0.000 0.285 104 S C -1.870 173.068 174.600 0.563 0.000 1.163 104 S CA -0.582 57.792 58.200 0.290 0.000 1.025 104 S CB 0.912 64.290 63.200 0.296 0.000 1.030 104 S HN 0.721 nan 8.310 nan 0.000 0.486 105 V N 5.299 125.463 119.914 0.416 0.000 2.432 105 V HA 0.417 4.537 4.120 -0.001 0.000 0.275 105 V C 0.812 176.844 176.094 -0.105 0.000 1.043 105 V CA -0.525 61.959 62.300 0.307 0.000 0.925 105 V CB 1.241 33.239 31.823 0.291 0.000 0.985 105 V HN 1.023 nan 8.190 nan 0.000 0.466 106 S N 7.237 122.553 115.700 -0.639 0.000 2.563 106 S HA 0.107 4.577 4.470 -0.001 0.000 0.284 106 S C -1.100 173.198 174.600 -0.503 0.000 1.331 106 S CA -0.522 56.804 58.200 -1.456 0.000 1.047 106 S CB 0.554 62.801 63.200 -1.589 0.000 0.859 106 S HN 0.667 nan 8.310 nan 0.000 0.514 107 P HA -0.122 nan 4.420 nan 0.000 0.219 107 P C 0.541 177.805 177.300 -0.060 0.000 1.146 107 P CA 1.301 64.332 63.100 -0.115 0.000 0.808 107 P CB -0.239 31.426 31.700 -0.059 0.000 0.779 108 D N -0.437 119.923 120.400 -0.067 0.000 2.370 108 D HA -0.008 4.632 4.640 -0.001 0.000 0.230 108 D C 0.296 176.602 176.300 0.011 0.000 1.143 108 D CA -0.421 53.584 54.000 0.008 0.000 0.834 108 D CB -0.575 40.272 40.800 0.077 0.000 0.944 108 D HN 0.096 nan 8.370 nan 0.000 0.504 109 R N -0.001 120.507 120.500 0.012 0.000 3.591 109 R HA -0.196 4.144 4.340 -0.001 0.000 0.268 109 R C 0.830 177.161 176.300 0.052 0.000 1.102 109 R CA 0.395 56.576 56.100 0.135 0.000 0.732 109 R CB -2.126 28.315 30.300 0.234 0.000 1.117 109 R HN 0.367 nan 8.270 nan 0.000 0.472 110 L N -1.207 119.947 121.223 -0.116 0.000 2.408 110 L HA 0.226 4.566 4.340 -0.001 0.000 0.215 110 L C 0.487 176.868 176.870 -0.814 0.000 1.081 110 L CA 0.703 55.264 54.840 -0.465 0.000 0.840 110 L CB 0.168 41.881 42.059 -0.577 0.000 1.002 110 L HN 0.008 nan 8.230 nan 0.000 0.468 111 F N -1.788 118.120 119.950 -0.071 0.000 2.650 111 F HA 0.610 5.137 4.527 -0.000 0.000 0.320 111 F C -0.433 175.497 175.800 0.216 0.000 1.091 111 F CA -1.117 56.920 58.000 0.063 0.000 0.962 111 F CB 1.655 40.736 39.000 0.135 0.000 1.363 111 F HN -0.567 nan 8.300 nan 0.000 0.482 112 V N 2.181 122.464 119.914 0.614 0.000 2.733 112 V HA 0.368 4.487 4.120 -0.001 0.000 0.306 112 V C -0.737 175.708 176.094 0.584 0.000 1.084 112 V CA -0.773 61.892 62.300 0.608 0.000 0.905 112 V CB 2.112 34.246 31.823 0.519 0.000 1.010 112 V HN 0.558 nan 8.190 nan 0.000 0.424 113 L N 5.236 126.814 121.223 0.591 0.000 2.290 113 L HA 0.495 4.834 4.340 -0.001 0.000 0.284 113 L C -0.680 176.380 176.870 0.316 0.000 1.078 113 L CA -0.230 54.838 54.840 0.381 0.000 0.815 113 L CB 0.931 43.132 42.059 0.236 0.000 1.162 113 L HN 0.466 nan 8.230 nan 0.000 0.435 114 L N 4.593 125.953 121.223 0.230 0.000 2.294 114 L HA 0.410 4.750 4.340 -0.001 0.000 0.283 114 L C 0.016 176.928 176.870 0.070 0.000 1.015 114 L CA -0.375 54.512 54.840 0.078 0.000 0.831 114 L CB 1.564 43.601 42.059 -0.037 0.000 1.217 114 L HN 0.594 nan 8.230 nan 0.000 0.420 115 E N 4.344 124.518 120.200 -0.044 0.000 2.249 115 E HA 0.472 4.822 4.350 -0.001 0.000 0.280 115 E C -1.587 174.952 176.600 -0.101 0.000 1.016 115 E CA -0.407 55.783 56.400 -0.350 0.000 0.830 115 E CB 1.098 30.684 29.700 -0.189 0.000 1.081 115 E HN 0.453 nan 8.360 nan 0.000 0.395 116 Y N 1.057 121.158 120.300 -0.332 0.000 2.641 116 Y HA 0.364 4.914 4.550 -0.001 0.000 0.333 116 Y C -0.732 175.100 175.900 -0.114 0.000 1.174 116 Y CA -1.419 56.582 58.100 -0.165 0.000 1.057 116 Y CB 0.642 39.012 38.460 -0.149 0.000 1.322 116 Y HN 0.590 nan 8.280 nan 0.000 0.457 117 N N -0.153 118.566 118.700 0.031 0.000 2.783 117 N HA -0.280 4.460 4.740 -0.001 0.000 0.247 117 N C -1.223 174.287 175.510 -0.001 0.000 1.089 117 N CA 0.849 53.894 53.050 -0.008 0.000 0.690 117 N CB -1.765 36.657 38.487 -0.109 0.000 0.991 117 N HN 0.883 nan 8.380 nan 0.000 0.552 118 Y N -0.015 120.238 120.300 -0.079 0.000 2.526 118 Y HA 0.335 4.884 4.550 -0.001 0.000 0.330 118 Y C 0.113 176.003 175.900 -0.017 0.000 1.156 118 Y CA -0.027 58.043 58.100 -0.051 0.000 1.419 118 Y CB 0.677 39.055 38.460 -0.138 0.000 1.250 118 Y HN -0.010 nan 8.280 nan 0.000 0.540 119 V N 7.862 127.664 119.914 -0.186 0.000 2.524 119 V HA 0.191 4.310 4.120 -0.001 0.000 0.297 119 V C -0.298 175.656 176.094 -0.232 0.000 1.035 119 V CA -1.369 60.879 62.300 -0.088 0.000 0.867 119 V CB 1.416 33.197 31.823 -0.070 0.000 1.004 119 V HN 0.783 nan 8.190 nan 0.000 0.426 120 K N 3.847 124.209 120.400 -0.063 0.000 2.286 120 K HA 0.350 4.670 4.320 -0.001 0.000 0.256 120 K C -0.283 176.220 176.600 -0.161 0.000 0.999 120 K CA -0.078 56.187 56.287 -0.036 0.000 0.908 120 K CB 0.625 33.213 32.500 0.146 0.000 0.981 120 K HN 0.765 nan 8.250 nan 0.000 0.500 121 Q N 3.523 123.185 119.800 -0.231 0.000 2.821 121 Q HA 0.103 4.442 4.340 -0.001 0.000 0.217 121 Q C -1.829 173.877 176.000 -0.489 0.000 0.775 121 Q CA -0.403 55.025 55.803 -0.625 0.000 0.930 121 Q CB 0.291 28.528 28.738 -0.835 0.000 1.511 121 Q HN 0.868 nan 8.270 nan 0.000 0.457 122 W N 1.087 122.420 121.300 0.054 0.000 3.081 122 W HA -0.323 4.337 4.660 -0.001 0.000 0.320 122 W C 1.060 177.544 176.519 -0.058 0.000 0.098 122 W CA -0.268 57.103 57.345 0.044 0.000 0.459 122 W CB -0.675 28.751 29.460 -0.057 0.000 2.853 122 W HN 0.667 nan 8.180 nan 0.000 0.416 123 R N -0.383 120.180 120.500 0.104 0.000 2.091 123 R HA -0.176 4.164 4.340 -0.001 0.000 0.238 123 R C 1.591 177.651 176.300 -0.399 0.000 1.136 123 R CA 2.490 58.439 56.100 -0.252 0.000 0.959 123 R CB -0.308 29.658 30.300 -0.557 0.000 0.856 123 R HN 0.536 nan 8.270 nan 0.000 0.437 124 H N -2.267 116.863 119.070 0.100 0.000 3.205 124 H HA 0.275 4.831 4.556 -0.001 0.000 0.252 124 H C 0.225 175.627 175.328 0.123 0.000 1.015 124 H CA -0.191 55.936 56.048 0.132 0.000 1.192 124 H CB 0.698 30.515 29.762 0.092 0.000 1.474 124 H HN -0.016 nan 8.280 nan 0.000 0.484 125 S N 1.315 116.979 115.700 -0.061 0.000 2.584 125 S HA 0.304 4.773 4.470 -0.001 0.000 0.270 125 S C -0.680 173.819 174.600 -0.168 0.000 1.346 125 S CA -0.231 57.642 58.200 -0.545 0.000 1.018 125 S CB 0.362 62.813 63.200 -1.248 0.000 0.899 125 S HN 0.500 nan 8.310 nan 0.000 0.542 126 Y N -2.410 117.729 120.300 -0.268 0.000 2.786 126 Y HA 0.502 5.051 4.550 -0.001 0.000 0.365 126 Y C -1.012 174.805 175.900 -0.138 0.000 1.171 126 Y CA -1.202 56.701 58.100 -0.327 0.000 1.214 126 Y CB 0.217 38.304 38.460 -0.622 0.000 1.411 126 Y HN 0.730 nan 8.280 nan 0.000 0.485 127 T N 0.548 115.075 114.554 -0.045 0.000 2.887 127 T HA 1.025 5.374 4.350 -0.001 0.000 0.288 127 T C -0.478 174.250 174.700 0.046 0.000 1.021 127 T CA -0.043 62.055 62.100 -0.003 0.000 1.000 127 T CB 1.769 70.633 68.868 -0.007 0.000 1.034 127 T HN 1.847 nan 8.240 nan 0.000 0.467 128 A N 1.457 124.317 122.820 0.066 0.000 2.567 128 A HA 0.861 5.180 4.320 -0.001 0.000 0.289 128 A C -0.534 176.901 177.584 -0.250 0.000 1.177 128 A CA -0.999 50.973 52.037 -0.108 0.000 0.694 128 A CB 1.292 20.208 19.000 -0.141 0.000 1.292 128 A HN 0.873 nan 8.150 nan 0.000 0.425 129 S N -0.761 114.529 115.700 -0.682 0.000 2.593 129 S HA 0.800 5.270 4.470 -0.001 0.000 0.297 129 S C -1.490 172.470 174.600 -1.067 0.000 1.112 129 S CA -0.113 57.614 58.200 -0.788 0.000 1.043 129 S CB 0.767 63.298 63.200 -1.115 0.000 1.054 129 S HN 0.453 nan 8.310 nan 0.000 0.516 130 Y N 0.111 120.169 120.300 -0.403 0.000 2.576 130 Y HA 0.623 5.173 4.550 -0.001 0.000 0.346 130 Y C 0.078 176.004 175.900 0.043 0.000 1.018 130 Y CA -0.777 57.234 58.100 -0.148 0.000 1.050 130 Y CB 2.184 40.504 38.460 -0.234 0.000 1.280 130 Y HN 0.560 nan 8.280 nan 0.000 0.474 131 S N 2.549 118.405 115.700 0.260 0.000 2.575 131 S HA 0.558 5.028 4.470 -0.001 0.000 0.278 131 S C -1.357 173.337 174.600 0.157 0.000 1.139 131 S CA -0.680 57.622 58.200 0.169 0.000 0.954 131 S CB 1.005 64.295 63.200 0.150 0.000 1.054 131 S HN 0.344 nan 8.310 nan 0.000 0.483 132 I N 3.294 123.927 120.570 0.105 0.000 2.342 132 I HA 0.266 4.435 4.170 -0.001 0.000 0.291 132 I C -0.525 175.732 176.117 0.233 0.000 1.010 132 I CA -0.445 60.953 61.300 0.163 0.000 1.308 132 I CB 0.338 38.356 38.000 0.030 0.000 1.400 132 I HN 0.715 nan 8.210 nan 0.000 0.488 133 Y N 5.537 125.961 120.300 0.206 0.000 2.331 133 Y HA 0.266 4.816 4.550 -0.001 0.000 0.338 133 Y C 0.128 176.153 175.900 0.209 0.000 0.976 133 Y CA -0.649 57.545 58.100 0.157 0.000 1.137 133 Y CB 0.853 39.379 38.460 0.110 0.000 1.172 133 Y HN 0.507 nan 8.280 nan 0.000 0.478 134 D N 6.765 126.908 120.400 -0.428 0.000 2.352 134 D HA 0.075 4.715 4.640 -0.001 0.000 0.245 134 D C 0.921 176.812 176.300 -0.682 0.000 1.224 134 D CA 0.355 54.142 54.000 -0.355 0.000 0.879 134 D CB 0.813 41.529 40.800 -0.139 0.000 1.057 134 D HN 0.875 nan 8.370 nan 0.000 0.491 135 L N 3.766 124.713 121.223 -0.460 0.000 1.970 135 L HA -0.235 4.105 4.340 -0.001 0.000 0.212 135 L C 2.146 178.839 176.870 -0.296 0.000 1.071 135 L CA 1.083 55.751 54.840 -0.287 0.000 0.751 135 L CB -0.484 41.411 42.059 -0.274 0.000 0.889 135 L HN 0.429 nan 8.230 nan 0.000 0.432 136 N N 0.686 119.184 118.700 -0.336 0.000 2.013 136 N HA -0.276 4.463 4.740 -0.001 0.000 0.195 136 N C 1.721 177.115 175.510 -0.194 0.000 1.051 136 N CA 1.734 54.639 53.050 -0.242 0.000 0.851 136 N CB -0.122 38.215 38.487 -0.250 0.000 1.044 136 N HN -0.042 nan 8.380 nan 0.000 0.422 137 K N 0.939 121.221 120.400 -0.198 0.000 2.519 137 K HA 0.047 4.366 4.320 -0.001 0.000 0.196 137 K C -0.425 176.075 176.600 -0.167 0.000 1.041 137 K CA 0.360 56.562 56.287 -0.141 0.000 0.954 137 K CB -0.128 32.322 32.500 -0.083 0.000 0.774 137 K HN 0.228 nan 8.250 nan 0.000 0.480 138 R N 0.838 121.186 120.500 -0.253 0.000 3.079 138 R HA -0.242 4.098 4.340 -0.001 0.000 0.254 138 R C -1.119 175.057 176.300 -0.205 0.000 0.900 138 R CA 1.184 57.159 56.100 -0.209 0.000 0.641 138 R CB -1.712 28.559 30.300 -0.048 0.000 1.307 138 R HN 0.655 nan 8.270 nan 0.000 0.477 139 Q N -1.302 118.164 119.800 -0.556 0.000 2.994 139 Q HA 0.331 4.670 4.340 -0.001 0.000 0.287 139 Q C -1.277 174.562 176.000 -0.267 0.000 0.916 139 Q CA -1.100 54.579 55.803 -0.206 0.000 0.806 139 Q CB 0.575 29.282 28.738 -0.053 0.000 1.711 139 Q HN 0.128 nan 8.270 nan 0.000 0.477 140 L N 1.909 123.165 121.223 0.055 0.000 2.361 140 L HA 0.385 4.724 4.340 -0.001 0.000 0.278 140 L C -0.089 176.804 176.870 0.039 0.000 1.113 140 L CA -0.508 54.392 54.840 0.100 0.000 0.849 140 L CB 0.179 42.320 42.059 0.137 0.000 1.155 140 L HN 0.559 nan 8.230 nan 0.000 0.452 141 I N 2.784 123.366 120.570 0.021 0.000 2.710 141 I HA -0.089 4.080 4.170 -0.001 0.000 0.286 141 I C 1.238 177.361 176.117 0.010 0.000 1.181 141 I CA 0.600 61.904 61.300 0.005 0.000 1.430 141 I CB 0.907 38.812 38.000 -0.157 0.000 1.367 141 I HN 0.664 nan 8.210 nan 0.000 0.577 142 T N 3.268 117.840 114.554 0.029 0.000 2.975 142 T HA 0.111 4.460 4.350 -0.001 0.000 0.261 142 T C 1.075 175.775 174.700 0.001 0.000 0.984 142 T CA 0.095 62.202 62.100 0.011 0.000 0.911 142 T CB 0.164 69.042 68.868 0.017 0.000 1.127 142 T HN 0.610 nan 8.240 nan 0.000 0.514 143 E N 1.548 121.760 120.200 0.019 0.000 1.983 143 E HA 0.063 4.413 4.350 -0.001 0.000 0.202 143 E C 0.622 177.205 176.600 -0.027 0.000 0.944 143 E CA 0.681 57.087 56.400 0.010 0.000 0.903 143 E CB -0.016 29.714 29.700 0.049 0.000 0.843 143 E HN 0.217 nan 8.360 nan 0.000 0.542 144 E N 2.342 122.523 120.200 -0.031 0.000 1.999 144 E HA 0.042 4.392 4.350 -0.001 0.000 0.296 144 E C -0.538 175.996 176.600 -0.111 0.000 1.187 144 E CA 0.160 56.520 56.400 -0.067 0.000 1.229 144 E CB -0.345 29.324 29.700 -0.050 0.000 1.131 144 E HN 0.185 nan 8.360 nan 0.000 0.478 145 K N 0.937 121.263 120.400 -0.123 0.000 2.188 145 K HA 0.219 4.538 4.320 -0.001 0.000 0.246 145 K C 0.777 177.219 176.600 -0.263 0.000 1.026 145 K CA -0.167 56.024 56.287 -0.160 0.000 0.871 145 K CB 0.822 33.246 32.500 -0.127 0.000 1.042 145 K HN 0.356 nan 8.250 nan 0.000 0.509 146 I N 2.466 122.840 120.570 -0.327 0.000 2.354 146 I HA 0.241 4.411 4.170 -0.001 0.000 0.292 146 I C -2.121 173.669 176.117 -0.545 0.000 0.989 146 I CA -2.551 58.412 61.300 -0.561 0.000 1.188 146 I CB 1.498 39.084 38.000 -0.690 0.000 1.342 146 I HN 0.435 nan 8.210 nan 0.000 0.457 147 P HA -0.174 nan 4.420 nan 0.000 0.265 147 P C -0.558 176.466 177.300 -0.461 0.000 1.151 147 P CA 0.651 63.243 63.100 -0.847 0.000 0.755 147 P CB 0.243 30.896 31.700 -1.745 0.000 0.756 148 N N 2.208 120.745 118.700 -0.272 0.000 2.441 148 N HA 0.007 4.747 4.740 -0.001 0.000 0.225 148 N C 0.371 175.878 175.510 -0.004 0.000 1.208 148 N CA -0.136 52.842 53.050 -0.119 0.000 0.847 148 N CB -0.183 38.261 38.487 -0.071 0.000 1.121 148 N HN 0.332 nan 8.380 nan 0.000 0.479 149 N N -0.074 118.687 118.700 0.102 0.000 2.297 149 N HA -0.016 4.724 4.740 -0.001 0.000 0.244 149 N C -1.105 174.589 175.510 0.307 0.000 1.412 149 N CA 0.016 53.190 53.050 0.206 0.000 0.837 149 N CB 0.628 39.283 38.487 0.281 0.000 1.336 149 N HN -0.003 nan 8.380 nan 0.000 0.508 150 T N 1.062 115.762 114.554 0.243 0.000 2.923 150 T HA -0.036 4.314 4.350 -0.001 0.000 0.304 150 T C 1.577 176.382 174.700 0.174 0.000 1.044 150 T CA 0.785 63.026 62.100 0.235 0.000 1.141 150 T CB 1.130 69.989 68.868 -0.016 0.000 1.023 150 T HN 0.201 nan 8.240 nan 0.000 0.533 151 Q N 1.273 121.173 119.800 0.167 0.000 2.376 151 Q HA 0.180 4.520 4.340 -0.001 0.000 0.206 151 Q C 0.148 176.223 176.000 0.125 0.000 0.921 151 Q CA 0.310 56.196 55.803 0.139 0.000 0.911 151 Q CB 0.746 29.533 28.738 0.082 0.000 1.032 151 Q HN 0.750 nan 8.270 nan 0.000 0.510 152 W N -0.262 120.935 121.300 -0.170 0.000 3.464 152 W HA 0.501 5.160 4.660 -0.000 0.000 0.292 152 W C -2.387 174.014 176.519 -0.195 0.000 1.262 152 W CA -0.686 56.519 57.345 -0.233 0.000 1.202 152 W CB 0.915 30.176 29.460 -0.331 0.000 1.334 152 W HN -0.099 nan 8.180 nan 0.000 0.561 153 I N 3.598 123.322 120.570 -1.411 0.000 3.004 153 I HA 0.680 4.849 4.170 -0.001 0.000 0.305 153 I C -1.483 173.952 176.117 -1.138 0.000 1.312 153 I CA -0.113 60.565 61.300 -1.036 0.000 0.992 153 I CB 2.598 39.988 38.000 -1.015 0.000 1.282 153 I HN 0.386 nan 8.210 nan 0.000 0.449 154 T N 3.458 117.660 114.554 -0.586 0.000 2.893 154 T HA 0.391 4.741 4.350 -0.001 0.000 0.337 154 T C -1.892 172.738 174.700 -0.118 0.000 1.587 154 T CA -0.347 61.578 62.100 -0.292 0.000 1.066 154 T CB 0.586 69.478 68.868 0.039 0.000 1.414 154 T HN 0.547 nan 8.240 nan 0.000 0.488 155 W N 2.339 123.638 121.300 -0.001 0.000 2.213 155 W HA 0.562 5.222 4.660 -0.000 0.000 0.356 155 W C 1.367 177.746 176.519 -0.233 0.000 1.273 155 W CA -0.426 56.868 57.345 -0.084 0.000 1.391 155 W CB 0.703 30.134 29.460 -0.049 0.000 1.187 155 W HN 0.839 nan 8.180 nan 0.000 0.649 156 S N -0.141 115.369 115.700 -0.316 0.000 2.625 156 S HA 0.089 4.558 4.470 -0.001 0.000 0.262 156 S C 0.540 175.016 174.600 -0.206 0.000 1.223 156 S CA -0.374 57.301 58.200 -0.874 0.000 0.993 156 S CB 0.517 63.024 63.200 -1.155 0.000 1.051 156 S HN 0.649 nan 8.310 nan 0.000 0.562 157 Q N -0.150 119.570 119.800 -0.133 0.000 2.424 157 Q HA 0.083 4.422 4.340 -0.001 0.000 0.204 157 Q C 0.631 176.607 176.000 -0.041 0.000 0.933 157 Q CA 0.565 56.368 55.803 0.001 0.000 0.929 157 Q CB 0.085 28.858 28.738 0.058 0.000 1.037 157 Q HN 0.657 nan 8.270 nan 0.000 0.511 158 E N -0.046 120.079 120.200 -0.125 0.000 3.271 158 E HA 0.148 4.498 4.350 -0.001 0.000 0.331 158 E C 1.120 177.642 176.600 -0.130 0.000 0.732 158 E CA 0.467 56.798 56.400 -0.115 0.000 1.395 158 E CB -0.872 28.742 29.700 -0.143 0.000 2.445 158 E HN 0.173 nan 8.360 nan 0.000 0.544 159 G N 0.745 109.423 108.800 -0.203 0.000 3.107 159 G HA2 -0.040 3.919 3.960 -0.001 0.000 0.155 159 G HA3 -0.040 3.919 3.960 -0.001 0.000 0.155 159 G C 0.094 174.885 174.900 -0.182 0.000 1.875 159 G CA 0.423 45.388 45.100 -0.225 0.000 1.004 159 G HN 0.517 nan 8.290 nan 0.000 0.480 160 H N -0.224 118.829 119.070 -0.029 0.000 2.505 160 H HA 0.438 4.993 4.556 -0.001 0.000 0.260 160 H C -0.102 175.374 175.328 0.247 0.000 1.168 160 H CA -0.424 55.666 56.048 0.069 0.000 0.945 160 H CB -0.200 29.583 29.762 0.034 0.000 1.800 160 H HN 0.154 nan 8.280 nan 0.000 0.586 161 K N 1.601 121.970 120.400 -0.052 0.000 2.270 161 K HA 0.445 4.765 4.320 -0.001 0.000 0.276 161 K C -0.406 176.178 176.600 -0.026 0.000 1.023 161 K CA -0.336 55.857 56.287 -0.157 0.000 0.955 161 K CB 1.419 33.560 32.500 -0.598 0.000 0.975 161 K HN 0.175 nan 8.250 nan 0.000 0.471 162 L N 1.803 123.056 121.223 0.049 0.000 2.386 162 L HA 0.593 4.933 4.340 -0.001 0.000 0.271 162 L C -0.830 176.221 176.870 0.300 0.000 0.993 162 L CA -0.854 54.001 54.840 0.025 0.000 0.819 162 L CB 2.089 44.021 42.059 -0.211 0.000 1.294 162 L HN 0.672 nan 8.230 nan 0.000 0.414 163 A N 2.962 125.973 122.820 0.319 0.000 2.374 163 A HA 0.817 5.136 4.320 -0.001 0.000 0.305 163 A C -1.611 176.009 177.584 0.061 0.000 1.053 163 A CA -0.386 51.764 52.037 0.188 0.000 0.726 163 A CB 1.207 20.276 19.000 0.114 0.000 1.229 163 A HN 0.654 nan 8.150 nan 0.000 0.431 164 Y N -0.237 120.020 120.300 -0.072 0.000 2.544 164 Y HA 0.735 5.285 4.550 -0.001 0.000 0.342 164 Y C -1.288 174.629 175.900 0.028 0.000 1.062 164 Y CA -1.494 56.528 58.100 -0.130 0.000 1.023 164 Y CB 0.966 39.270 38.460 -0.260 0.000 1.308 164 Y HN 0.408 nan 8.280 nan 0.000 0.457 165 V N 2.838 122.862 119.914 0.183 0.000 2.483 165 V HA 0.423 4.542 4.120 -0.001 0.000 0.295 165 V C -1.338 174.971 176.094 0.359 0.000 1.035 165 V CA -0.519 61.877 62.300 0.160 0.000 0.896 165 V CB 1.425 33.262 31.823 0.023 0.000 0.986 165 V HN 0.889 nan 8.190 nan 0.000 0.447 166 W N 5.372 126.773 121.300 0.168 0.000 3.405 166 W HA 0.522 5.182 4.660 -0.000 0.000 0.329 166 W C 0.051 176.641 176.519 0.119 0.000 1.142 166 W CA -1.004 56.419 57.345 0.131 0.000 1.235 166 W CB 1.160 30.689 29.460 0.115 0.000 1.341 166 W HN 0.528 nan 8.180 nan 0.000 0.481 167 K N 5.028 125.030 120.400 -0.664 0.000 3.129 167 K HA -0.301 4.018 4.320 -0.001 0.000 0.273 167 K C 0.260 176.676 176.600 -0.307 0.000 1.123 167 K CA 1.444 57.341 56.287 -0.651 0.000 0.800 167 K CB -1.718 30.183 32.500 -0.999 0.000 1.238 167 K HN 0.912 nan 8.250 nan 0.000 0.492 168 N N -0.237 118.340 118.700 -0.204 0.000 2.828 168 N HA -0.159 4.581 4.740 -0.001 0.000 0.248 168 N C -0.828 174.603 175.510 -0.132 0.000 1.044 168 N CA 1.749 54.698 53.050 -0.169 0.000 0.851 168 N CB -0.390 37.942 38.487 -0.259 0.000 1.136 168 N HN 0.462 nan 8.380 nan 0.000 0.572 169 D N -0.057 120.293 120.400 -0.085 0.000 2.481 169 D HA 0.443 5.083 4.640 -0.001 0.000 0.244 169 D C 0.416 176.577 176.300 -0.231 0.000 1.057 169 D CA -0.458 53.429 54.000 -0.189 0.000 0.848 169 D CB 1.391 42.060 40.800 -0.219 0.000 1.388 169 D HN 0.011 nan 8.370 nan 0.000 0.475 170 I N 1.915 122.203 120.570 -0.471 0.000 2.428 170 I HA 0.203 4.373 4.170 -0.001 0.000 0.289 170 I C -0.651 175.054 176.117 -0.687 0.000 1.019 170 I CA -0.293 60.714 61.300 -0.487 0.000 1.351 170 I CB 0.470 38.101 38.000 -0.614 0.000 1.412 170 I HN 0.176 nan 8.210 nan 0.000 0.513 171 Y N 4.001 123.951 120.300 -0.583 0.000 2.477 171 Y HA 0.596 5.145 4.550 -0.001 0.000 0.347 171 Y C -0.319 175.279 175.900 -0.504 0.000 0.981 171 Y CA -0.870 56.857 58.100 -0.621 0.000 1.033 171 Y CB 2.038 39.880 38.460 -1.030 0.000 1.245 171 Y HN 0.125 nan 8.280 nan 0.000 0.455 172 V N 3.189 123.071 119.914 -0.053 0.000 2.680 172 V HA 0.520 4.639 4.120 -0.001 0.000 0.309 172 V C -0.848 175.362 176.094 0.194 0.000 1.052 172 V CA -1.349 61.005 62.300 0.090 0.000 0.908 172 V CB 2.127 34.016 31.823 0.110 0.000 1.001 172 V HN 0.607 nan 8.190 nan 0.000 0.431 173 K N 4.267 124.790 120.400 0.205 0.000 2.604 173 K HA 0.391 4.711 4.320 -0.001 0.000 0.247 173 K C 0.172 176.857 176.600 0.142 0.000 0.956 173 K CA -0.552 55.841 56.287 0.176 0.000 0.896 173 K CB 2.019 34.585 32.500 0.110 0.000 1.131 173 K HN 0.433 nan 8.250 nan 0.000 0.440 174 I N 1.277 121.936 120.570 0.148 0.000 2.423 174 I HA -0.269 3.901 4.170 -0.001 0.000 0.254 174 I C 0.728 176.890 176.117 0.076 0.000 1.151 174 I CA 1.398 62.747 61.300 0.082 0.000 1.421 174 I CB -0.284 37.756 38.000 0.067 0.000 1.079 174 I HN 0.652 nan 8.210 nan 0.000 0.431 175 E N -1.519 118.748 120.200 0.111 0.000 2.363 175 E HA 0.289 4.639 4.350 -0.001 0.000 0.281 175 E C -2.390 174.204 176.600 -0.010 0.000 0.953 175 E CA -1.585 54.904 56.400 0.149 0.000 0.778 175 E CB 1.396 31.238 29.700 0.237 0.000 1.220 175 E HN -0.298 nan 8.360 nan 0.000 0.431 176 P HA -0.253 nan 4.420 nan 0.000 0.220 176 P C 0.591 177.701 177.300 -0.315 0.000 1.155 176 P CA 1.630 64.494 63.100 -0.393 0.000 0.880 176 P CB 0.030 31.206 31.700 -0.872 0.000 0.790 177 H N -1.810 117.213 119.070 -0.078 0.000 2.482 177 H HA 0.111 4.666 4.556 -0.001 0.000 0.286 177 H C 1.180 176.499 175.328 -0.015 0.000 1.017 177 H CA 0.392 56.425 56.048 -0.026 0.000 1.322 177 H CB -0.487 29.279 29.762 0.006 0.000 1.426 177 H HN 0.173 nan 8.280 nan 0.000 0.546 178 L N 2.841 124.127 121.223 0.105 0.000 2.464 178 L HA 0.115 4.455 4.340 -0.001 0.000 0.264 178 L C -1.755 175.133 176.870 0.031 0.000 1.199 178 L CA -1.742 53.145 54.840 0.078 0.000 0.818 178 L CB 0.072 42.195 42.059 0.107 0.000 1.102 178 L HN 0.000 nan 8.230 nan 0.000 0.473 179 P HA 0.008 nan 4.420 nan 0.000 0.274 179 P C -0.681 176.557 177.300 -0.103 0.000 1.231 179 P CA -0.356 62.703 63.100 -0.068 0.000 0.790 179 P CB 1.143 32.779 31.700 -0.107 0.000 0.951 180 S N 1.589 117.238 115.700 -0.084 0.000 2.510 180 S HA 0.095 4.564 4.470 -0.001 0.000 0.279 180 S C -0.099 174.442 174.600 -0.098 0.000 1.284 180 S CA -0.270 57.927 58.200 -0.005 0.000 1.059 180 S CB -0.663 62.569 63.200 0.052 0.000 0.901 180 S HN 0.315 nan 8.310 nan 0.000 0.491 181 H N 4.231 123.353 119.070 0.087 0.000 2.556 181 H HA 0.209 4.764 4.556 -0.001 0.000 0.310 181 H C 0.366 175.694 175.328 0.000 0.000 1.057 181 H CA -0.391 55.684 56.048 0.046 0.000 1.264 181 H CB 0.700 30.471 29.762 0.015 0.000 1.404 181 H HN 0.567 nan 8.280 nan 0.000 0.462 182 R N 3.869 124.397 120.500 0.046 0.000 2.316 182 R HA 0.062 4.401 4.340 -0.001 0.000 0.314 182 R C 0.618 176.751 176.300 -0.279 0.000 1.069 182 R CA -0.316 55.622 56.100 -0.271 0.000 0.959 182 R CB 0.245 30.418 30.300 -0.213 0.000 0.987 182 R HN 0.529 nan 8.270 nan 0.000 0.446 183 I N 2.411 122.724 120.570 -0.429 0.000 2.731 183 I HA -0.021 4.149 4.170 -0.001 0.000 0.260 183 I C 1.133 177.036 176.117 -0.357 0.000 1.138 183 I CA 0.936 62.033 61.300 -0.339 0.000 1.461 183 I CB -0.633 37.131 38.000 -0.393 0.000 1.128 183 I HN 0.687 nan 8.210 nan 0.000 0.438 184 T N -1.908 112.375 114.554 -0.453 0.000 2.901 184 T HA 0.544 4.893 4.350 -0.001 0.000 0.293 184 T C 0.381 174.899 174.700 -0.304 0.000 1.084 184 T CA 0.066 61.951 62.100 -0.358 0.000 1.008 184 T CB 2.409 71.043 68.868 -0.390 0.000 1.170 184 T HN 0.104 nan 8.240 nan 0.000 0.509 185 S N -1.665 113.913 115.700 -0.203 0.000 2.800 185 S HA 0.082 4.552 4.470 -0.001 0.000 0.266 185 S C 1.589 176.127 174.600 -0.103 0.000 1.029 185 S CA 0.449 58.564 58.200 -0.143 0.000 1.302 185 S CB -0.592 62.545 63.200 -0.104 0.000 1.212 185 S HN 1.027 nan 8.310 nan 0.000 0.683 186 T N 0.232 114.725 114.554 -0.102 0.000 3.072 186 T HA 0.238 4.588 4.350 -0.001 0.000 0.266 186 T C 1.220 175.884 174.700 -0.059 0.000 1.127 186 T CA 0.552 62.615 62.100 -0.062 0.000 1.107 186 T CB -0.932 67.910 68.868 -0.043 0.000 0.910 186 T HN 0.592 nan 8.240 nan 0.000 0.513 187 G N 1.128 109.872 108.800 -0.093 0.000 2.287 187 G HA2 0.325 4.284 3.960 -0.001 0.000 0.235 187 G HA3 0.325 4.284 3.960 -0.001 0.000 0.235 187 G C -0.570 174.258 174.900 -0.120 0.000 1.258 187 G CA -0.411 44.621 45.100 -0.114 0.000 0.884 187 G HN 0.654 nan 8.290 nan 0.000 0.518 188 K N 1.731 122.039 120.400 -0.153 0.000 2.575 188 K HA 0.147 4.467 4.320 -0.001 0.000 0.255 188 K C -0.255 176.220 176.600 -0.208 0.000 0.953 188 K CA -0.687 55.518 56.287 -0.138 0.000 0.840 188 K CB 1.447 33.911 32.500 -0.060 0.000 1.303 188 K HN 0.673 nan 8.250 nan 0.000 0.438 189 E N 3.681 123.765 120.200 -0.193 0.000 2.608 189 E HA -0.147 4.203 4.350 -0.001 0.000 0.259 189 E C -0.363 176.181 176.600 -0.093 0.000 0.951 189 E CA 0.664 56.939 56.400 -0.209 0.000 0.945 189 E CB 0.195 29.820 29.700 -0.126 0.000 0.916 189 E HN 0.674 nan 8.360 nan 0.000 0.477 190 N N 1.974 120.588 118.700 -0.144 0.000 2.708 190 N HA -0.203 4.536 4.740 -0.001 0.000 0.251 190 N C -0.138 175.568 175.510 0.328 0.000 1.123 190 N CA 1.093 54.278 53.050 0.224 0.000 0.739 190 N CB -1.086 37.586 38.487 0.308 0.000 1.113 190 N HN 0.344 nan 8.380 nan 0.000 0.561 191 V N -1.641 118.367 119.914 0.157 0.000 3.629 191 V HA 0.271 4.390 4.120 -0.001 0.000 0.194 191 V C 0.362 176.621 176.094 0.275 0.000 1.343 191 V CA 0.306 62.743 62.300 0.229 0.000 1.292 191 V CB 0.707 32.605 31.823 0.126 0.000 1.287 191 V HN 0.033 nan 8.190 nan 0.000 0.554 192 I N 1.609 122.230 120.570 0.085 0.000 2.382 192 I HA 0.489 4.659 4.170 -0.001 0.000 0.286 192 I C -1.405 174.741 176.117 0.047 0.000 1.002 192 I CA -0.344 61.053 61.300 0.161 0.000 1.135 192 I CB 0.984 39.031 38.000 0.078 0.000 1.288 192 I HN 0.102 nan 8.210 nan 0.000 0.448 193 F N 4.925 124.979 119.950 0.173 0.000 2.411 193 F HA 0.424 4.951 4.527 -0.001 0.000 0.352 193 F C 0.655 176.544 175.800 0.149 0.000 1.123 193 F CA -0.666 57.440 58.000 0.178 0.000 1.044 193 F CB 1.020 40.193 39.000 0.288 0.000 1.135 193 F HN 0.314 nan 8.300 nan 0.000 0.461 194 N N 2.349 121.144 118.700 0.157 0.000 2.558 194 N HA 0.381 5.120 4.740 -0.001 0.000 0.242 194 N C 0.805 176.281 175.510 -0.056 0.000 0.979 194 N CA 0.222 53.291 53.050 0.032 0.000 0.931 194 N CB 1.692 40.097 38.487 -0.138 0.000 1.122 194 N HN 0.892 nan 8.380 nan 0.000 0.508 195 G N 1.557 110.361 108.800 0.006 0.000 2.176 195 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.253 195 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.253 195 G C 0.100 174.884 174.900 -0.194 0.000 0.979 195 G CA 0.540 45.566 45.100 -0.123 0.000 0.641 195 G HN 0.616 nan 8.290 nan 0.000 0.530 196 I N -3.285 117.246 120.570 -0.066 0.000 2.969 196 I HA 0.658 4.828 4.170 -0.001 0.000 0.307 196 I C -0.681 175.485 176.117 0.081 0.000 1.149 196 I CA -1.594 59.571 61.300 -0.226 0.000 1.008 196 I CB 1.741 39.455 38.000 -0.477 0.000 1.232 196 I HN -0.131 nan 8.210 nan 0.000 0.435 197 N N 2.871 121.567 118.700 -0.008 0.000 2.508 197 N HA 0.193 4.932 4.740 -0.001 0.000 0.285 197 N C -0.949 174.359 175.510 -0.337 0.000 1.144 197 N CA -0.341 52.538 53.050 -0.284 0.000 0.978 197 N CB 1.210 39.629 38.487 -0.113 0.000 1.180 197 N HN 0.770 nan 8.380 nan 0.000 0.484 198 D N -0.338 119.524 120.400 -0.896 0.000 2.414 198 D HA -0.069 4.571 4.640 -0.001 0.000 0.251 198 D C 1.120 177.277 176.300 -0.239 0.000 1.252 198 D CA -0.444 52.967 54.000 -0.981 0.000 0.999 198 D CB 0.720 40.883 40.800 -1.061 0.000 1.093 198 D HN 0.519 nan 8.370 nan 0.000 0.515 199 W N 0.602 121.786 121.300 -0.194 0.000 2.315 199 W HA -0.254 4.406 4.660 -0.001 0.000 0.323 199 W C 2.285 178.686 176.519 -0.195 0.000 1.233 199 W CA 2.443 59.688 57.345 -0.167 0.000 1.267 199 W CB -0.565 28.744 29.460 -0.252 0.000 1.160 199 W HN 0.223 nan 8.180 nan 0.000 0.474 200 V N -0.130 119.882 119.914 0.164 0.000 2.490 200 V HA -0.303 3.817 4.120 -0.001 0.000 0.250 200 V C 1.868 177.812 176.094 -0.250 0.000 1.061 200 V CA 2.076 64.353 62.300 -0.038 0.000 1.064 200 V CB -0.739 31.073 31.823 -0.019 0.000 0.670 200 V HN 0.321 nan 8.190 nan 0.000 0.461 201 Y N 0.327 120.457 120.300 -0.284 0.000 2.220 201 Y HA -0.124 4.425 4.550 -0.001 0.000 0.291 201 Y C 2.662 178.450 175.900 -0.185 0.000 1.129 201 Y CA 2.038 59.978 58.100 -0.267 0.000 1.161 201 Y CB -0.101 38.102 38.460 -0.430 0.000 0.997 201 Y HN 0.286 nan 8.280 nan 0.000 0.522 202 E N 0.382 120.544 120.200 -0.063 0.000 2.153 202 E HA -0.259 4.091 4.350 -0.001 0.000 0.194 202 E C 1.696 178.228 176.600 -0.113 0.000 0.988 202 E CA 1.509 57.889 56.400 -0.034 0.000 0.811 202 E CB 0.180 29.859 29.700 -0.036 0.000 0.746 202 E HN 0.474 nan 8.360 nan 0.000 0.466 203 E N 0.072 120.043 120.200 -0.382 0.000 2.099 203 E HA -0.066 4.284 4.350 -0.001 0.000 0.191 203 E C 1.656 178.091 176.600 -0.274 0.000 0.962 203 E CA 0.953 57.098 56.400 -0.424 0.000 0.826 203 E CB 0.204 29.305 29.700 -0.998 0.000 0.788 203 E HN 0.090 nan 8.360 nan 0.000 0.461 204 E N -0.221 119.797 120.200 -0.304 0.000 2.340 204 E HA 0.088 4.438 4.350 -0.001 0.000 0.198 204 E C 1.700 178.118 176.600 -0.302 0.000 0.961 204 E CA 0.193 56.439 56.400 -0.256 0.000 0.905 204 E CB 0.517 30.068 29.700 -0.249 0.000 0.884 204 E HN 0.302 nan 8.360 nan 0.000 0.491 205 I N -0.037 120.303 120.570 -0.384 0.000 3.313 205 I HA 0.075 4.245 4.170 -0.001 0.000 0.233 205 I C 1.009 176.894 176.117 -0.388 0.000 1.050 205 I CA 0.434 61.430 61.300 -0.507 0.000 1.499 205 I CB -1.024 36.506 38.000 -0.784 0.000 1.373 205 I HN -0.131 nan 8.210 nan 0.000 0.458 206 F N 0.655 120.600 119.950 -0.008 0.000 2.371 206 F HA 0.413 4.939 4.527 -0.001 0.000 0.329 206 F C 1.602 177.355 175.800 -0.079 0.000 1.107 206 F CA -0.368 57.641 58.000 0.015 0.000 1.137 206 F CB 0.767 39.817 39.000 0.084 0.000 1.214 206 F HN 0.045 nan 8.300 nan 0.000 0.536 207 G N 0.624 109.468 108.800 0.073 0.000 2.920 207 G HA2 0.419 4.379 3.960 -0.001 0.000 0.208 207 G HA3 0.419 4.379 3.960 -0.001 0.000 0.208 207 G C 0.126 174.696 174.900 -0.550 0.000 1.159 207 G CA 0.622 45.613 45.100 -0.182 0.000 0.784 207 G HN 0.771 nan 8.290 nan 0.000 0.535 208 A N -1.213 121.465 122.820 -0.236 0.000 2.525 208 A HA 0.613 4.932 4.320 -0.001 0.000 0.291 208 A C 0.216 177.774 177.584 -0.043 0.000 1.268 208 A CA -0.589 51.310 52.037 -0.231 0.000 0.712 208 A CB 0.220 19.085 19.000 -0.225 0.000 1.320 208 A HN -0.022 nan 8.150 nan 0.000 0.456 209 Y N 0.734 120.881 120.300 -0.255 0.000 2.395 209 Y HA 0.158 4.708 4.550 -0.001 0.000 0.293 209 Y C 1.578 177.158 175.900 -0.535 0.000 1.123 209 Y CA 0.872 58.804 58.100 -0.279 0.000 1.227 209 Y CB -0.259 38.078 38.460 -0.205 0.000 1.012 209 Y HN 0.523 nan 8.280 nan 0.000 0.552 210 S N 0.267 115.424 115.700 -0.905 0.000 2.562 210 S HA 0.424 4.894 4.470 -0.001 0.000 0.281 210 S C 0.444 174.502 174.600 -0.904 0.000 1.333 210 S CA 0.268 57.698 58.200 -1.283 0.000 1.052 210 S CB 0.488 62.688 63.200 -1.667 0.000 0.884 210 S HN 0.415 nan 8.310 nan 0.000 0.506 211 A N 5.318 127.607 122.820 -0.885 0.000 2.585 211 A HA 0.464 4.784 4.320 -0.001 0.000 0.281 211 A C -0.396 176.506 177.584 -1.137 0.000 0.945 211 A CA -0.451 51.032 52.037 -0.924 0.000 1.031 211 A CB 0.050 18.925 19.000 -0.209 0.000 1.221 211 A HN 0.681 nan 8.150 nan 0.000 0.496 212 L N -0.121 120.356 121.223 -1.244 0.000 2.333 212 L HA 0.659 4.998 4.340 -0.001 0.000 0.269 212 L C -0.963 175.374 176.870 -0.888 0.000 1.010 212 L CA -0.725 53.673 54.840 -0.736 0.000 0.818 212 L CB 1.826 43.701 42.059 -0.307 0.000 1.306 212 L HN 0.403 nan 8.230 nan 0.000 0.430 213 W N 1.590 122.934 121.300 0.073 0.000 2.822 213 W HA 0.178 4.837 4.660 -0.001 0.000 0.317 213 W C -1.341 175.405 176.519 0.378 0.000 1.033 213 W CA -1.065 56.451 57.345 0.284 0.000 1.252 213 W CB 0.977 30.649 29.460 0.354 0.000 1.186 213 W HN 0.498 nan 8.180 nan 0.000 0.383 214 W N 2.624 124.138 121.300 0.357 0.000 2.190 214 W HA 0.249 4.909 4.660 -0.000 0.000 0.330 214 W C 1.312 177.639 176.519 -0.319 0.000 1.299 214 W CA 0.530 57.934 57.345 0.098 0.000 1.215 214 W CB 0.878 30.370 29.460 0.053 0.000 1.147 214 W HN 0.154 nan 8.180 nan 0.000 0.563 215 S N 3.268 118.666 115.700 -0.504 0.000 2.632 215 S HA 0.509 4.978 4.470 -0.001 0.000 0.267 215 S C -2.473 171.857 174.600 -0.450 0.000 1.276 215 S CA -1.567 55.758 58.200 -1.458 0.000 0.998 215 S CB 1.115 63.334 63.200 -1.635 0.000 0.953 215 S HN 0.139 nan 8.310 nan 0.000 0.547 216 P HA 0.279 nan 4.420 nan 0.000 0.272 216 P C -0.000 177.248 177.300 -0.086 0.000 1.223 216 P CA 0.026 63.077 63.100 -0.080 0.000 0.784 216 P CB 0.128 31.834 31.700 0.009 0.000 0.923 217 N N 0.748 119.410 118.700 -0.064 0.000 2.936 217 N HA -0.182 4.558 4.740 -0.001 0.000 0.236 217 N C 0.864 176.309 175.510 -0.107 0.000 0.930 217 N CA 1.504 54.510 53.050 -0.074 0.000 0.966 217 N CB -1.991 36.468 38.487 -0.046 0.000 1.090 217 N HN 0.858 nan 8.380 nan 0.000 0.592 218 G N -0.404 108.337 108.800 -0.099 0.000 2.361 218 G HA2 -0.398 3.561 3.960 -0.001 0.000 0.294 218 G HA3 -0.398 3.561 3.960 -0.001 0.000 0.294 218 G C 1.018 175.934 174.900 0.026 0.000 1.004 218 G CA 1.690 46.772 45.100 -0.030 0.000 0.870 218 G HN 0.497 nan 8.290 nan 0.000 0.510 219 T N -0.597 113.887 114.554 -0.116 0.000 2.735 219 T HA 0.219 4.569 4.350 -0.001 0.000 0.256 219 T C 1.016 175.518 174.700 -0.330 0.000 1.042 219 T CA 1.154 63.053 62.100 -0.336 0.000 1.147 219 T CB -0.046 68.413 68.868 -0.682 0.000 0.865 219 T HN 0.324 nan 8.240 nan 0.000 0.421 220 F N 0.375 120.350 119.950 0.041 0.000 2.408 220 F HA 0.646 5.172 4.527 -0.000 0.000 0.325 220 F C -0.220 175.606 175.800 0.043 0.000 1.082 220 F CA -1.429 56.620 58.000 0.082 0.000 1.032 220 F CB 0.887 40.010 39.000 0.205 0.000 1.259 220 F HN -0.089 nan 8.300 nan 0.000 0.503 221 L N 1.984 123.326 121.223 0.197 0.000 2.446 221 L HA 0.775 5.114 4.340 -0.001 0.000 0.268 221 L C -0.771 176.173 176.870 0.123 0.000 0.975 221 L CA -0.589 54.175 54.840 -0.126 0.000 0.848 221 L CB 0.794 42.473 42.059 -0.633 0.000 1.225 221 L HN 0.679 nan 8.230 nan 0.000 0.410 222 A N 4.419 127.406 122.820 0.278 0.000 2.282 222 A HA 0.852 5.172 4.320 -0.001 0.000 0.319 222 A C -1.336 176.315 177.584 0.110 0.000 1.121 222 A CA -0.109 51.962 52.037 0.057 0.000 0.836 222 A CB 0.682 19.747 19.000 0.108 0.000 1.146 222 A HN 1.067 nan 8.150 nan 0.000 0.494 223 Y N -2.574 117.498 120.300 -0.380 0.000 2.677 223 Y HA 0.709 5.259 4.550 -0.001 0.000 0.334 223 Y C -0.494 175.217 175.900 -0.316 0.000 1.196 223 Y CA -0.835 57.148 58.100 -0.195 0.000 1.059 223 Y CB 0.670 39.012 38.460 -0.196 0.000 1.315 223 Y HN 1.014 nan 8.280 nan 0.000 0.455 224 A N 1.958 124.839 122.820 0.102 0.000 2.337 224 A HA 0.741 5.060 4.320 -0.001 0.000 0.331 224 A C -1.296 176.199 177.584 -0.149 0.000 1.137 224 A CA -0.840 51.123 52.037 -0.123 0.000 0.807 224 A CB 1.910 20.852 19.000 -0.095 0.000 1.250 224 A HN 0.812 nan 8.150 nan 0.000 0.468 225 Q N 0.982 120.557 119.800 -0.376 0.000 2.304 225 Q HA 0.609 4.949 4.340 -0.001 0.000 0.270 225 Q C -2.118 173.618 176.000 -0.441 0.000 1.035 225 Q CA -0.356 55.355 55.803 -0.155 0.000 0.781 225 Q CB 1.198 30.077 28.738 0.235 0.000 1.261 225 Q HN 0.606 nan 8.270 nan 0.000 0.444 226 F N 1.969 122.008 119.950 0.149 0.000 2.480 226 F HA 0.449 4.976 4.527 -0.001 0.000 0.329 226 F C 0.376 176.299 175.800 0.205 0.000 1.091 226 F CA -0.975 57.076 58.000 0.085 0.000 0.972 226 F CB 1.428 40.370 39.000 -0.098 0.000 1.150 226 F HN 0.410 nan 8.300 nan 0.000 0.467 227 N N 1.689 120.579 118.700 0.316 0.000 2.446 227 N HA 0.185 4.924 4.740 -0.001 0.000 0.265 227 N C -0.680 174.987 175.510 0.261 0.000 0.975 227 N CA -0.223 52.987 53.050 0.267 0.000 0.928 227 N CB 1.072 39.663 38.487 0.174 0.000 1.160 227 N HN 0.560 nan 8.380 nan 0.000 0.495 228 D N 1.700 122.284 120.400 0.306 0.000 2.358 228 D HA 0.112 4.752 4.640 -0.001 0.000 0.224 228 D C 1.142 177.566 176.300 0.208 0.000 1.123 228 D CA 0.212 54.371 54.000 0.264 0.000 0.833 228 D CB 0.459 41.475 40.800 0.360 0.000 0.946 228 D HN 0.492 nan 8.370 nan 0.000 0.505 229 T N -0.718 113.940 114.554 0.173 0.000 2.607 229 T HA -0.162 4.188 4.350 -0.001 0.000 0.267 229 T C 1.892 176.652 174.700 0.099 0.000 1.049 229 T CA 1.733 63.909 62.100 0.126 0.000 1.162 229 T CB -0.338 68.590 68.868 0.099 0.000 0.863 229 T HN 0.328 nan 8.240 nan 0.000 0.424 230 G N 0.836 109.688 108.800 0.086 0.000 2.744 230 G HA2 0.171 4.130 3.960 -0.001 0.000 0.211 230 G HA3 0.171 4.130 3.960 -0.001 0.000 0.211 230 G C 0.466 175.409 174.900 0.072 0.000 1.143 230 G CA -0.154 44.985 45.100 0.066 0.000 0.788 230 G HN 0.426 nan 8.290 nan 0.000 0.534 231 V N 2.362 122.335 119.914 0.098 0.000 2.529 231 V HA 0.120 4.239 4.120 -0.001 0.000 0.292 231 V C -1.592 174.564 176.094 0.104 0.000 1.028 231 V CA -1.264 61.098 62.300 0.104 0.000 1.074 231 V CB 1.039 32.941 31.823 0.130 0.000 0.958 231 V HN 0.089 nan 8.190 nan 0.000 0.481 232 P HA 0.224 nan 4.420 nan 0.000 0.271 232 P C -0.565 176.792 177.300 0.095 0.000 1.233 232 P CA -0.141 63.004 63.100 0.075 0.000 0.789 232 P CB 0.511 32.253 31.700 0.069 0.000 0.951 233 L N 1.613 122.875 121.223 0.065 0.000 2.334 233 L HA 0.591 4.931 4.340 -0.001 0.000 0.273 233 L C 0.273 177.135 176.870 -0.012 0.000 1.013 233 L CA -1.030 53.855 54.840 0.075 0.000 0.816 233 L CB 1.155 43.274 42.059 0.100 0.000 1.278 233 L HN 0.304 nan 8.230 nan 0.000 0.431 234 I N -1.155 119.367 120.570 -0.080 0.000 2.493 234 I HA 0.543 4.712 4.170 -0.001 0.000 0.298 234 I C -0.745 175.270 176.117 -0.170 0.000 0.998 234 I CA -0.393 60.751 61.300 -0.259 0.000 1.137 234 I CB 1.922 39.526 38.000 -0.660 0.000 1.310 234 I HN 0.530 nan 8.210 nan 0.000 0.445 235 E N 5.318 125.423 120.200 -0.157 0.000 2.373 235 E HA 0.252 4.601 4.350 -0.001 0.000 0.251 235 E C -1.754 174.789 176.600 -0.096 0.000 0.923 235 E CA -0.638 55.691 56.400 -0.118 0.000 0.798 235 E CB 1.591 31.267 29.700 -0.041 0.000 1.303 235 E HN 0.677 nan 8.360 nan 0.000 0.412 236 Y N -0.357 119.884 120.300 -0.098 0.000 2.453 236 Y HA 0.655 5.204 4.550 -0.001 0.000 0.326 236 Y C 0.101 175.958 175.900 -0.071 0.000 1.186 236 Y CA -1.062 56.981 58.100 -0.095 0.000 1.200 236 Y CB 0.859 39.268 38.460 -0.084 0.000 1.247 236 Y HN 0.018 nan 8.280 nan 0.000 0.482 237 S N 1.933 117.692 115.700 0.098 0.000 2.610 237 S HA 0.492 4.962 4.470 -0.001 0.000 0.273 237 S C -1.520 173.024 174.600 -0.095 0.000 1.274 237 S CA -0.487 57.641 58.200 -0.119 0.000 1.023 237 S CB 0.440 63.431 63.200 -0.347 0.000 0.962 237 S HN 0.571 nan 8.310 nan 0.000 0.523 238 F N 1.857 121.580 119.950 -0.379 0.000 2.536 238 F HA 0.433 4.960 4.527 -0.001 0.000 0.322 238 F C -0.432 175.130 175.800 -0.396 0.000 1.144 238 F CA -0.850 57.000 58.000 -0.249 0.000 0.924 238 F CB 0.870 39.862 39.000 -0.013 0.000 1.181 238 F HN 0.659 nan 8.300 nan 0.000 0.438 239 Y N 2.649 122.736 120.300 -0.355 0.000 2.490 239 Y HA 0.137 4.686 4.550 -0.001 0.000 0.285 239 Y C 1.713 177.520 175.900 -0.155 0.000 1.117 239 Y CA 0.951 58.934 58.100 -0.195 0.000 1.262 239 Y CB -0.614 37.731 38.460 -0.191 0.000 1.043 239 Y HN 0.724 nan 8.280 nan 0.000 0.553 240 S N -0.032 115.523 115.700 -0.241 0.000 3.160 240 S HA -0.238 4.232 4.470 -0.001 0.000 0.634 240 S C -0.309 174.325 174.600 0.057 0.000 2.861 240 S CA 0.429 58.657 58.200 0.046 0.000 3.097 240 S CB -1.116 62.249 63.200 0.274 0.000 0.331 240 S HN 0.490 nan 8.310 nan 0.000 1.767 241 D N 1.961 122.420 120.400 0.097 0.000 2.406 241 D HA 0.087 4.727 4.640 -0.001 0.000 0.234 241 D C 1.464 177.798 176.300 0.057 0.000 1.196 241 D CA 0.738 54.780 54.000 0.070 0.000 0.881 241 D CB 0.085 40.929 40.800 0.073 0.000 1.205 241 D HN 0.738 nan 8.370 nan 0.000 0.453 242 E N -0.818 119.406 120.200 0.039 0.000 2.516 242 E HA -0.111 4.239 4.350 -0.001 0.000 0.199 242 E C 0.964 177.582 176.600 0.031 0.000 1.069 242 E CA 0.442 56.859 56.400 0.028 0.000 0.876 242 E CB -0.047 29.661 29.700 0.012 0.000 0.843 242 E HN 0.290 nan 8.360 nan 0.000 0.530 243 S N 0.407 116.133 115.700 0.042 0.000 2.496 243 S HA 0.009 4.478 4.470 -0.001 0.000 0.224 243 S C 0.803 175.436 174.600 0.055 0.000 0.996 243 S CA -0.406 57.819 58.200 0.043 0.000 0.927 243 S CB -0.167 63.060 63.200 0.044 0.000 0.774 243 S HN 0.262 nan 8.310 nan 0.000 0.524 244 L N 2.871 124.136 121.223 0.070 0.000 2.433 244 L HA 0.295 4.635 4.340 -0.001 0.000 0.275 244 L C 1.404 178.321 176.870 0.078 0.000 1.128 244 L CA 0.149 55.044 54.840 0.091 0.000 0.875 244 L CB 0.569 42.696 42.059 0.113 0.000 1.171 244 L HN 0.258 nan 8.230 nan 0.000 0.463 245 Q N 3.927 123.780 119.800 0.090 0.000 2.079 245 Q HA -0.093 4.247 4.340 -0.001 0.000 0.200 245 Q C -0.564 175.386 176.000 -0.084 0.000 0.974 245 Q CA 1.355 57.165 55.803 0.012 0.000 0.840 245 Q CB 0.146 28.921 28.738 0.062 0.000 0.898 245 Q HN 0.670 nan 8.270 nan 0.000 0.430 246 Y N 1.177 121.499 120.300 0.037 0.000 2.328 246 Y HA 0.389 4.938 4.550 -0.001 0.000 0.336 246 Y C -2.069 173.850 175.900 0.032 0.000 0.960 246 Y CA -3.054 55.065 58.100 0.032 0.000 1.134 246 Y CB 1.314 39.785 38.460 0.019 0.000 1.166 246 Y HN 0.159 nan 8.280 nan 0.000 0.464 247 P HA 0.046 nan 4.420 nan 0.000 0.269 247 P C -0.536 176.786 177.300 0.038 0.000 1.209 247 P CA -0.300 62.824 63.100 0.041 0.000 0.776 247 P CB 1.155 32.797 31.700 -0.096 0.000 0.876 248 K N 1.179 121.603 120.400 0.039 0.000 2.140 248 K HA 0.417 4.736 4.320 -0.001 0.000 0.237 248 K C 0.222 176.817 176.600 -0.008 0.000 1.045 248 K CA -0.075 56.238 56.287 0.044 0.000 0.896 248 K CB 0.081 32.624 32.500 0.073 0.000 1.122 248 K HN 0.389 nan 8.250 nan 0.000 0.503 249 T N 0.561 115.110 114.554 -0.007 0.000 2.881 249 T HA 0.299 4.648 4.350 -0.001 0.000 0.291 249 T C -0.681 173.977 174.700 -0.070 0.000 0.990 249 T CA -0.664 61.412 62.100 -0.039 0.000 0.976 249 T CB 1.358 70.232 68.868 0.011 0.000 0.970 249 T HN 0.139 nan 8.240 nan 0.000 0.438 250 V N 5.346 125.074 119.914 -0.311 0.000 2.394 250 V HA 0.595 4.715 4.120 -0.001 0.000 0.282 250 V C -0.333 175.517 176.094 -0.406 0.000 1.031 250 V CA -0.850 61.160 62.300 -0.485 0.000 0.881 250 V CB 0.842 32.168 31.823 -0.828 0.000 0.982 250 V HN 0.811 nan 8.190 nan 0.000 0.451 251 W N 4.872 126.028 121.300 -0.239 0.000 2.666 251 W HA 0.876 5.535 4.660 -0.001 0.000 0.334 251 W C -1.381 175.095 176.519 -0.072 0.000 1.051 251 W CA -1.550 55.689 57.345 -0.176 0.000 1.224 251 W CB 1.208 30.600 29.460 -0.113 0.000 1.405 251 W HN 0.335 nan 8.180 nan 0.000 0.513 252 I N 3.652 124.262 120.570 0.067 0.000 2.571 252 I HA 0.222 4.391 4.170 -0.001 0.000 0.289 252 I C -2.263 173.934 176.117 0.134 0.000 1.115 252 I CA -2.417 58.907 61.300 0.040 0.000 1.045 252 I CB 3.056 40.961 38.000 -0.159 0.000 1.238 252 I HN -0.019 nan 8.210 nan 0.000 0.424 253 P HA 0.013 nan 4.420 nan 0.000 0.269 253 P C -1.396 176.001 177.300 0.162 0.000 1.263 253 P CA 0.356 63.590 63.100 0.223 0.000 0.813 253 P CB -0.111 31.760 31.700 0.285 0.000 0.868 254 Y N 7.023 127.299 120.300 -0.041 0.000 2.332 254 Y HA 0.391 4.941 4.550 -0.001 0.000 0.326 254 Y C -2.400 173.479 175.900 -0.035 0.000 0.978 254 Y CA -2.767 55.260 58.100 -0.121 0.000 1.205 254 Y CB 2.293 40.580 38.460 -0.289 0.000 1.131 254 Y HN 0.250 nan 8.280 nan 0.000 0.462 255 P HA 0.230 nan 4.420 nan 0.000 0.292 255 P C -1.202 176.102 177.300 0.007 0.000 1.326 255 P CA -0.302 62.807 63.100 0.016 0.000 0.787 255 P CB 1.586 33.287 31.700 0.002 0.000 0.903 256 K N 1.964 122.474 120.400 0.184 0.000 2.117 256 K HA 0.519 4.838 4.320 -0.001 0.000 0.240 256 K C 0.544 177.237 176.600 0.155 0.000 1.031 256 K CA -0.755 55.672 56.287 0.232 0.000 0.909 256 K CB 0.551 33.225 32.500 0.291 0.000 1.097 256 K HN 0.454 nan 8.250 nan 0.000 0.492 257 A N 0.670 123.613 122.820 0.204 0.000 2.591 257 A HA 0.231 4.551 4.320 -0.001 0.000 0.244 257 A C 1.249 178.876 177.584 0.072 0.000 1.031 257 A CA 1.125 53.271 52.037 0.181 0.000 0.767 257 A CB -1.285 17.907 19.000 0.321 0.000 0.942 257 A HN 0.911 nan 8.150 nan 0.000 0.514 258 G N 1.090 109.917 108.800 0.045 0.000 2.234 258 G HA2 0.075 4.034 3.960 -0.001 0.000 0.260 258 G HA3 0.075 4.034 3.960 -0.001 0.000 0.260 258 G C 0.764 175.673 174.900 0.016 0.000 0.987 258 G CA 0.883 45.984 45.100 0.002 0.000 0.625 258 G HN 2.269 nan 8.290 nan 0.000 0.532 259 A N -0.205 122.639 122.820 0.040 0.000 2.327 259 A HA 0.672 4.992 4.320 -0.001 0.000 0.255 259 A C 0.924 178.529 177.584 0.034 0.000 1.099 259 A CA 0.398 52.461 52.037 0.042 0.000 0.801 259 A CB 0.625 19.666 19.000 0.067 0.000 1.062 259 A HN 1.176 nan 8.150 nan 0.000 0.496 260 V N 2.688 122.623 119.914 0.034 0.000 2.540 260 V HA -0.001 4.119 4.120 -0.001 0.000 0.297 260 V C 0.371 176.490 176.094 0.042 0.000 1.024 260 V CA 0.130 62.448 62.300 0.030 0.000 1.105 260 V CB -0.230 31.614 31.823 0.034 0.000 0.938 260 V HN 0.836 nan 8.190 nan 0.000 0.482 261 N N 6.817 125.534 118.700 0.028 0.000 2.476 261 N HA 0.498 5.237 4.740 -0.001 0.000 0.275 261 N C -2.304 173.257 175.510 0.086 0.000 1.190 261 N CA -1.401 51.681 53.050 0.054 0.000 0.977 261 N CB 1.133 39.631 38.487 0.018 0.000 1.200 261 N HN 0.377 nan 8.380 nan 0.000 0.515 262 P HA 0.103 nan 4.420 nan 0.000 0.273 262 P C -0.480 176.937 177.300 0.195 0.000 1.250 262 P CA -0.074 63.147 63.100 0.202 0.000 0.793 262 P CB 0.347 32.203 31.700 0.260 0.000 1.011 263 T N -2.497 112.166 114.554 0.182 0.000 2.932 263 T HA 0.653 5.003 4.350 -0.001 0.000 0.289 263 T C -0.078 174.700 174.700 0.129 0.000 1.039 263 T CA -0.693 61.470 62.100 0.105 0.000 1.024 263 T CB 1.068 69.971 68.868 0.059 0.000 1.090 263 T HN 0.229 nan 8.240 nan 0.000 0.496 264 V N 0.175 120.127 119.914 0.064 0.000 3.126 264 V HA 0.803 4.922 4.120 -0.001 0.000 0.314 264 V C -0.474 175.610 176.094 -0.017 0.000 1.138 264 V CA -1.201 61.081 62.300 -0.030 0.000 1.034 264 V CB 1.883 33.753 31.823 0.078 0.000 1.075 264 V HN 1.019 nan 8.190 nan 0.000 0.442 265 K N 0.824 121.142 120.400 -0.136 0.000 2.557 265 K HA 0.533 4.852 4.320 -0.001 0.000 0.261 265 K C -2.123 174.235 176.600 -0.403 0.000 0.932 265 K CA -0.448 55.689 56.287 -0.251 0.000 0.829 265 K CB 2.756 35.069 32.500 -0.311 0.000 1.358 265 K HN 0.561 nan 8.250 nan 0.000 0.430 266 F N 3.133 122.698 119.950 -0.641 0.000 2.458 266 F HA 0.581 5.108 4.527 -0.001 0.000 0.336 266 F C -1.269 173.954 175.800 -0.962 0.000 1.114 266 F CA -0.527 57.103 58.000 -0.618 0.000 0.987 266 F CB 0.724 39.550 39.000 -0.289 0.000 1.130 266 F HN 0.372 nan 8.300 nan 0.000 0.458 267 F N 5.486 124.766 119.950 -1.118 0.000 2.593 267 F HA 0.696 5.223 4.527 -0.001 0.000 0.320 267 F C -0.673 174.521 175.800 -1.011 0.000 1.060 267 F CA -1.008 56.405 58.000 -0.977 0.000 0.940 267 F CB 1.996 40.285 39.000 -1.185 0.000 1.268 267 F HN 0.091 nan 8.300 nan 0.000 0.475 268 I N 2.558 122.948 120.570 -0.300 0.000 2.512 268 I HA 0.395 4.564 4.170 -0.001 0.000 0.287 268 I C -1.401 174.790 176.117 0.124 0.000 1.069 268 I CA -0.841 60.358 61.300 -0.168 0.000 1.056 268 I CB 2.068 39.812 38.000 -0.426 0.000 1.229 268 I HN 0.287 nan 8.210 nan 0.000 0.429 269 V N 6.434 126.478 119.914 0.215 0.000 2.581 269 V HA 0.438 4.558 4.120 -0.001 0.000 0.303 269 V C -0.351 175.920 176.094 0.294 0.000 1.041 269 V CA -0.500 61.943 62.300 0.239 0.000 0.907 269 V CB 2.138 34.062 31.823 0.168 0.000 0.994 269 V HN 0.765 nan 8.190 nan 0.000 0.442 270 N N 3.924 122.784 118.700 0.267 0.000 2.402 270 N HA 0.142 4.882 4.740 -0.001 0.000 0.252 270 N C 0.868 176.393 175.510 0.026 0.000 1.118 270 N CA 0.364 53.502 53.050 0.146 0.000 0.945 270 N CB 1.595 40.163 38.487 0.134 0.000 1.147 270 N HN 0.785 nan 8.380 nan 0.000 0.495 271 T N 1.919 116.473 114.554 0.000 0.000 2.867 271 T HA -0.088 4.262 4.350 -0.001 0.000 0.268 271 T C 0.615 175.294 174.700 -0.034 0.000 1.057 271 T CA 0.994 63.108 62.100 0.024 0.000 1.136 271 T CB 0.050 69.025 68.868 0.179 0.000 0.874 271 T HN 0.533 nan 8.240 nan 0.000 0.466 272 D N 1.184 121.537 120.400 -0.078 0.000 2.350 272 D HA -0.036 4.603 4.640 -0.001 0.000 0.216 272 D C 2.205 178.465 176.300 -0.066 0.000 0.968 272 D CA 0.872 54.824 54.000 -0.080 0.000 0.894 272 D CB -0.148 40.589 40.800 -0.106 0.000 0.909 272 D HN 0.552 nan 8.370 nan 0.000 0.520 273 S N -0.327 115.336 115.700 -0.060 0.000 2.492 273 S HA 0.053 4.522 4.470 -0.001 0.000 0.218 273 S C 2.129 176.675 174.600 -0.090 0.000 1.016 273 S CA -0.282 57.888 58.200 -0.049 0.000 0.916 273 S CB -0.308 62.884 63.200 -0.013 0.000 0.791 273 S HN 0.155 nan 8.310 nan 0.000 0.513 274 L N 2.647 123.774 121.223 -0.160 0.000 2.149 274 L HA -0.269 4.071 4.340 -0.001 0.000 0.223 274 L C 2.946 179.614 176.870 -0.336 0.000 1.089 274 L CA 1.962 56.604 54.840 -0.330 0.000 0.800 274 L CB -1.527 40.166 42.059 -0.609 0.000 0.897 274 L HN 0.631 nan 8.230 nan 0.000 0.443 275 S N -1.177 114.389 115.700 -0.224 0.000 2.447 275 S HA -0.093 4.376 4.470 -0.001 0.000 0.233 275 S C 1.742 176.351 174.600 0.014 0.000 1.006 275 S CA 0.868 59.041 58.200 -0.044 0.000 0.957 275 S CB -0.314 62.881 63.200 -0.008 0.000 0.773 275 S HN 0.581 nan 8.310 nan 0.000 0.507 276 S N 0.060 115.755 115.700 -0.008 0.000 2.557 276 S HA 0.351 4.820 4.470 -0.001 0.000 0.223 276 S C 0.262 174.873 174.600 0.018 0.000 0.969 276 S CA -0.425 57.782 58.200 0.011 0.000 0.927 276 S CB -0.062 63.141 63.200 0.005 0.000 0.806 276 S HN 0.443 nan 8.310 nan 0.000 0.489 277 T N 0.655 115.222 114.554 0.022 0.000 2.841 277 T HA 0.454 4.803 4.350 -0.001 0.000 0.296 277 T C 0.979 175.712 174.700 0.055 0.000 1.166 277 T CA -0.181 61.937 62.100 0.030 0.000 1.007 277 T CB 1.563 70.442 68.868 0.019 0.000 1.253 277 T HN 0.194 nan 8.240 nan 0.000 0.511 278 T N -1.817 112.766 114.554 0.047 0.000 3.031 278 T HA 0.238 4.588 4.350 -0.001 0.000 0.254 278 T C 0.580 175.310 174.700 0.051 0.000 1.060 278 T CA 0.370 62.504 62.100 0.056 0.000 1.135 278 T CB 0.053 68.942 68.868 0.035 0.000 0.896 278 T HN 0.572 nan 8.240 nan 0.000 0.472 279 T N 1.598 116.169 114.554 0.029 0.000 2.912 279 T HA 0.573 4.922 4.350 -0.001 0.000 0.299 279 T C -1.047 173.656 174.700 0.006 0.000 1.052 279 T CA -0.589 61.517 62.100 0.010 0.000 0.996 279 T CB 2.173 71.038 68.868 -0.005 0.000 1.070 279 T HN 0.099 nan 8.240 nan 0.000 0.465 280 T N 2.424 116.975 114.554 -0.004 0.000 2.895 280 T HA 0.613 4.962 4.350 -0.001 0.000 0.283 280 T C -0.071 174.633 174.700 0.006 0.000 1.014 280 T CA -0.583 61.521 62.100 0.008 0.000 1.037 280 T CB 0.660 69.533 68.868 0.007 0.000 1.006 280 T HN 0.422 nan 8.240 nan 0.000 0.468 281 I N 4.988 125.577 120.570 0.032 0.000 2.330 281 I HA 0.273 4.443 4.170 -0.001 0.000 0.286 281 I C -1.730 174.428 176.117 0.067 0.000 1.025 281 I CA -2.154 59.164 61.300 0.030 0.000 1.197 281 I CB 1.338 39.362 38.000 0.041 0.000 1.358 281 I HN 0.376 nan 8.210 nan 0.000 0.467 282 P HA 0.133 nan 4.420 nan 0.000 0.269 282 P C -0.982 176.416 177.300 0.163 0.000 1.215 282 P CA -0.199 62.956 63.100 0.091 0.000 0.780 282 P CB 0.755 32.450 31.700 -0.009 0.000 0.898 283 M N 1.010 120.752 119.600 0.236 0.000 2.238 283 M HA 0.405 4.885 4.480 -0.001 0.000 0.350 283 M C 0.225 176.680 176.300 0.259 0.000 1.138 283 M CA -0.744 54.721 55.300 0.275 0.000 1.040 283 M CB 1.483 34.317 32.600 0.389 0.000 1.639 283 M HN 0.343 nan 8.290 nan 0.000 0.451 284 Q N 3.005 122.950 119.800 0.242 0.000 2.230 284 Q HA 0.653 4.993 4.340 -0.001 0.000 0.253 284 Q C -1.703 174.292 176.000 -0.009 0.000 0.919 284 Q CA -0.505 55.320 55.803 0.036 0.000 0.908 284 Q CB 1.573 30.323 28.738 0.020 0.000 1.245 284 Q HN 0.843 nan 8.270 nan 0.000 0.437 285 I N 3.205 123.733 120.570 -0.070 0.000 2.377 285 I HA 0.303 4.473 4.170 -0.001 0.000 0.293 285 I C -0.224 175.857 176.117 -0.060 0.000 0.987 285 I CA -0.790 60.509 61.300 -0.001 0.000 1.185 285 I CB 1.989 40.020 38.000 0.051 0.000 1.341 285 I HN 0.741 nan 8.210 nan 0.000 0.455 286 T N 3.017 117.507 114.554 -0.107 0.000 2.794 286 T HA 0.706 5.055 4.350 -0.001 0.000 0.280 286 T C 0.133 174.595 174.700 -0.397 0.000 0.987 286 T CA -0.846 61.126 62.100 -0.213 0.000 0.993 286 T CB 1.623 70.389 68.868 -0.170 0.000 0.939 286 T HN 0.660 nan 8.240 nan 0.000 0.449 287 A N 5.040 127.391 122.820 -0.782 0.000 2.583 287 A HA 0.426 4.746 4.320 -0.001 0.000 0.231 287 A C -1.701 175.373 177.584 -0.848 0.000 1.065 287 A CA -0.990 50.152 52.037 -1.492 0.000 0.760 287 A CB -0.800 16.940 19.000 -2.100 0.000 1.001 287 A HN 0.798 nan 8.150 nan 0.000 0.509 288 P HA 0.134 nan 4.420 nan 0.000 0.268 288 P C 0.797 177.896 177.300 -0.335 0.000 1.205 288 P CA 0.656 63.524 63.100 -0.386 0.000 0.771 288 P CB 0.791 32.349 31.700 -0.238 0.000 0.858 289 A N 3.773 126.457 122.820 -0.226 0.000 1.927 289 A HA -0.225 4.094 4.320 -0.001 0.000 0.220 289 A C 2.016 179.493 177.584 -0.177 0.000 1.185 289 A CA 2.460 54.383 52.037 -0.190 0.000 0.639 289 A CB -1.764 17.158 19.000 -0.131 0.000 0.820 289 A HN 0.667 nan 8.150 nan 0.000 0.451 290 S N -1.380 114.244 115.700 -0.126 0.000 2.711 290 S HA 0.145 4.614 4.470 -0.001 0.000 0.237 290 S C 0.934 175.444 174.600 -0.150 0.000 0.971 290 S CA 0.987 59.116 58.200 -0.119 0.000 0.964 290 S CB 0.040 63.245 63.200 0.009 0.000 0.775 290 S HN 0.313 nan 8.310 nan 0.000 0.540 291 V N -0.013 119.779 119.914 -0.204 0.000 3.368 291 V HA 0.045 4.165 4.120 -0.001 0.000 0.255 291 V C 1.958 177.798 176.094 -0.424 0.000 1.466 291 V CA 0.937 63.090 62.300 -0.245 0.000 1.095 291 V CB 0.004 31.676 31.823 -0.252 0.000 0.899 291 V HN 0.468 nan 8.190 nan 0.000 0.440 292 T N 0.398 114.686 114.554 -0.443 0.000 3.035 292 T HA -0.124 4.226 4.350 -0.001 0.000 0.268 292 T C 1.835 176.439 174.700 -0.160 0.000 1.109 292 T CA 1.740 63.611 62.100 -0.382 0.000 1.119 292 T CB -0.196 68.487 68.868 -0.309 0.000 0.900 292 T HN 0.502 nan 8.240 nan 0.000 0.503 293 T N 0.754 115.227 114.554 -0.135 0.000 2.759 293 T HA 0.119 4.468 4.350 -0.001 0.000 0.269 293 T C 1.202 175.879 174.700 -0.038 0.000 1.042 293 T CA 1.156 63.207 62.100 -0.081 0.000 1.140 293 T CB -0.161 68.652 68.868 -0.091 0.000 0.864 293 T HN 0.576 nan 8.240 nan 0.000 0.455 294 G N -0.017 108.777 108.800 -0.010 0.000 2.870 294 G HA2 0.482 4.441 3.960 -0.001 0.000 0.299 294 G HA3 0.482 4.441 3.960 -0.001 0.000 0.299 294 G C -1.821 173.137 174.900 0.097 0.000 1.324 294 G CA -0.809 44.304 45.100 0.021 0.000 0.808 294 G HN 0.001 nan 8.290 nan 0.000 0.535 295 D N 1.243 121.651 120.400 0.013 0.000 2.515 295 D HA 0.281 4.920 4.640 -0.001 0.000 0.232 295 D C 0.289 176.555 176.300 -0.057 0.000 1.157 295 D CA 1.062 55.011 54.000 -0.084 0.000 0.871 295 D CB 0.277 40.982 40.800 -0.159 0.000 1.200 295 D HN 0.590 nan 8.370 nan 0.000 0.466 296 H N -1.229 117.686 119.070 -0.258 0.000 2.932 296 H HA 0.399 4.954 4.556 -0.001 0.000 0.307 296 H C -1.418 173.777 175.328 -0.222 0.000 1.391 296 H CA -0.804 55.119 56.048 -0.209 0.000 1.130 296 H CB 0.291 30.059 29.762 0.010 0.000 1.836 296 H HN 0.355 nan 8.280 nan 0.000 0.522 297 Y N -0.154 120.331 120.300 0.307 0.000 2.634 297 Y HA 0.490 5.040 4.550 -0.001 0.000 0.340 297 Y C -0.513 175.629 175.900 0.403 0.000 1.058 297 Y CA -1.285 56.997 58.100 0.303 0.000 1.081 297 Y CB 1.585 40.058 38.460 0.022 0.000 1.295 297 Y HN 0.471 nan 8.280 nan 0.000 0.487 298 L N 0.635 122.177 121.223 0.531 0.000 2.272 298 L HA 0.454 4.793 4.340 -0.001 0.000 0.289 298 L C -0.195 176.622 176.870 -0.088 0.000 1.032 298 L CA 0.036 54.892 54.840 0.026 0.000 0.810 298 L CB 0.884 42.954 42.059 0.017 0.000 1.205 298 L HN 0.994 nan 8.230 nan 0.000 0.422 299 C N 2.816 121.959 119.300 -0.261 0.000 2.544 299 C HA 0.250 4.710 4.460 -0.001 0.000 0.280 299 C C 0.586 175.414 174.990 -0.270 0.000 1.295 299 C CA 0.677 59.520 59.018 -0.291 0.000 1.702 299 C CB -0.618 27.007 27.740 -0.191 0.000 2.090 299 C HN 1.000 nan 8.230 nan 0.000 0.493 300 D N -1.966 118.308 120.400 -0.209 0.000 2.706 300 D HA 0.457 5.097 4.640 -0.001 0.000 0.225 300 D C -1.565 174.515 176.300 -0.366 0.000 1.241 300 D CA -0.288 53.668 54.000 -0.073 0.000 0.784 300 D CB 1.395 42.147 40.800 -0.080 0.000 1.521 300 D HN -0.039 nan 8.370 nan 0.000 0.461 301 V N 1.197 120.822 119.914 -0.482 0.000 2.540 301 V HA 0.911 5.031 4.120 -0.001 0.000 0.302 301 V C -0.413 175.301 176.094 -0.634 0.000 1.035 301 V CA -0.475 61.267 62.300 -0.929 0.000 0.873 301 V CB 1.263 31.913 31.823 -1.956 0.000 0.992 301 V HN 0.842 nan 8.190 nan 0.000 0.428 302 A N 3.978 126.466 122.820 -0.552 0.000 2.476 302 A HA 0.628 4.948 4.320 -0.001 0.000 0.280 302 A C -1.421 175.992 177.584 -0.286 0.000 1.081 302 A CA -0.550 51.318 52.037 -0.281 0.000 0.753 302 A CB 0.596 19.496 19.000 -0.168 0.000 1.248 302 A HN 0.789 nan 8.150 nan 0.000 0.424 303 W N 3.060 124.295 121.300 -0.108 0.000 2.368 303 W HA 0.351 5.011 4.660 -0.000 0.000 0.316 303 W C 1.061 177.508 176.519 -0.119 0.000 1.375 303 W CA 0.122 57.418 57.345 -0.082 0.000 1.261 303 W CB 1.155 30.646 29.460 0.052 0.000 1.298 303 W HN 0.507 nan 8.180 nan 0.000 0.539 304 V N 2.611 122.514 119.914 -0.019 0.000 2.300 304 V HA -0.088 4.031 4.120 -0.001 0.000 0.241 304 V C 1.127 177.257 176.094 0.060 0.000 1.034 304 V CA 1.885 64.051 62.300 -0.224 0.000 1.021 304 V CB -0.347 31.069 31.823 -0.679 0.000 0.662 304 V HN 0.620 nan 8.190 nan 0.000 0.458 305 S N -1.208 114.593 115.700 0.167 0.000 2.998 305 S HA 0.353 4.823 4.470 -0.001 0.000 0.323 305 S C 0.486 175.268 174.600 0.303 0.000 1.141 305 S CA -0.041 58.278 58.200 0.199 0.000 0.873 305 S CB 1.714 65.010 63.200 0.159 0.000 1.315 305 S HN 0.238 nan 8.310 nan 0.000 0.637 306 E N -0.342 120.007 120.200 0.247 0.000 2.489 306 E HA 0.123 4.473 4.350 -0.001 0.000 0.193 306 E C -0.301 176.602 176.600 0.505 0.000 1.057 306 E CA 0.293 56.867 56.400 0.290 0.000 0.866 306 E CB 0.044 29.844 29.700 0.167 0.000 0.916 306 E HN 0.538 nan 8.360 nan 0.000 0.500 307 D N 0.054 120.718 120.400 0.439 0.000 2.540 307 D HA 0.125 4.764 4.640 -0.001 0.000 0.229 307 D C -0.450 176.095 176.300 0.409 0.000 1.250 307 D CA -0.013 54.217 54.000 0.385 0.000 0.817 307 D CB 0.692 41.637 40.800 0.242 0.000 1.060 307 D HN -0.027 nan 8.370 nan 0.000 0.508 308 R N 1.094 121.874 120.500 0.466 0.000 2.564 308 R HA 0.598 4.937 4.340 -0.001 0.000 0.284 308 R C -1.829 174.554 176.300 0.138 0.000 1.031 308 R CA -0.513 55.747 56.100 0.267 0.000 0.904 308 R CB 2.003 32.348 30.300 0.076 0.000 1.199 308 R HN -0.029 nan 8.270 nan 0.000 0.443 309 I N 1.920 122.416 120.570 -0.123 0.000 2.730 309 I HA 0.408 4.578 4.170 -0.001 0.000 0.298 309 I C -1.270 174.553 176.117 -0.489 0.000 1.089 309 I CA -0.488 60.489 61.300 -0.538 0.000 1.041 309 I CB 2.424 39.729 38.000 -1.159 0.000 1.235 309 I HN 0.663 nan 8.210 nan 0.000 0.423 310 S N 7.404 122.771 115.700 -0.554 0.000 2.449 310 S HA 0.733 5.202 4.470 -0.001 0.000 0.310 310 S C -1.215 173.051 174.600 -0.556 0.000 1.096 310 S CA -0.567 57.363 58.200 -0.450 0.000 1.095 310 S CB 0.785 63.779 63.200 -0.343 0.000 1.007 310 S HN 0.514 nan 8.310 nan 0.000 0.474 311 L N 4.099 125.017 121.223 -0.508 0.000 2.386 311 L HA 0.575 4.914 4.340 -0.001 0.000 0.271 311 L C -0.323 176.225 176.870 -0.537 0.000 0.993 311 L CA -0.692 53.734 54.840 -0.691 0.000 0.819 311 L CB 2.175 43.742 42.059 -0.820 0.000 1.294 311 L HN 0.593 nan 8.230 nan 0.000 0.414 312 Q N 1.926 121.343 119.800 -0.638 0.000 2.316 312 Q HA 0.420 4.759 4.340 -0.001 0.000 0.264 312 Q C -1.714 173.976 176.000 -0.517 0.000 0.987 312 Q CA -0.572 54.990 55.803 -0.401 0.000 0.852 312 Q CB 2.605 31.184 28.738 -0.265 0.000 1.287 312 Q HN 0.452 nan 8.270 nan 0.000 0.448 313 W N 2.137 123.394 121.300 -0.072 0.000 2.706 313 W HA 0.638 5.298 4.660 -0.001 0.000 0.346 313 W C -0.809 175.747 176.519 0.060 0.000 1.071 313 W CA -0.598 56.755 57.345 0.014 0.000 1.206 313 W CB 1.111 30.572 29.460 0.001 0.000 1.413 313 W HN 0.375 nan 8.180 nan 0.000 0.542 314 L N 1.989 123.452 121.223 0.400 0.000 2.422 314 L HA 0.559 4.899 4.340 -0.001 0.000 0.264 314 L C -0.157 176.952 176.870 0.399 0.000 0.984 314 L CA -1.107 53.931 54.840 0.331 0.000 0.819 314 L CB 1.663 43.869 42.059 0.245 0.000 1.330 314 L HN 0.396 nan 8.230 nan 0.000 0.410 315 R N 1.756 122.453 120.500 0.328 0.000 2.615 315 R HA 0.294 4.634 4.340 -0.001 0.000 0.270 315 R C 0.939 177.373 176.300 0.224 0.000 1.081 315 R CA -0.363 55.880 56.100 0.239 0.000 1.154 315 R CB 0.634 31.040 30.300 0.176 0.000 1.063 315 R HN 0.583 nan 8.270 nan 0.000 0.519 316 R N 1.082 121.622 120.500 0.067 0.000 2.139 316 R HA -0.084 4.256 4.340 -0.001 0.000 0.243 316 R C 0.292 176.696 176.300 0.173 0.000 1.145 316 R CA 1.255 57.385 56.100 0.050 0.000 0.976 316 R CB 0.184 30.430 30.300 -0.090 0.000 0.866 316 R HN 0.362 nan 8.270 nan 0.000 0.449 317 I N 2.637 123.277 120.570 0.116 0.000 2.310 317 I HA 0.053 4.222 4.170 -0.001 0.000 0.287 317 I C 0.102 176.294 176.117 0.125 0.000 1.073 317 I CA -0.014 61.342 61.300 0.092 0.000 1.216 317 I CB 1.049 39.087 38.000 0.062 0.000 1.415 317 I HN 0.259 nan 8.210 nan 0.000 0.480 318 Q N 3.096 122.964 119.800 0.112 0.000 2.401 318 Q HA -0.125 4.214 4.340 -0.001 0.000 0.202 318 Q C 1.389 177.478 176.000 0.148 0.000 0.914 318 Q CA 0.249 56.127 55.803 0.125 0.000 1.006 318 Q CB -0.560 28.204 28.738 0.044 0.000 1.041 318 Q HN 0.588 nan 8.270 nan 0.000 0.501 319 N N -0.284 118.506 118.700 0.150 0.000 2.216 319 N HA -0.130 4.610 4.740 -0.001 0.000 0.183 319 N C -0.305 175.324 175.510 0.199 0.000 1.017 319 N CA 0.389 53.527 53.050 0.146 0.000 0.861 319 N CB 0.314 38.875 38.487 0.122 0.000 0.986 319 N HN 0.283 nan 8.380 nan 0.000 0.428 320 Y N -0.047 120.291 120.300 0.063 0.000 2.446 320 Y HA 0.495 5.045 4.550 -0.001 0.000 0.345 320 Y C -1.059 174.886 175.900 0.077 0.000 0.984 320 Y CA -0.823 57.314 58.100 0.061 0.000 1.058 320 Y CB 1.836 40.324 38.460 0.046 0.000 1.220 320 Y HN -0.211 nan 8.280 nan 0.000 0.455 321 S N 4.151 119.655 115.700 -0.328 0.000 2.536 321 S HA 0.809 5.279 4.470 -0.001 0.000 0.271 321 S C -2.290 172.097 174.600 -0.355 0.000 1.134 321 S CA -0.526 57.567 58.200 -0.179 0.000 0.897 321 S CB 1.301 64.459 63.200 -0.070 0.000 1.094 321 S HN 0.552 nan 8.310 nan 0.000 0.473 322 V N 5.106 124.963 119.914 -0.095 0.000 2.656 322 V HA 0.599 4.718 4.120 -0.001 0.000 0.307 322 V C -0.431 175.693 176.094 0.050 0.000 1.051 322 V CA -0.657 61.617 62.300 -0.044 0.000 0.893 322 V CB 1.985 33.843 31.823 0.059 0.000 0.999 322 V HN 0.942 nan 8.190 nan 0.000 0.426 323 M N 4.964 124.571 119.600 0.012 0.000 2.016 323 M HA 0.684 5.164 4.480 -0.001 0.000 0.315 323 M C -0.246 176.068 176.300 0.023 0.000 0.930 323 M CA -0.492 54.790 55.300 -0.029 0.000 0.899 323 M CB 0.832 33.346 32.600 -0.144 0.000 1.401 323 M HN 0.772 nan 8.290 nan 0.000 0.386 324 A N 5.216 128.067 122.820 0.051 0.000 2.340 324 A HA 0.684 5.003 4.320 -0.001 0.000 0.268 324 A C -0.549 177.017 177.584 -0.029 0.000 1.100 324 A CA -0.481 51.576 52.037 0.034 0.000 0.803 324 A CB 0.449 19.479 19.000 0.051 0.000 1.043 324 A HN 0.905 nan 8.150 nan 0.000 0.488 325 I N 1.360 121.933 120.570 0.005 0.000 2.378 325 I HA 0.295 4.464 4.170 -0.001 0.000 0.291 325 I C -0.739 175.373 176.117 -0.008 0.000 0.992 325 I CA -0.315 60.970 61.300 -0.024 0.000 1.154 325 I CB 1.455 39.499 38.000 0.074 0.000 1.315 325 I HN 0.553 nan 8.210 nan 0.000 0.448 326 c N 4.239 122.824 118.600 -0.025 0.000 2.417 326 c HA 0.506 5.076 4.570 -0.001 0.000 0.324 326 c C -0.366 173.851 174.090 0.212 0.000 1.240 326 c CA -0.868 55.512 56.329 0.085 0.000 1.632 326 c CB 1.303 43.870 42.510 0.096 0.000 2.241 326 c HN 0.615 nan 8.230 nan 0.000 0.499 327 D N 0.358 120.868 120.400 0.182 0.000 2.252 327 D HA 0.221 4.860 4.640 -0.001 0.000 0.245 327 D C -1.059 175.194 176.300 -0.078 0.000 1.009 327 D CA -0.202 53.866 54.000 0.114 0.000 0.870 327 D CB 1.816 42.637 40.800 0.035 0.000 1.251 327 D HN 0.629 nan 8.370 nan 0.000 0.460 328 Y N 1.827 121.802 120.300 -0.543 0.000 2.404 328 Y HA 0.082 4.632 4.550 -0.001 0.000 0.344 328 Y C -0.018 175.579 175.900 -0.505 0.000 0.995 328 Y CA -0.528 56.925 58.100 -1.078 0.000 1.201 328 Y CB 0.512 38.093 38.460 -1.464 0.000 1.151 328 Y HN 0.145 nan 8.280 nan 0.000 0.517 329 D N 6.007 125.820 120.400 -0.979 0.000 2.336 329 D HA 0.068 4.707 4.640 -0.001 0.000 0.249 329 D C 0.340 176.054 176.300 -0.976 0.000 1.213 329 D CA 0.054 53.635 54.000 -0.698 0.000 0.870 329 D CB 1.084 41.628 40.800 -0.427 0.000 1.076 329 D HN 0.763 nan 8.370 nan 0.000 0.483 330 K N 1.790 121.833 120.400 -0.596 0.000 2.097 330 K HA -0.078 4.241 4.320 -0.001 0.000 0.205 330 K C 1.826 178.299 176.600 -0.212 0.000 1.050 330 K CA 1.001 57.082 56.287 -0.344 0.000 0.938 330 K CB 0.100 32.555 32.500 -0.075 0.000 0.718 330 K HN 0.350 nan 8.250 nan 0.000 0.442 331 T N 0.888 115.330 114.554 -0.187 0.000 2.639 331 T HA -0.091 4.258 4.350 -0.001 0.000 0.261 331 T C 1.732 176.367 174.700 -0.108 0.000 1.053 331 T CA 1.764 63.797 62.100 -0.112 0.000 1.158 331 T CB -0.227 68.587 68.868 -0.091 0.000 0.863 331 T HN 0.246 nan 8.240 nan 0.000 0.413 332 T N 2.110 116.578 114.554 -0.143 0.000 3.169 332 T HA 0.322 4.672 4.350 -0.001 0.000 0.250 332 T C 0.637 175.271 174.700 -0.110 0.000 1.111 332 T CA -0.126 61.913 62.100 -0.103 0.000 1.010 332 T CB -0.576 68.238 68.868 -0.089 0.000 0.984 332 T HN 0.357 nan 8.240 nan 0.000 0.537 333 L N 0.978 122.081 121.223 -0.200 0.000 3.895 333 L HA -0.153 4.186 4.340 -0.001 0.000 0.511 333 L C -0.681 176.156 176.870 -0.056 0.000 1.222 333 L CA -0.224 54.533 54.840 -0.139 0.000 0.739 333 L CB -1.957 40.161 42.059 0.099 0.000 1.425 333 L HN 0.139 nan 8.230 nan 0.000 0.817 334 V N -1.395 118.361 119.914 -0.263 0.000 3.087 334 V HA 0.504 4.624 4.120 -0.001 0.000 0.306 334 V C -0.545 175.415 176.094 -0.224 0.000 1.187 334 V CA -0.862 61.394 62.300 -0.073 0.000 0.999 334 V CB 2.243 34.047 31.823 -0.032 0.000 1.049 334 V HN 0.289 nan 8.190 nan 0.000 0.431 335 W N 2.107 123.430 121.300 0.038 0.000 2.417 335 W HA 0.604 5.264 4.660 -0.001 0.000 0.317 335 W C 0.126 176.633 176.519 -0.021 0.000 1.121 335 W CA -0.284 57.075 57.345 0.024 0.000 1.208 335 W CB 0.892 30.366 29.460 0.023 0.000 1.253 335 W HN 0.424 nan 8.180 nan 0.000 0.533 336 N N 2.156 120.931 118.700 0.125 0.000 2.314 336 N HA 0.422 5.161 4.740 -0.001 0.000 0.304 336 N C -1.362 174.188 175.510 0.066 0.000 1.073 336 N CA -0.532 52.553 53.050 0.058 0.000 0.822 336 N CB 1.841 40.325 38.487 -0.004 0.000 1.280 336 N HN 0.283 nan 8.380 nan 0.000 0.489 337 c N 2.078 120.696 118.600 0.030 0.000 3.273 337 c HA 0.267 4.837 4.570 -0.001 0.000 0.227 337 c C -2.094 171.990 174.090 -0.010 0.000 1.409 337 c CA -1.408 54.929 56.329 0.012 0.000 1.516 337 c CB -0.525 41.983 42.510 -0.004 0.000 1.853 337 c HN 0.529 nan 8.230 nan 0.000 0.472 338 P HA 0.015 nan 4.420 nan 0.000 0.261 338 P C 1.164 178.449 177.300 -0.026 0.000 1.183 338 P CA 0.915 64.004 63.100 -0.017 0.000 0.761 338 P CB 0.685 32.379 31.700 -0.010 0.000 0.785 339 T N -0.235 114.299 114.554 -0.034 0.000 2.918 339 T HA -0.170 4.180 4.350 -0.001 0.000 0.271 339 T C 1.384 176.054 174.700 -0.051 0.000 1.104 339 T CA 1.835 63.911 62.100 -0.040 0.000 1.114 339 T CB -1.356 67.490 68.868 -0.036 0.000 0.855 339 T HN 0.411 nan 8.240 nan 0.000 0.518 340 T N 2.045 116.573 114.554 -0.043 0.000 2.881 340 T HA -0.065 4.284 4.350 -0.001 0.000 0.270 340 T C 1.470 176.118 174.700 -0.086 0.000 1.068 340 T CA 1.004 63.074 62.100 -0.051 0.000 1.131 340 T CB -0.252 68.600 68.868 -0.026 0.000 0.871 340 T HN 0.616 nan 8.240 nan 0.000 0.479 341 Q N -0.039 119.719 119.800 -0.071 0.000 2.201 341 Q HA 0.278 4.618 4.340 -0.001 0.000 0.236 341 Q C 1.184 177.119 176.000 -0.109 0.000 0.857 341 Q CA -0.241 55.516 55.803 -0.078 0.000 1.025 341 Q CB 0.564 29.323 28.738 0.035 0.000 1.124 341 Q HN 0.344 nan 8.270 nan 0.000 0.473 342 E N 0.685 120.792 120.200 -0.155 0.000 2.001 342 E HA -0.119 4.231 4.350 -0.001 0.000 0.193 342 E C -0.520 176.065 176.600 -0.025 0.000 0.994 342 E CA 1.041 57.394 56.400 -0.078 0.000 0.815 342 E CB 0.267 29.936 29.700 -0.052 0.000 0.770 342 E HN 0.261 nan 8.360 nan 0.000 0.453 343 H N -0.979 118.105 119.070 0.024 0.000 3.905 343 H HA -0.133 4.423 4.556 -0.001 0.000 0.316 343 H C -0.858 174.436 175.328 -0.056 0.000 0.831 343 H CA 0.833 56.884 56.048 0.005 0.000 0.929 343 H CB -1.619 28.128 29.762 -0.024 0.000 1.374 343 H HN 0.181 nan 8.280 nan 0.000 0.337 344 I N 2.825 123.431 120.570 0.060 0.000 2.412 344 I HA 0.260 4.429 4.170 -0.001 0.000 0.296 344 I C 0.644 176.709 176.117 -0.088 0.000 0.987 344 I CA -0.313 60.927 61.300 -0.101 0.000 1.180 344 I CB 2.085 40.019 38.000 -0.111 0.000 1.340 344 I HN 0.400 nan 8.210 nan 0.000 0.455 345 E N 3.872 123.960 120.200 -0.188 0.000 2.187 345 E HA 0.549 4.899 4.350 -0.001 0.000 0.268 345 E C -1.268 175.256 176.600 -0.127 0.000 0.896 345 E CA -0.345 55.997 56.400 -0.096 0.000 0.766 345 E CB 1.933 31.593 29.700 -0.067 0.000 1.142 345 E HN 0.534 nan 8.360 nan 0.000 0.408 346 T N 1.419 115.952 114.554 -0.034 0.000 2.883 346 T HA 0.492 4.842 4.350 -0.001 0.000 0.296 346 T C -1.512 173.204 174.700 0.027 0.000 1.117 346 T CA -0.637 61.469 62.100 0.011 0.000 1.006 346 T CB 1.718 70.617 68.868 0.051 0.000 1.191 346 T HN 0.275 nan 8.240 nan 0.000 0.508 347 S N 0.292 116.021 115.700 0.047 0.000 2.750 347 S HA 0.584 5.053 4.470 -0.001 0.000 0.276 347 S C 0.426 175.053 174.600 0.046 0.000 1.165 347 S CA -0.149 58.073 58.200 0.036 0.000 1.047 347 S CB 0.735 63.955 63.200 0.033 0.000 1.056 347 S HN 0.828 nan 8.310 nan 0.000 0.481 348 A N 3.401 126.242 122.820 0.036 0.000 2.218 348 A HA 0.203 4.523 4.320 -0.001 0.000 0.209 348 A C 1.562 179.171 177.584 0.040 0.000 1.168 348 A CA 1.096 53.154 52.037 0.037 0.000 0.804 348 A CB -0.396 18.620 19.000 0.026 0.000 0.834 348 A HN 0.753 nan 8.150 nan 0.000 0.482 349 T N -1.959 112.634 114.554 0.065 0.000 3.039 349 T HA 0.406 4.756 4.350 -0.001 0.000 0.250 349 T C 1.332 176.050 174.700 0.030 0.000 1.052 349 T CA 1.035 63.202 62.100 0.110 0.000 1.125 349 T CB 0.502 69.485 68.868 0.192 0.000 0.908 349 T HN 0.584 nan 8.240 nan 0.000 0.473 350 G N 0.368 109.090 108.800 -0.131 0.000 3.482 350 G HA2 0.412 4.372 3.960 -0.001 0.000 0.120 350 G HA3 0.412 4.372 3.960 -0.001 0.000 0.120 350 G C -1.398 173.440 174.900 -0.104 0.000 1.169 350 G CA -0.151 44.735 45.100 -0.357 0.000 1.382 350 G HN 0.489 nan 8.290 nan 0.000 0.629 351 W N -0.554 120.517 121.300 -0.382 0.000 3.039 351 W HA 0.761 5.420 4.660 -0.001 0.000 0.354 351 W C -0.969 175.534 176.519 -0.026 0.000 1.206 351 W CA -1.491 55.755 57.345 -0.165 0.000 1.134 351 W CB 0.696 30.014 29.460 -0.236 0.000 1.493 351 W HN 0.351 nan 8.180 nan 0.000 0.591 352 C N 3.208 122.633 119.300 0.209 0.000 2.347 352 C HA 0.786 5.246 4.460 -0.001 0.000 0.353 352 C C 1.120 176.210 174.990 0.167 0.000 1.273 352 C CA 1.251 60.334 59.018 0.109 0.000 1.861 352 C CB -0.499 27.288 27.740 0.077 0.000 2.420 352 C HN 1.254 nan 8.230 nan 0.000 0.542 353 G N 4.666 113.500 108.800 0.058 0.000 2.698 353 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.233 353 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.233 353 G C 0.497 175.470 174.900 0.122 0.000 1.352 353 G CA 0.023 45.166 45.100 0.071 0.000 0.879 353 G HN 0.724 nan 8.290 nan 0.000 0.567 354 R N -1.290 119.253 120.500 0.071 0.000 2.064 354 R HA 0.305 4.645 4.340 -0.001 0.000 0.221 354 R C 2.217 178.435 176.300 -0.137 0.000 1.136 354 R CA 1.792 57.849 56.100 -0.072 0.000 0.980 354 R CB 0.003 30.171 30.300 -0.220 0.000 0.876 354 R HN 0.464 nan 8.270 nan 0.000 0.437 355 F N -0.281 119.794 119.950 0.208 0.000 2.789 355 F HA 0.266 4.793 4.527 -0.001 0.000 0.320 355 F C 0.259 176.074 175.800 0.024 0.000 1.079 355 F CA -0.616 57.454 58.000 0.118 0.000 1.205 355 F CB 0.897 39.965 39.000 0.113 0.000 1.046 355 F HN -0.104 nan 8.300 nan 0.000 0.586 356 R N -1.057 119.562 120.500 0.199 0.000 2.753 356 R HA 0.376 4.716 4.340 -0.001 0.000 0.272 356 R C -3.348 172.997 176.300 0.075 0.000 1.034 356 R CA -1.950 54.198 56.100 0.080 0.000 0.869 356 R CB -0.098 30.200 30.300 -0.003 0.000 1.264 356 R HN -0.353 nan 8.270 nan 0.000 0.481 357 P HA -0.025 nan 4.420 nan 0.000 0.264 357 P C -0.436 176.883 177.300 0.031 0.000 1.179 357 P CA 0.443 63.555 63.100 0.020 0.000 0.763 357 P CB 0.489 32.175 31.700 -0.023 0.000 0.806 358 A N 2.493 125.343 122.820 0.050 0.000 2.386 358 A HA 0.105 4.425 4.320 -0.001 0.000 0.246 358 A C 0.409 178.026 177.584 0.056 0.000 1.089 358 A CA -0.181 51.906 52.037 0.082 0.000 0.790 358 A CB -0.135 18.930 19.000 0.109 0.000 1.042 358 A HN 0.595 nan 8.150 nan 0.000 0.497 359 E N 1.071 121.324 120.200 0.089 0.000 2.301 359 E HA 0.354 4.704 4.350 -0.001 0.000 0.275 359 E C -2.299 174.314 176.600 0.021 0.000 1.030 359 E CA -1.959 54.454 56.400 0.021 0.000 0.852 359 E CB 0.783 30.491 29.700 0.014 0.000 1.060 359 E HN 0.475 nan 8.360 nan 0.000 0.401 360 P HA 0.121 nan 4.420 nan 0.000 0.277 360 P C -1.175 176.070 177.300 -0.092 0.000 1.240 360 P CA -0.104 62.952 63.100 -0.073 0.000 0.798 360 P CB 0.797 32.264 31.700 -0.389 0.000 0.979 361 H N 2.049 121.207 119.070 0.147 0.000 2.887 361 H HA 0.290 4.846 4.556 -0.001 0.000 0.300 361 H C -0.261 175.233 175.328 0.278 0.000 1.038 361 H CA -0.301 55.895 56.048 0.245 0.000 1.352 361 H CB 0.254 30.155 29.762 0.231 0.000 1.473 361 H HN 0.295 nan 8.280 nan 0.000 0.503 362 F N 1.567 121.700 119.950 0.304 0.000 2.380 362 F HA 0.095 4.622 4.527 -0.001 0.000 0.325 362 F C 1.710 177.699 175.800 0.314 0.000 1.136 362 F CA -0.311 57.880 58.000 0.320 0.000 1.171 362 F CB 0.943 40.061 39.000 0.196 0.000 1.230 362 F HN 0.345 nan 8.300 nan 0.000 0.554 363 T N -1.940 112.908 114.554 0.489 0.000 2.788 363 T HA 0.165 4.514 4.350 -0.001 0.000 0.280 363 T C 1.168 176.055 174.700 0.312 0.000 0.984 363 T CA -0.480 61.838 62.100 0.364 0.000 0.972 363 T CB 0.921 69.977 68.868 0.314 0.000 1.039 363 T HN 0.480 nan 8.240 nan 0.000 0.530 364 S N 1.341 117.179 115.700 0.230 0.000 2.351 364 S HA -0.130 4.340 4.470 -0.001 0.000 0.220 364 S C 1.779 176.488 174.600 0.181 0.000 1.035 364 S CA 1.488 59.801 58.200 0.187 0.000 1.031 364 S CB -0.675 62.610 63.200 0.143 0.000 0.928 364 S HN 0.982 nan 8.310 nan 0.000 0.433 365 D N 1.029 121.530 120.400 0.170 0.000 2.392 365 D HA 0.044 4.683 4.640 -0.001 0.000 0.228 365 D C 1.155 177.569 176.300 0.189 0.000 1.003 365 D CA 0.799 54.891 54.000 0.155 0.000 0.917 365 D CB -1.071 39.807 40.800 0.131 0.000 0.890 365 D HN 0.462 nan 8.370 nan 0.000 0.532 366 G N 0.863 109.816 108.800 0.255 0.000 2.296 366 G HA2 -0.386 3.574 3.960 -0.001 0.000 0.282 366 G HA3 -0.386 3.574 3.960 -0.001 0.000 0.282 366 G C 1.054 176.194 174.900 0.400 0.000 1.014 366 G CA 1.111 46.425 45.100 0.356 0.000 0.812 366 G HN 0.598 nan 8.290 nan 0.000 0.508 367 S N -1.885 114.000 115.700 0.309 0.000 2.446 367 S HA 0.435 4.905 4.470 -0.001 0.000 0.225 367 S C 1.076 175.831 174.600 0.259 0.000 1.016 367 S CA 1.138 59.488 58.200 0.250 0.000 0.943 367 S CB 0.366 63.663 63.200 0.161 0.000 0.786 367 S HN 0.936 nan 8.310 nan 0.000 0.508 368 S N 0.503 116.350 115.700 0.245 0.000 2.661 368 S HA 0.821 5.291 4.470 -0.001 0.000 0.285 368 S C -1.067 173.542 174.600 0.014 0.000 1.138 368 S CA -0.990 57.238 58.200 0.046 0.000 0.855 368 S CB 1.651 64.778 63.200 -0.121 0.000 1.136 368 S HN 0.602 nan 8.310 nan 0.000 0.484 369 F N -1.236 118.448 119.950 -0.444 0.000 2.654 369 F HA 0.782 5.309 4.527 -0.001 0.000 0.308 369 F C -2.200 173.353 175.800 -0.412 0.000 1.108 369 F CA -1.353 56.317 58.000 -0.550 0.000 0.957 369 F CB 0.656 38.795 39.000 -1.434 0.000 1.309 369 F HN 0.473 nan 8.300 nan 0.000 0.446 370 Y N 1.545 121.892 120.300 0.078 0.000 2.377 370 Y HA 0.686 5.235 4.550 -0.001 0.000 0.339 370 Y C -0.155 175.862 175.900 0.195 0.000 1.011 370 Y CA -0.995 57.137 58.100 0.053 0.000 1.093 370 Y CB 1.992 40.454 38.460 0.004 0.000 1.201 370 Y HN 0.750 nan 8.280 nan 0.000 0.455 371 K N 2.934 123.513 120.400 0.298 0.000 2.502 371 K HA 0.576 4.896 4.320 -0.001 0.000 0.257 371 K C -1.614 175.089 176.600 0.172 0.000 0.938 371 K CA -0.640 55.807 56.287 0.268 0.000 0.819 371 K CB 1.660 34.308 32.500 0.247 0.000 1.333 371 K HN 0.734 nan 8.250 nan 0.000 0.434 372 I N 4.702 125.358 120.570 0.144 0.000 2.337 372 I HA 0.182 4.351 4.170 -0.001 0.000 0.291 372 I C -0.249 175.926 176.117 0.098 0.000 1.046 372 I CA -0.629 60.732 61.300 0.102 0.000 1.324 372 I CB 0.914 38.972 38.000 0.097 0.000 1.409 372 I HN 0.315 nan 8.210 nan 0.000 0.494 373 V N 1.834 121.816 119.914 0.114 0.000 2.888 373 V HA 0.478 4.598 4.120 -0.001 0.000 0.309 373 V C 0.025 176.229 176.094 0.184 0.000 1.114 373 V CA -0.778 61.595 62.300 0.122 0.000 0.940 373 V CB 1.632 33.537 31.823 0.136 0.000 1.021 373 V HN 0.614 nan 8.190 nan 0.000 0.426 374 S N 3.449 119.178 115.700 0.048 0.000 2.544 374 S HA 0.183 4.653 4.470 -0.001 0.000 0.290 374 S C 0.057 174.682 174.600 0.041 0.000 1.276 374 S CA 0.333 58.503 58.200 -0.050 0.000 1.075 374 S CB -0.113 62.981 63.200 -0.178 0.000 0.849 374 S HN 1.135 nan 8.310 nan 0.000 0.494 375 D N 2.042 122.344 120.400 -0.163 0.000 2.447 375 D HA 0.164 4.804 4.640 -0.001 0.000 0.265 375 D C 1.081 177.225 176.300 -0.261 0.000 1.250 375 D CA -0.785 52.929 54.000 -0.476 0.000 1.046 375 D CB 0.308 40.388 40.800 -1.200 0.000 1.095 375 D HN 0.381 nan 8.370 nan 0.000 0.555 376 K N -1.002 119.235 120.400 -0.271 0.000 2.173 376 K HA -0.199 4.121 4.320 -0.001 0.000 0.207 376 K C 0.370 176.896 176.600 -0.122 0.000 1.046 376 K CA 1.682 57.880 56.287 -0.148 0.000 0.929 376 K CB -0.078 32.341 32.500 -0.135 0.000 0.720 376 K HN 0.356 nan 8.250 nan 0.000 0.453 377 D N -1.262 119.066 120.400 -0.118 0.000 2.339 377 D HA 0.079 4.719 4.640 -0.001 0.000 0.217 377 D C 0.690 176.963 176.300 -0.045 0.000 1.050 377 D CA 0.867 54.856 54.000 -0.018 0.000 0.856 377 D CB 0.807 41.652 40.800 0.074 0.000 0.922 377 D HN 0.468 nan 8.370 nan 0.000 0.518 378 G N 0.934 109.627 108.800 -0.178 0.000 2.132 378 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.228 378 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.228 378 G C -0.400 174.162 174.900 -0.563 0.000 1.000 378 G CA -0.380 44.498 45.100 -0.370 0.000 0.693 378 G HN 0.277 nan 8.290 nan 0.000 0.515 379 Y N -0.114 119.942 120.300 -0.406 0.000 2.328 379 Y HA 0.590 5.139 4.550 -0.001 0.000 0.337 379 Y C 0.713 176.244 175.900 -0.615 0.000 0.966 379 Y CA -1.195 56.572 58.100 -0.554 0.000 1.136 379 Y CB 1.488 39.512 38.460 -0.726 0.000 1.170 379 Y HN -0.005 nan 8.280 nan 0.000 0.470 380 K N 3.574 123.738 120.400 -0.395 0.000 2.361 380 K HA 0.101 4.420 4.320 -0.001 0.000 0.283 380 K C -1.062 175.346 176.600 -0.320 0.000 1.078 380 K CA 0.707 56.846 56.287 -0.246 0.000 1.041 380 K CB -0.454 31.959 32.500 -0.144 0.000 0.932 380 K HN 0.664 nan 8.250 nan 0.000 0.462 381 H N 1.064 120.128 119.070 -0.010 0.000 2.946 381 H HA 0.426 4.982 4.556 -0.001 0.000 0.365 381 H C -0.378 174.983 175.328 0.056 0.000 1.197 381 H CA -1.219 54.801 56.048 -0.047 0.000 1.131 381 H CB 1.554 31.265 29.762 -0.085 0.000 1.849 381 H HN 0.311 nan 8.280 nan 0.000 0.555 382 I N 2.810 123.420 120.570 0.067 0.000 2.416 382 I HA 0.143 4.313 4.170 -0.001 0.000 0.288 382 I C 0.004 176.027 176.117 -0.156 0.000 1.051 382 I CA -0.030 61.236 61.300 -0.056 0.000 1.375 382 I CB -0.034 37.863 38.000 -0.172 0.000 1.407 382 I HN 0.479 nan 8.210 nan 0.000 0.516 383 c N 3.384 121.786 118.600 -0.329 0.000 2.994 383 c HA 0.536 5.105 4.570 -0.001 0.000 0.305 383 c C -0.433 173.291 174.090 -0.610 0.000 1.251 383 c CA -1.025 54.931 56.329 -0.622 0.000 1.478 383 c CB 1.354 43.029 42.510 -1.392 0.000 1.922 383 c HN 0.731 nan 8.230 nan 0.000 0.472 384 Q N 0.466 119.847 119.800 -0.698 0.000 2.306 384 Q HA 0.664 5.003 4.340 -0.001 0.000 0.241 384 Q C -1.375 174.002 176.000 -1.037 0.000 0.948 384 Q CA 0.228 55.525 55.803 -0.843 0.000 0.886 384 Q CB 1.165 29.500 28.738 -0.671 0.000 1.227 384 Q HN 0.709 nan 8.270 nan 0.000 0.457 385 F N -0.075 119.277 119.950 -0.996 0.000 2.613 385 F HA 0.320 4.846 4.527 -0.001 0.000 0.314 385 F C -0.206 175.127 175.800 -0.778 0.000 1.075 385 F CA -0.990 56.390 58.000 -1.032 0.000 0.945 385 F CB 1.924 39.721 39.000 -2.005 0.000 1.310 385 F HN 0.239 nan 8.300 nan 0.000 0.467 386 Q N 1.362 121.077 119.800 -0.142 0.000 2.309 386 Q HA 0.229 4.568 4.340 -0.001 0.000 0.264 386 Q C 0.796 176.981 176.000 0.308 0.000 1.008 386 Q CA -0.673 55.154 55.803 0.040 0.000 0.853 386 Q CB 2.319 31.087 28.738 0.050 0.000 1.314 386 Q HN 0.799 nan 8.270 nan 0.000 0.448 387 K N 1.356 121.984 120.400 0.381 0.000 2.107 387 K HA -0.179 4.141 4.320 -0.001 0.000 0.211 387 K C -0.301 176.548 176.600 0.414 0.000 1.049 387 K CA 1.578 58.178 56.287 0.521 0.000 0.927 387 K CB 0.162 32.882 32.500 0.366 0.000 0.714 387 K HN 0.427 nan 8.250 nan 0.000 0.452 388 D N 1.520 122.053 120.400 0.221 0.000 2.264 388 D HA 0.067 4.707 4.640 -0.001 0.000 0.250 388 D C -0.333 175.974 176.300 0.012 0.000 1.113 388 D CA -0.240 53.797 54.000 0.063 0.000 0.871 388 D CB 1.353 42.180 40.800 0.045 0.000 1.167 388 D HN 0.239 nan 8.370 nan 0.000 0.447 389 R N 1.662 122.026 120.500 -0.226 0.000 2.694 389 R HA 0.153 4.493 4.340 -0.001 0.000 0.268 389 R C -0.451 175.840 176.300 -0.014 0.000 1.061 389 R CA 0.043 56.038 56.100 -0.176 0.000 1.133 389 R CB 0.555 30.683 30.300 -0.287 0.000 1.020 389 R HN 0.260 nan 8.270 nan 0.000 0.475 390 K N 4.020 124.445 120.400 0.040 0.000 2.426 390 K HA 0.308 4.628 4.320 -0.001 0.000 0.254 390 K C -2.423 174.188 176.600 0.019 0.000 0.936 390 K CA -2.121 54.178 56.287 0.019 0.000 0.801 390 K CB 2.249 34.756 32.500 0.011 0.000 1.139 390 K HN 0.542 nan 8.250 nan 0.000 0.424 391 P HA -0.154 nan 4.420 nan 0.000 0.242 391 P C -1.006 176.301 177.300 0.012 0.000 1.116 391 P CA 0.806 63.912 63.100 0.011 0.000 0.954 391 P CB -0.187 31.515 31.700 0.005 0.000 0.908 392 E N 2.547 122.760 120.200 0.022 0.000 2.252 392 E HA -0.236 4.113 4.350 -0.001 0.000 0.218 392 E C -0.200 176.403 176.600 0.004 0.000 1.253 392 E CA 0.548 56.960 56.400 0.020 0.000 0.705 392 E CB -1.791 27.920 29.700 0.017 0.000 1.172 392 E HN 0.657 nan 8.360 nan 0.000 0.369 393 Q N -2.229 117.567 119.800 -0.007 0.000 1.682 393 Q HA 0.048 4.387 4.340 -0.001 0.000 0.162 393 Q C 0.850 176.800 176.000 -0.083 0.000 0.798 393 Q CA 0.340 56.117 55.803 -0.043 0.000 0.797 393 Q CB 0.280 28.996 28.738 -0.037 0.000 1.232 393 Q HN 0.174 nan 8.270 nan 0.000 0.369 394 V N -1.152 118.740 119.914 -0.037 0.000 2.688 394 V HA -0.184 3.936 4.120 -0.001 0.000 0.256 394 V C 1.156 177.007 176.094 -0.404 0.000 1.084 394 V CA 0.997 63.296 62.300 -0.001 0.000 1.103 394 V CB -0.506 31.500 31.823 0.305 0.000 0.688 394 V HN 0.519 nan 8.190 nan 0.000 0.480 395 c N -0.895 117.394 118.600 -0.519 0.000 2.505 395 c HA 0.750 5.320 4.570 -0.001 0.000 0.358 395 c C 0.432 174.195 174.090 -0.546 0.000 1.226 395 c CA -0.083 55.715 56.329 -0.885 0.000 1.900 395 c CB 1.848 43.752 42.510 -1.009 0.000 2.306 395 c HN 0.485 nan 8.230 nan 0.000 0.512 396 T N 2.252 116.432 114.554 -0.624 0.000 3.355 396 T HA 0.346 4.696 4.350 -0.001 0.000 0.324 396 T C -0.963 173.513 174.700 -0.373 0.000 0.932 396 T CA -0.101 61.802 62.100 -0.328 0.000 1.032 396 T CB 0.065 68.788 68.868 -0.241 0.000 1.027 396 T HN 0.364 nan 8.240 nan 0.000 0.456 397 F N 2.513 122.337 119.950 -0.209 0.000 2.471 397 F HA 0.371 4.897 4.527 -0.001 0.000 0.353 397 F C 1.589 177.270 175.800 -0.198 0.000 1.113 397 F CA -0.401 57.477 58.000 -0.203 0.000 1.262 397 F CB 0.580 39.474 39.000 -0.178 0.000 1.146 397 F HN 0.524 nan 8.300 nan 0.000 0.578 398 I N 0.843 121.362 120.570 -0.085 0.000 4.082 398 I HA 0.099 4.268 4.170 -0.001 0.000 0.337 398 I C -0.200 175.792 176.117 -0.209 0.000 1.352 398 I CA 0.489 61.652 61.300 -0.228 0.000 1.097 398 I CB 0.127 37.905 38.000 -0.370 0.000 1.048 398 I HN 0.508 nan 8.210 nan 0.000 0.393 399 T N 1.331 115.752 114.554 -0.221 0.000 2.933 399 T HA 0.513 4.862 4.350 -0.001 0.000 0.305 399 T C -0.760 173.419 174.700 -0.868 0.000 1.092 399 T CA -0.693 61.108 62.100 -0.498 0.000 1.008 399 T CB 2.639 71.102 68.868 -0.675 0.000 1.102 399 T HN -0.024 nan 8.240 nan 0.000 0.469 400 K N 0.577 120.458 120.400 -0.864 0.000 2.509 400 K HA 0.867 5.186 4.320 -0.001 0.000 0.266 400 K C -0.434 175.868 176.600 -0.496 0.000 0.987 400 K CA -1.169 54.713 56.287 -0.675 0.000 0.868 400 K CB 2.548 34.879 32.500 -0.282 0.000 1.421 400 K HN 1.022 nan 8.250 nan 0.000 0.444 401 G N -0.382 108.241 108.800 -0.294 0.000 2.362 401 G HA2 0.256 4.216 3.960 -0.001 0.000 0.656 401 G HA3 0.256 4.216 3.960 -0.001 0.000 0.656 401 G C -1.325 173.159 174.900 -0.693 0.000 1.376 401 G CA -0.513 44.436 45.100 -0.252 0.000 0.971 401 G HN 0.634 nan 8.290 nan 0.000 0.636 402 A N 1.345 123.917 122.820 -0.413 0.000 3.118 402 A HA 0.639 4.959 4.320 -0.001 0.000 0.256 402 A C 0.313 177.920 177.584 0.038 0.000 1.667 402 A CA 0.737 52.375 52.037 -0.665 0.000 1.338 402 A CB -1.084 17.758 19.000 -0.264 0.000 1.127 402 A HN 1.856 nan 8.150 nan 0.000 0.634 403 W N -0.968 120.282 121.300 -0.083 0.000 2.937 403 W HA 0.642 5.301 4.660 -0.001 0.000 0.360 403 W C -1.203 175.385 176.519 0.115 0.000 1.215 403 W CA -0.828 56.563 57.345 0.076 0.000 1.183 403 W CB 0.304 29.776 29.460 0.019 0.000 1.458 403 W HN 0.244 nan 8.180 nan 0.000 0.574 404 E N 0.664 121.013 120.200 0.249 0.000 2.343 404 E HA 0.440 4.790 4.350 -0.001 0.000 0.270 404 E C -1.223 175.506 176.600 0.215 0.000 0.895 404 E CA -1.174 55.225 56.400 -0.001 0.000 0.767 404 E CB 3.386 33.103 29.700 0.029 0.000 1.248 404 E HN 0.174 nan 8.360 nan 0.000 0.440 405 V N 4.194 124.170 119.914 0.104 0.000 2.427 405 V HA -0.000 4.120 4.120 -0.001 0.000 0.268 405 V C 1.372 177.571 176.094 0.175 0.000 1.046 405 V CA -0.073 62.343 62.300 0.192 0.000 0.970 405 V CB 0.293 32.121 31.823 0.008 0.000 1.001 405 V HN 0.702 nan 8.190 nan 0.000 0.476 406 I N 3.440 124.126 120.570 0.193 0.000 2.163 406 I HA -0.039 4.131 4.170 -0.001 0.000 0.240 406 I C 1.078 177.292 176.117 0.162 0.000 1.081 406 I CA 1.400 62.781 61.300 0.135 0.000 1.353 406 I CB -0.639 37.367 38.000 0.010 0.000 1.054 406 I HN 0.847 nan 8.210 nan 0.000 0.407 407 S N -0.693 115.109 115.700 0.170 0.000 2.565 407 S HA 0.527 4.997 4.470 -0.001 0.000 0.274 407 S C -0.834 173.857 174.600 0.152 0.000 1.144 407 S CA -0.909 57.389 58.200 0.163 0.000 0.849 407 S CB 1.423 64.721 63.200 0.164 0.000 1.103 407 S HN 0.047 nan 8.310 nan 0.000 0.455 408 I N 2.491 123.107 120.570 0.077 0.000 2.395 408 I HA 0.305 4.475 4.170 -0.001 0.000 0.289 408 I C 0.887 176.984 176.117 -0.034 0.000 1.023 408 I CA -0.414 60.847 61.300 -0.065 0.000 1.350 408 I CB 1.014 38.746 38.000 -0.447 0.000 1.409 408 I HN 0.765 nan 8.210 nan 0.000 0.507 409 E N 4.740 124.964 120.200 0.039 0.000 2.413 409 E HA 0.345 4.694 4.350 -0.001 0.000 0.203 409 E C 0.048 176.701 176.600 0.089 0.000 0.957 409 E CA 0.154 56.604 56.400 0.084 0.000 0.950 409 E CB 1.057 30.803 29.700 0.077 0.000 0.957 409 E HN 0.688 nan 8.360 nan 0.000 0.497 410 A N 0.767 123.643 122.820 0.092 0.000 2.590 410 A HA 0.511 4.831 4.320 -0.001 0.000 0.296 410 A C -2.019 175.664 177.584 0.165 0.000 1.050 410 A CA -0.686 51.432 52.037 0.136 0.000 0.697 410 A CB 0.993 20.037 19.000 0.074 0.000 1.277 410 A HN 0.036 nan 8.150 nan 0.000 0.411 411 L N 1.946 123.268 121.223 0.165 0.000 2.417 411 L HA 0.585 4.924 4.340 -0.001 0.000 0.259 411 L C 0.196 177.155 176.870 0.148 0.000 1.023 411 L CA 0.378 55.290 54.840 0.120 0.000 0.901 411 L CB 1.079 43.207 42.059 0.115 0.000 1.227 411 L HN 0.769 nan 8.230 nan 0.000 0.454 412 T N 0.751 115.407 114.554 0.171 0.000 2.726 412 T HA 0.127 4.477 4.350 -0.001 0.000 0.294 412 T C 1.397 176.148 174.700 0.085 0.000 1.013 412 T CA 0.427 62.614 62.100 0.146 0.000 0.996 412 T CB 1.035 70.028 68.868 0.210 0.000 1.016 412 T HN 0.728 nan 8.240 nan 0.000 0.529 413 S N 0.485 116.217 115.700 0.053 0.000 2.547 413 S HA -0.075 4.395 4.470 -0.001 0.000 0.235 413 S C 0.942 175.533 174.600 -0.014 0.000 0.980 413 S CA 1.094 59.316 58.200 0.037 0.000 0.941 413 S CB -0.170 63.045 63.200 0.025 0.000 0.763 413 S HN 0.877 nan 8.310 nan 0.000 0.532 414 D N -1.849 118.501 120.400 -0.083 0.000 2.401 414 D HA 0.101 4.741 4.640 -0.001 0.000 0.269 414 D C -0.236 175.959 176.300 -0.175 0.000 1.117 414 D CA -0.233 53.646 54.000 -0.203 0.000 0.829 414 D CB 0.147 40.690 40.800 -0.429 0.000 1.350 414 D HN 0.463 nan 8.370 nan 0.000 0.529 415 Y N 0.443 120.716 120.300 -0.046 0.000 2.536 415 Y HA 0.499 5.049 4.550 -0.001 0.000 0.347 415 Y C -1.014 174.783 175.900 -0.173 0.000 1.000 415 Y CA -1.492 56.514 58.100 -0.157 0.000 1.051 415 Y CB 2.796 41.087 38.460 -0.280 0.000 1.259 415 Y HN -0.167 nan 8.280 nan 0.000 0.468 416 L N 3.534 124.712 121.223 -0.074 0.000 2.345 416 L HA 0.456 4.795 4.340 -0.001 0.000 0.274 416 L C -1.849 174.960 176.870 -0.100 0.000 0.999 416 L CA -0.951 53.821 54.840 -0.114 0.000 0.849 416 L CB -0.011 41.898 42.059 -0.250 0.000 1.220 416 L HN 0.394 nan 8.230 nan 0.000 0.422 417 Y N 5.748 126.038 120.300 -0.016 0.000 2.336 417 Y HA 0.490 5.040 4.550 -0.001 0.000 0.335 417 Y C -0.074 175.847 175.900 0.035 0.000 1.046 417 Y CA 0.154 58.219 58.100 -0.058 0.000 1.198 417 Y CB 0.712 39.102 38.460 -0.116 0.000 1.182 417 Y HN 0.643 nan 8.280 nan 0.000 0.502 418 Y N 0.451 120.780 120.300 0.049 0.000 2.705 418 Y HA 0.870 5.420 4.550 -0.001 0.000 0.332 418 Y C -1.694 174.253 175.900 0.078 0.000 1.157 418 Y CA -2.093 56.032 58.100 0.041 0.000 1.091 418 Y CB 1.341 39.812 38.460 0.018 0.000 1.301 418 Y HN 0.336 nan 8.280 nan 0.000 0.488 419 I N 2.393 123.136 120.570 0.289 0.000 2.499 419 I HA 0.560 4.730 4.170 -0.001 0.000 0.288 419 I C -0.875 175.420 176.117 0.298 0.000 1.048 419 I CA -0.538 60.857 61.300 0.157 0.000 1.062 419 I CB 2.233 40.276 38.000 0.073 0.000 1.238 419 I HN 0.885 nan 8.210 nan 0.000 0.426 420 S N 3.142 118.991 115.700 0.248 0.000 2.697 420 S HA 0.475 4.945 4.470 -0.001 0.000 0.289 420 S C -0.450 174.233 174.600 0.139 0.000 1.149 420 S CA -0.800 57.562 58.200 0.270 0.000 0.850 420 S CB 1.833 65.323 63.200 0.484 0.000 1.151 420 S HN 0.652 nan 8.310 nan 0.000 0.491 421 N N -0.544 118.248 118.700 0.153 0.000 2.328 421 N HA 0.122 4.861 4.740 -0.001 0.000 0.247 421 N C 0.558 176.093 175.510 0.041 0.000 1.165 421 N CA -0.212 52.871 53.050 0.055 0.000 0.873 421 N CB 0.182 38.668 38.487 -0.000 0.000 1.125 421 N HN 0.846 nan 8.380 nan 0.000 0.513 422 E N 0.014 120.153 120.200 -0.101 0.000 2.047 422 E HA -0.213 4.137 4.350 -0.001 0.000 0.191 422 E C -0.263 176.178 176.600 -0.265 0.000 0.987 422 E CA 0.320 56.383 56.400 -0.561 0.000 0.799 422 E CB -0.146 28.528 29.700 -1.710 0.000 0.752 422 E HN 0.340 nan 8.360 nan 0.000 0.449 423 Y N 2.027 122.215 120.300 -0.187 0.000 2.895 423 Y HA -0.149 4.401 4.550 -0.001 0.000 0.334 423 Y C 0.450 176.309 175.900 -0.068 0.000 1.261 423 Y CA 0.832 58.886 58.100 -0.077 0.000 1.560 423 Y CB 0.152 38.617 38.460 0.008 0.000 1.253 423 Y HN 0.137 nan 8.280 nan 0.000 0.582 424 K N 3.291 123.408 120.400 -0.471 0.000 3.048 424 K HA -0.347 3.972 4.320 -0.001 0.000 0.274 424 K C 0.080 176.590 176.600 -0.150 0.000 1.098 424 K CA 1.244 57.280 56.287 -0.419 0.000 0.807 424 K CB -0.988 31.144 32.500 -0.613 0.000 1.217 424 K HN 0.947 nan 8.250 nan 0.000 0.477 425 E N -1.697 118.435 120.200 -0.112 0.000 2.539 425 E HA -0.254 4.096 4.350 -0.001 0.000 0.253 425 E C -0.484 176.060 176.600 -0.094 0.000 1.145 425 E CA 1.040 57.411 56.400 -0.047 0.000 0.738 425 E CB -1.137 28.574 29.700 0.018 0.000 1.308 425 E HN 0.454 nan 8.360 nan 0.000 0.409 426 M N 1.209 120.674 119.600 -0.225 0.000 2.111 426 M HA 0.133 4.613 4.480 -0.001 0.000 0.351 426 M C -1.359 174.637 176.300 -0.507 0.000 1.214 426 M CA -1.930 53.033 55.300 -0.562 0.000 1.120 426 M CB 0.751 33.126 32.600 -0.376 0.000 1.443 426 M HN -0.142 nan 8.290 nan 0.000 0.429 427 P HA -0.083 nan 4.420 nan 0.000 0.225 427 P C 0.937 178.072 177.300 -0.274 0.000 1.148 427 P CA 1.192 64.083 63.100 -0.349 0.000 0.779 427 P CB 0.179 31.672 31.700 -0.345 0.000 0.780 428 G N -0.617 107.943 108.800 -0.400 0.000 3.189 428 G HA2 0.300 4.260 3.960 -0.001 0.000 0.225 428 G HA3 0.300 4.260 3.960 -0.001 0.000 0.225 428 G C 0.670 175.592 174.900 0.036 0.000 1.159 428 G CA 0.082 45.106 45.100 -0.128 0.000 0.763 428 G HN 0.428 nan 8.290 nan 0.000 0.549 429 G N -0.178 108.583 108.800 -0.064 0.000 2.441 429 G HA2 0.619 4.578 3.960 -0.001 0.000 0.334 429 G HA3 0.619 4.578 3.960 -0.001 0.000 0.334 429 G C -0.888 173.930 174.900 -0.137 0.000 1.161 429 G CA -0.754 44.354 45.100 0.014 0.000 0.935 429 G HN 0.039 nan 8.290 nan 0.000 0.488 430 R N 1.245 121.602 120.500 -0.238 0.000 2.502 430 R HA 0.441 4.780 4.340 -0.001 0.000 0.300 430 R C -1.103 175.177 176.300 -0.033 0.000 0.984 430 R CA -0.829 55.089 56.100 -0.302 0.000 0.882 430 R CB 1.642 31.469 30.300 -0.788 0.000 1.180 430 R HN 0.550 nan 8.270 nan 0.000 0.444 431 N N 1.838 120.558 118.700 0.034 0.000 2.229 431 N HA 0.294 5.034 4.740 -0.001 0.000 0.298 431 N C -1.184 174.269 175.510 -0.094 0.000 1.114 431 N CA -0.811 52.230 53.050 -0.014 0.000 0.776 431 N CB 2.726 41.177 38.487 -0.061 0.000 1.501 431 N HN 0.256 nan 8.380 nan 0.000 0.474 432 L N 2.842 123.855 121.223 -0.349 0.000 2.260 432 L HA 0.435 4.774 4.340 -0.001 0.000 0.289 432 L C -1.214 175.281 176.870 -0.626 0.000 1.057 432 L CA 0.072 54.676 54.840 -0.393 0.000 0.811 432 L CB -0.454 41.337 42.059 -0.448 0.000 1.184 432 L HN 0.404 nan 8.230 nan 0.000 0.429 433 Y N 4.079 123.960 120.300 -0.698 0.000 2.654 433 Y HA 0.722 5.271 4.550 -0.001 0.000 0.328 433 Y C -0.169 175.313 175.900 -0.695 0.000 1.174 433 Y CA -0.683 56.939 58.100 -0.796 0.000 1.293 433 Y CB 1.215 38.958 38.460 -1.195 0.000 1.464 433 Y HN 0.593 nan 8.280 nan 0.000 0.559 434 K N 0.601 120.767 120.400 -0.391 0.000 2.580 434 K HA 0.581 4.901 4.320 -0.001 0.000 0.258 434 K C -2.368 174.046 176.600 -0.310 0.000 0.936 434 K CA -0.414 55.591 56.287 -0.471 0.000 0.852 434 K CB 1.117 33.106 32.500 -0.852 0.000 1.329 434 K HN 0.650 nan 8.250 nan 0.000 0.430 435 I N 2.467 122.921 120.570 -0.192 0.000 2.569 435 I HA 0.264 4.433 4.170 -0.001 0.000 0.296 435 I C -0.444 175.691 176.117 0.030 0.000 1.028 435 I CA -1.075 60.191 61.300 -0.056 0.000 1.082 435 I CB 2.220 40.241 38.000 0.035 0.000 1.264 435 I HN 0.688 nan 8.210 nan 0.000 0.429 436 Q N 4.378 124.282 119.800 0.172 0.000 2.279 436 Q HA 0.306 4.646 4.340 -0.001 0.000 0.256 436 Q C 0.400 176.565 176.000 0.276 0.000 0.937 436 Q CA -0.387 55.648 55.803 0.386 0.000 0.933 436 Q CB 1.366 30.322 28.738 0.362 0.000 1.189 436 Q HN 0.667 nan 8.270 nan 0.000 0.417 437 L N 2.429 123.780 121.223 0.213 0.000 1.994 437 L HA -0.208 4.132 4.340 -0.001 0.000 0.208 437 L C 2.460 179.415 176.870 0.142 0.000 1.071 437 L CA 1.872 56.861 54.840 0.248 0.000 0.745 437 L CB -0.923 41.231 42.059 0.158 0.000 0.892 437 L HN 0.801 nan 8.230 nan 0.000 0.431 438 T N -3.758 110.821 114.554 0.042 0.000 2.929 438 T HA -0.173 4.177 4.350 -0.001 0.000 0.271 438 T C 0.717 175.359 174.700 -0.097 0.000 1.085 438 T CA 1.021 63.098 62.100 -0.039 0.000 1.125 438 T CB -0.158 68.693 68.868 -0.028 0.000 0.874 438 T HN 0.201 nan 8.240 nan 0.000 0.494 439 D N 0.333 120.711 120.400 -0.037 0.000 2.358 439 D HA 0.167 4.806 4.640 -0.001 0.000 0.253 439 D C -0.263 176.085 176.300 0.080 0.000 1.288 439 D CA -0.581 53.398 54.000 -0.034 0.000 0.950 439 D CB 0.703 41.512 40.800 0.016 0.000 1.197 439 D HN 0.135 nan 8.370 nan 0.000 0.550 440 H N 1.727 120.815 119.070 0.029 0.000 2.562 440 H HA 0.070 4.625 4.556 -0.001 0.000 0.272 440 H C 1.270 176.611 175.328 0.021 0.000 1.019 440 H CA 0.492 56.556 56.048 0.027 0.000 1.160 440 H CB 0.096 29.870 29.762 0.019 0.000 1.334 440 H HN 0.281 nan 8.280 nan 0.000 0.611 441 T N -0.919 113.705 114.554 0.116 0.000 3.039 441 T HA -0.044 4.306 4.350 -0.001 0.000 0.250 441 T C 1.793 176.525 174.700 0.053 0.000 1.052 441 T CA 0.741 62.882 62.100 0.069 0.000 1.125 441 T CB -0.234 68.658 68.868 0.039 0.000 0.908 441 T HN 0.665 nan 8.240 nan 0.000 0.473 442 N N 2.474 121.209 118.700 0.059 0.000 3.085 442 N HA 0.089 4.828 4.740 -0.001 0.000 0.313 442 N C 0.133 175.643 175.510 -0.001 0.000 1.277 442 N CA 0.235 53.306 53.050 0.036 0.000 1.150 442 N CB -0.826 37.703 38.487 0.070 0.000 1.437 442 N HN 0.427 nan 8.380 nan 0.000 0.558 443 K N 0.666 121.071 120.400 0.007 0.000 2.211 443 K HA 0.348 4.668 4.320 -0.001 0.000 0.275 443 K C -0.622 175.957 176.600 -0.036 0.000 1.024 443 K CA -0.556 55.734 56.287 0.005 0.000 0.887 443 K CB 0.586 33.128 32.500 0.070 0.000 1.084 443 K HN 0.371 nan 8.250 nan 0.000 0.463 444 K N 4.388 124.724 120.400 -0.105 0.000 2.501 444 K HA 0.223 4.543 4.320 -0.001 0.000 0.252 444 K C -1.545 174.862 176.600 -0.322 0.000 0.934 444 K CA -0.863 55.319 56.287 -0.175 0.000 0.797 444 K CB 1.695 34.072 32.500 -0.204 0.000 1.270 444 K HN 0.791 nan 8.250 nan 0.000 0.431 445 C N 5.376 124.394 119.300 -0.469 0.000 2.536 445 C HA 0.394 4.853 4.460 -0.001 0.000 0.396 445 C C 1.153 175.751 174.990 -0.654 0.000 1.279 445 C CA -0.490 57.957 59.018 -0.951 0.000 2.148 445 C CB -0.762 26.314 27.740 -1.106 0.000 2.584 445 C HN 0.894 nan 8.230 nan 0.000 0.579 446 L N 4.629 125.441 121.223 -0.686 0.000 2.766 446 L HA 0.181 4.521 4.340 -0.001 0.000 0.242 446 L C 1.702 178.262 176.870 -0.516 0.000 1.136 446 L CA 0.388 54.932 54.840 -0.493 0.000 0.933 446 L CB -0.232 41.546 42.059 -0.467 0.000 1.241 446 L HN 0.873 nan 8.230 nan 0.000 0.522 447 S N -3.075 112.227 115.700 -0.663 0.000 2.649 447 S HA 0.006 4.476 4.470 -0.001 0.000 0.246 447 S C 1.635 175.947 174.600 -0.480 0.000 1.057 447 S CA -0.120 57.626 58.200 -0.756 0.000 1.051 447 S CB -0.215 62.138 63.200 -1.412 0.000 1.018 447 S HN 0.282 nan 8.310 nan 0.000 0.569 448 C N 2.979 121.946 119.300 -0.555 0.000 2.403 448 C HA -0.085 4.375 4.460 -0.001 0.000 0.277 448 C C 2.293 177.105 174.990 -0.298 0.000 1.248 448 C CA 1.333 59.977 59.018 -0.622 0.000 1.762 448 C CB -0.965 26.090 27.740 -1.143 0.000 2.014 448 C HN 0.627 nan 8.230 nan 0.000 0.486 449 D N 0.695 120.959 120.400 -0.227 0.000 2.154 449 D HA -0.003 4.637 4.640 -0.001 0.000 0.211 449 D C 2.103 178.391 176.300 -0.019 0.000 0.977 449 D CA 0.548 54.493 54.000 -0.091 0.000 0.869 449 D CB -0.866 39.880 40.800 -0.090 0.000 1.022 449 D HN 0.360 nan 8.370 nan 0.000 0.461 450 L N -0.164 121.044 121.223 -0.025 0.000 2.402 450 L HA -0.324 4.015 4.340 -0.001 0.000 0.240 450 L C 0.254 177.171 176.870 0.078 0.000 1.135 450 L CA 2.035 56.903 54.840 0.047 0.000 0.830 450 L CB -0.886 41.219 42.059 0.076 0.000 0.988 450 L HN 0.081 nan 8.230 nan 0.000 0.428 451 N N -1.677 117.093 118.700 0.117 0.000 2.697 451 N HA 0.141 4.881 4.740 -0.001 0.000 0.253 451 N C -1.922 173.639 175.510 0.085 0.000 1.604 451 N CA -0.642 52.457 53.050 0.080 0.000 0.772 451 N CB 0.905 39.427 38.487 0.058 0.000 1.267 451 N HN 0.115 nan 8.380 nan 0.000 0.510 452 P HA -0.246 nan 4.420 nan 0.000 0.218 452 P C 0.325 177.674 177.300 0.081 0.000 1.146 452 P CA 1.591 64.766 63.100 0.125 0.000 0.820 452 P CB 0.538 32.317 31.700 0.131 0.000 0.778 453 E N 0.357 120.585 120.200 0.047 0.000 2.021 453 E HA -0.077 4.273 4.350 -0.001 0.000 0.189 453 E C 2.424 179.025 176.600 0.002 0.000 0.980 453 E CA 0.692 57.105 56.400 0.023 0.000 0.803 453 E CB -1.081 28.625 29.700 0.011 0.000 0.766 453 E HN 0.149 nan 8.360 nan 0.000 0.449 454 R N -0.036 120.454 120.500 -0.016 0.000 2.100 454 R HA 0.137 4.476 4.340 -0.001 0.000 0.220 454 R C -0.243 176.003 176.300 -0.089 0.000 1.091 454 R CA 0.822 56.888 56.100 -0.057 0.000 0.986 454 R CB 0.142 30.399 30.300 -0.072 0.000 0.888 454 R HN 0.248 nan 8.270 nan 0.000 0.444 455 c N 1.045 119.593 118.600 -0.086 0.000 2.301 455 c HA 0.439 5.009 4.570 -0.001 0.000 0.323 455 c C 0.248 174.267 174.090 -0.119 0.000 1.265 455 c CA -0.717 55.474 56.329 -0.230 0.000 1.503 455 c CB 1.346 43.615 42.510 -0.401 0.000 2.195 455 c HN 0.507 nan 8.230 nan 0.000 0.477 456 Q N 0.224 119.956 119.800 -0.113 0.000 2.081 456 Q HA 0.147 4.487 4.340 -0.001 0.000 0.220 456 Q C -0.901 175.146 176.000 0.079 0.000 0.775 456 Q CA 0.087 55.927 55.803 0.062 0.000 0.983 456 Q CB 1.230 30.027 28.738 0.098 0.000 1.188 456 Q HN 0.819 nan 8.270 nan 0.000 0.458 457 Y N 0.716 120.895 120.300 -0.201 0.000 2.681 457 Y HA 0.350 4.899 4.550 -0.001 0.000 0.347 457 Y C -1.321 174.457 175.900 -0.204 0.000 1.029 457 Y CA -0.943 57.083 58.100 -0.124 0.000 1.279 457 Y CB 0.501 38.907 38.460 -0.090 0.000 1.096 457 Y HN -0.057 nan 8.280 nan 0.000 0.580 458 Y N 1.602 121.840 120.300 -0.104 0.000 2.403 458 Y HA 0.527 5.077 4.550 -0.001 0.000 0.323 458 Y C 0.490 176.344 175.900 -0.076 0.000 1.226 458 Y CA -0.396 57.660 58.100 -0.075 0.000 1.235 458 Y CB 1.804 40.199 38.460 -0.107 0.000 1.248 458 Y HN 0.434 nan 8.280 nan 0.000 0.489 459 S N 1.461 117.277 115.700 0.192 0.000 2.513 459 S HA 0.779 5.248 4.470 -0.001 0.000 0.299 459 S C -1.324 173.375 174.600 0.165 0.000 1.087 459 S CA -0.606 57.688 58.200 0.157 0.000 1.012 459 S CB 1.591 64.912 63.200 0.202 0.000 1.044 459 S HN 0.614 nan 8.310 nan 0.000 0.485 460 V N 1.697 121.687 119.914 0.127 0.000 3.240 460 V HA 0.971 5.091 4.120 -0.001 0.000 0.306 460 V C -0.680 175.520 176.094 0.178 0.000 1.227 460 V CA 0.073 62.443 62.300 0.115 0.000 1.047 460 V CB 2.106 33.932 31.823 0.004 0.000 1.203 460 V HN 1.458 nan 8.190 nan 0.000 0.471 461 S N 1.485 117.310 115.700 0.209 0.000 2.284 461 S HA 0.313 4.782 4.470 -0.001 0.000 0.220 461 S C -1.644 173.209 174.600 0.422 0.000 0.692 461 S CA -0.588 57.803 58.200 0.318 0.000 0.895 461 S CB -0.232 63.177 63.200 0.348 0.000 1.346 461 S HN 0.614 nan 8.310 nan 0.000 0.391 462 L N 3.859 125.180 121.223 0.162 0.000 2.379 462 L HA 0.653 4.993 4.340 -0.001 0.000 0.269 462 L C 1.217 177.782 176.870 -0.507 0.000 1.084 462 L CA -0.129 54.660 54.840 -0.085 0.000 0.802 462 L CB 1.311 43.217 42.059 -0.255 0.000 1.175 462 L HN 0.747 nan 8.230 nan 0.000 0.448 463 S N 0.953 116.000 115.700 -1.088 0.000 2.596 463 S HA 0.142 4.612 4.470 -0.001 0.000 0.260 463 S C 1.161 175.433 174.600 -0.548 0.000 1.336 463 S CA -0.570 56.691 58.200 -1.566 0.000 0.993 463 S CB 0.477 62.803 63.200 -1.458 0.000 0.923 463 S HN 0.498 nan 8.310 nan 0.000 0.567 464 K N 1.012 121.241 120.400 -0.284 0.000 2.163 464 K HA -0.188 4.131 4.320 -0.001 0.000 0.210 464 K C 0.879 177.445 176.600 -0.056 0.000 1.048 464 K CA 2.091 58.337 56.287 -0.067 0.000 0.928 464 K CB -0.486 32.026 32.500 0.020 0.000 0.716 464 K HN 0.835 nan 8.250 nan 0.000 0.459 465 E N -1.582 118.558 120.200 -0.100 0.000 2.968 465 E HA 0.315 4.664 4.350 -0.001 0.000 0.202 465 E C -0.551 175.999 176.600 -0.083 0.000 0.979 465 E CA 0.260 56.629 56.400 -0.051 0.000 1.192 465 E CB 0.765 30.456 29.700 -0.016 0.000 1.059 465 E HN 0.237 nan 8.360 nan 0.000 0.470 466 A N 1.454 124.168 122.820 -0.177 0.000 2.872 466 A HA -0.304 4.016 4.320 -0.001 0.000 0.273 466 A C 1.333 178.799 177.584 -0.197 0.000 1.442 466 A CA 1.555 53.453 52.037 -0.232 0.000 0.801 466 A CB -1.871 17.025 19.000 -0.174 0.000 1.031 466 A HN 0.320 nan 8.150 nan 0.000 0.582 467 K N -1.712 118.523 120.400 -0.274 0.000 2.186 467 K HA 0.164 4.484 4.320 -0.001 0.000 0.202 467 K C 0.117 176.290 176.600 -0.711 0.000 1.052 467 K CA 1.257 57.278 56.287 -0.442 0.000 0.965 467 K CB 0.082 32.289 32.500 -0.488 0.000 0.746 467 K HN 0.689 nan 8.250 nan 0.000 0.457 468 Y N -0.823 119.363 120.300 -0.190 0.000 2.576 468 Y HA 0.318 4.867 4.550 -0.001 0.000 0.346 468 Y C -1.101 174.762 175.900 -0.062 0.000 1.018 468 Y CA -1.416 56.611 58.100 -0.121 0.000 1.050 468 Y CB 1.735 40.188 38.460 -0.011 0.000 1.280 468 Y HN -0.036 nan 8.280 nan 0.000 0.474 469 Y N -0.500 119.930 120.300 0.217 0.000 2.401 469 Y HA 0.451 5.000 4.550 -0.001 0.000 0.330 469 Y C -1.275 174.789 175.900 0.273 0.000 1.071 469 Y CA -1.464 56.730 58.100 0.156 0.000 1.049 469 Y CB 1.244 39.653 38.460 -0.085 0.000 1.239 469 Y HN 0.585 nan 8.280 nan 0.000 0.437 470 Q N 4.532 124.645 119.800 0.522 0.000 2.243 470 Q HA 0.539 4.879 4.340 -0.001 0.000 0.252 470 Q C -1.645 174.560 176.000 0.341 0.000 0.909 470 Q CA -0.628 55.393 55.803 0.364 0.000 0.922 470 Q CB 1.490 30.366 28.738 0.230 0.000 1.215 470 Q HN 1.020 nan 8.270 nan 0.000 0.427 471 L N 1.979 123.384 121.223 0.302 0.000 2.329 471 L HA 0.595 4.935 4.340 -0.001 0.000 0.279 471 L C 0.248 177.271 176.870 0.255 0.000 1.014 471 L CA -0.855 54.136 54.840 0.251 0.000 0.814 471 L CB 2.060 44.208 42.059 0.149 0.000 1.257 471 L HN 0.771 nan 8.230 nan 0.000 0.424 472 G N 1.433 110.367 108.800 0.222 0.000 2.671 472 G HA2 0.330 4.289 3.960 -0.001 0.000 0.318 472 G HA3 0.330 4.289 3.960 -0.001 0.000 0.318 472 G C -0.772 174.025 174.900 -0.171 0.000 1.250 472 G CA -0.295 44.772 45.100 -0.055 0.000 1.028 472 G HN 0.672 nan 8.290 nan 0.000 0.501 473 c N 5.023 123.361 118.600 -0.437 0.000 2.373 473 c HA 0.583 5.152 4.570 -0.001 0.000 0.354 473 c C 1.095 174.964 174.090 -0.369 0.000 1.249 473 c CA -0.826 55.198 56.329 -0.509 0.000 1.784 473 c CB -0.109 42.123 42.510 -0.464 0.000 2.408 473 c HN 0.731 nan 8.230 nan 0.000 0.542 474 R N 3.992 124.380 120.500 -0.187 0.000 2.365 474 R HA 0.226 4.566 4.340 -0.001 0.000 0.223 474 R C 1.325 177.612 176.300 -0.021 0.000 0.899 474 R CA 0.323 56.412 56.100 -0.019 0.000 1.059 474 R CB -1.078 29.297 30.300 0.125 0.000 1.086 474 R HN 0.901 nan 8.270 nan 0.000 0.522 475 G N 2.976 111.710 108.800 -0.111 0.000 3.026 475 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.232 475 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.232 475 G C -1.456 173.426 174.900 -0.031 0.000 1.241 475 G CA -0.584 44.464 45.100 -0.087 0.000 0.858 475 G HN -0.002 nan 8.290 nan 0.000 0.592 476 P HA -0.227 nan 4.420 nan 0.000 0.229 476 P C 1.570 178.892 177.300 0.038 0.000 1.147 476 P CA 2.047 65.166 63.100 0.033 0.000 0.949 476 P CB -0.131 31.579 31.700 0.016 0.000 0.786 477 G N -1.434 107.322 108.800 -0.072 0.000 2.489 477 G HA2 0.321 4.281 3.960 -0.001 0.000 0.271 477 G HA3 0.321 4.281 3.960 -0.001 0.000 0.271 477 G C -0.491 174.138 174.900 -0.453 0.000 1.427 477 G CA -0.633 44.344 45.100 -0.204 0.000 1.057 477 G HN 0.063 nan 8.290 nan 0.000 0.532 478 L N 2.266 123.146 121.223 -0.571 0.000 2.410 478 L HA 0.189 4.529 4.340 -0.001 0.000 0.273 478 L C -1.586 175.082 176.870 -0.337 0.000 1.152 478 L CA -1.358 53.067 54.840 -0.691 0.000 0.855 478 L CB 0.751 42.527 42.059 -0.471 0.000 1.129 478 L HN 0.331 nan 8.230 nan 0.000 0.463 479 P HA -0.084 nan 4.420 nan 0.000 0.259 479 P C -0.812 176.383 177.300 -0.176 0.000 1.163 479 P CA 0.024 63.035 63.100 -0.149 0.000 0.760 479 P CB 0.766 32.505 31.700 0.066 0.000 0.762 480 L N 6.167 127.193 121.223 -0.327 0.000 2.343 480 L HA 0.438 4.777 4.340 -0.001 0.000 0.278 480 L C -1.283 175.390 176.870 -0.328 0.000 0.996 480 L CA -0.921 53.793 54.840 -0.210 0.000 0.831 480 L CB 0.769 42.755 42.059 -0.122 0.000 1.232 480 L HN 0.176 nan 8.230 nan 0.000 0.413 481 Y N 2.851 123.165 120.300 0.023 0.000 2.341 481 Y HA 0.747 5.296 4.550 -0.001 0.000 0.337 481 Y C 0.477 176.350 175.900 -0.046 0.000 1.014 481 Y CA -0.501 57.614 58.100 0.025 0.000 1.111 481 Y CB 2.045 40.521 38.460 0.026 0.000 1.194 481 Y HN 0.659 nan 8.280 nan 0.000 0.462 482 T N 1.877 116.513 114.554 0.136 0.000 2.923 482 T HA 0.680 5.030 4.350 -0.001 0.000 0.311 482 T C -1.184 173.597 174.700 0.134 0.000 1.183 482 T CA -0.999 61.133 62.100 0.052 0.000 1.020 482 T CB 1.342 70.264 68.868 0.090 0.000 1.165 482 T HN 0.714 nan 8.240 nan 0.000 0.482 483 L N 0.997 122.207 121.223 -0.021 0.000 2.334 483 L HA 0.939 5.278 4.340 -0.001 0.000 0.273 483 L C -1.421 175.414 176.870 -0.058 0.000 1.013 483 L CA -0.858 54.038 54.840 0.094 0.000 0.816 483 L CB 1.422 43.498 42.059 0.029 0.000 1.278 483 L HN 0.819 nan 8.230 nan 0.000 0.431 484 H N 1.091 119.998 119.070 -0.271 0.000 2.797 484 H HA 0.524 5.080 4.556 -0.001 0.000 0.372 484 H C -0.894 174.251 175.328 -0.306 0.000 1.168 484 H CA -0.856 54.949 56.048 -0.405 0.000 1.163 484 H CB 1.416 30.691 29.762 -0.811 0.000 1.778 484 H HN 0.681 nan 8.280 nan 0.000 0.551 485 R N 0.528 121.004 120.500 -0.039 0.000 2.216 485 R HA 0.333 4.673 4.340 -0.001 0.000 0.332 485 R C 0.660 176.893 176.300 -0.112 0.000 1.056 485 R CA -0.170 55.926 56.100 -0.006 0.000 0.901 485 R CB 1.020 31.341 30.300 0.035 0.000 1.039 485 R HN 0.554 nan 8.270 nan 0.000 0.456 486 S N 2.857 118.474 115.700 -0.139 0.000 2.372 486 S HA -0.228 4.242 4.470 -0.001 0.000 0.227 486 S C 1.155 175.831 174.600 0.126 0.000 1.044 486 S CA 2.343 60.601 58.200 0.097 0.000 1.050 486 S CB -0.326 62.909 63.200 0.059 0.000 0.901 486 S HN 0.869 nan 8.310 nan 0.000 0.447 487 T N 1.552 116.121 114.554 0.025 0.000 2.565 487 T HA -0.217 4.132 4.350 -0.001 0.000 0.265 487 T C 1.279 176.019 174.700 0.067 0.000 1.082 487 T CA 1.973 64.104 62.100 0.051 0.000 1.173 487 T CB -0.662 68.207 68.868 0.003 0.000 0.864 487 T HN 0.865 nan 8.240 nan 0.000 0.425 488 D N -0.503 119.923 120.400 0.044 0.000 2.469 488 D HA 0.268 4.908 4.640 -0.001 0.000 0.213 488 D C 0.672 177.001 176.300 0.048 0.000 1.135 488 D CA -0.141 53.882 54.000 0.039 0.000 0.834 488 D CB -0.082 40.731 40.800 0.022 0.000 1.009 488 D HN 0.273 nan 8.370 nan 0.000 0.507 489 Q N -0.630 119.215 119.800 0.074 0.000 2.324 489 Q HA -0.246 4.093 4.340 -0.001 0.000 0.200 489 Q C -0.066 175.987 176.000 0.088 0.000 0.645 489 Q CA 1.275 57.145 55.803 0.111 0.000 1.377 489 Q CB -1.864 26.952 28.738 0.130 0.000 1.486 489 Q HN 0.502 nan 8.270 nan 0.000 0.796 490 K N 2.060 122.474 120.400 0.023 0.000 2.440 490 K HA -0.085 4.235 4.320 -0.001 0.000 0.275 490 K C -0.170 176.370 176.600 -0.101 0.000 1.082 490 K CA 0.467 56.742 56.287 -0.020 0.000 1.135 490 K CB 0.246 32.734 32.500 -0.021 0.000 0.864 490 K HN 0.256 nan 8.250 nan 0.000 0.479 491 E N 6.016 126.101 120.200 -0.191 0.000 2.081 491 E HA -0.054 4.295 4.350 -0.001 0.000 0.270 491 E C 0.783 177.204 176.600 -0.298 0.000 1.180 491 E CA -0.221 55.876 56.400 -0.505 0.000 0.926 491 E CB 0.270 29.685 29.700 -0.476 0.000 1.035 491 E HN 0.662 nan 8.360 nan 0.000 0.418 492 L N 4.504 125.575 121.223 -0.254 0.000 1.989 492 L HA -0.159 4.181 4.340 -0.001 0.000 0.211 492 L C 1.390 178.173 176.870 -0.145 0.000 1.071 492 L CA 1.510 56.263 54.840 -0.145 0.000 0.749 492 L CB -0.648 41.350 42.059 -0.102 0.000 0.890 492 L HN 0.633 nan 8.230 nan 0.000 0.431 493 R N -2.333 118.055 120.500 -0.186 0.000 2.764 493 R HA 0.498 4.837 4.340 -0.001 0.000 0.276 493 R C -1.596 174.594 176.300 -0.183 0.000 1.021 493 R CA -0.963 55.044 56.100 -0.155 0.000 0.870 493 R CB 1.619 31.851 30.300 -0.113 0.000 1.293 493 R HN -0.285 nan 8.270 nan 0.000 0.469 494 V N 2.626 122.450 119.914 -0.150 0.000 2.333 494 V HA 0.212 4.332 4.120 -0.001 0.000 0.274 494 V C 1.305 177.274 176.094 -0.208 0.000 1.028 494 V CA -0.528 61.687 62.300 -0.142 0.000 0.851 494 V CB 1.115 32.886 31.823 -0.087 0.000 1.000 494 V HN 0.631 nan 8.190 nan 0.000 0.456 495 L N 2.743 123.773 121.223 -0.322 0.000 2.156 495 L HA 0.140 4.480 4.340 -0.001 0.000 0.208 495 L C 0.793 177.406 176.870 -0.429 0.000 1.095 495 L CA 1.019 55.452 54.840 -0.678 0.000 0.770 495 L CB 0.130 41.469 42.059 -1.199 0.000 0.914 495 L HN 0.701 nan 8.230 nan 0.000 0.439 496 E N 0.600 120.729 120.200 -0.119 0.000 2.522 496 E HA 0.117 4.467 4.350 -0.001 0.000 0.315 496 E C -1.867 174.803 176.600 0.117 0.000 0.917 496 E CA -0.601 55.831 56.400 0.054 0.000 0.796 496 E CB 0.839 30.639 29.700 0.166 0.000 1.323 496 E HN 0.159 nan 8.360 nan 0.000 0.397 497 D N 2.666 123.101 120.400 0.057 0.000 2.362 497 D HA 0.270 4.910 4.640 -0.001 0.000 0.247 497 D C -0.526 175.798 176.300 0.039 0.000 1.050 497 D CA -0.790 53.228 54.000 0.030 0.000 0.839 497 D CB 1.215 42.014 40.800 -0.002 0.000 1.283 497 D HN 0.376 nan 8.370 nan 0.000 0.477 498 N N 0.567 119.278 118.700 0.018 0.000 3.259 498 N HA 0.008 4.748 4.740 -0.001 0.000 0.308 498 N C 1.362 176.877 175.510 0.010 0.000 1.334 498 N CA -0.139 52.927 53.050 0.026 0.000 1.202 498 N CB 0.340 38.837 38.487 0.016 0.000 1.485 498 N HN 0.412 nan 8.380 nan 0.000 0.549 499 S N -0.407 115.303 115.700 0.017 0.000 2.359 499 S HA -0.264 4.205 4.470 -0.001 0.000 0.224 499 S C 2.149 176.768 174.600 0.032 0.000 1.035 499 S CA 0.975 59.184 58.200 0.015 0.000 1.018 499 S CB -0.361 62.849 63.200 0.017 0.000 0.876 499 S HN 0.435 nan 8.310 nan 0.000 0.448 500 A N 2.317 125.167 122.820 0.050 0.000 1.865 500 A HA 0.007 4.327 4.320 -0.001 0.000 0.217 500 A C 2.306 179.944 177.584 0.089 0.000 1.191 500 A CA 1.763 53.841 52.037 0.068 0.000 0.623 500 A CB -1.105 17.940 19.000 0.074 0.000 0.826 500 A HN 0.559 nan 8.150 nan 0.000 0.444 501 L N 0.229 121.509 121.223 0.095 0.000 2.042 501 L HA -0.207 4.133 4.340 -0.001 0.000 0.210 501 L C 2.054 178.971 176.870 0.078 0.000 1.076 501 L CA 2.840 57.756 54.840 0.126 0.000 0.749 501 L CB -0.668 41.459 42.059 0.114 0.000 0.893 501 L HN 0.512 nan 8.230 nan 0.000 0.432 502 D N -0.136 120.277 120.400 0.022 0.000 2.104 502 D HA -0.265 4.375 4.640 -0.001 0.000 0.194 502 D C 2.184 178.494 176.300 0.017 0.000 0.994 502 D CA 2.168 56.161 54.000 -0.012 0.000 0.830 502 D CB 0.237 41.019 40.800 -0.030 0.000 0.959 502 D HN 0.469 nan 8.370 nan 0.000 0.452 503 K N 0.689 121.113 120.400 0.040 0.000 2.103 503 K HA -0.106 4.213 4.320 -0.001 0.000 0.207 503 K C 2.346 178.994 176.600 0.080 0.000 1.048 503 K CA 1.763 58.081 56.287 0.052 0.000 0.930 503 K CB -0.876 31.657 32.500 0.055 0.000 0.716 503 K HN 0.317 nan 8.250 nan 0.000 0.444 504 M N -0.069 119.607 119.600 0.126 0.000 2.156 504 M HA 0.115 4.595 4.480 -0.001 0.000 0.264 504 M C 2.294 178.687 176.300 0.154 0.000 1.067 504 M CA 1.079 56.507 55.300 0.213 0.000 1.131 504 M CB -0.192 32.637 32.600 0.382 0.000 1.368 504 M HN 0.179 nan 8.290 nan 0.000 0.416 505 L N 0.333 121.572 121.223 0.026 0.000 2.549 505 L HA -0.163 4.176 4.340 -0.001 0.000 0.229 505 L C 2.489 179.327 176.870 -0.054 0.000 1.158 505 L CA 0.292 55.056 54.840 -0.125 0.000 0.842 505 L CB -0.588 41.379 42.059 -0.153 0.000 0.952 505 L HN 0.376 nan 8.230 nan 0.000 0.452 506 Q N 0.271 120.073 119.800 0.004 0.000 2.050 506 Q HA -0.152 4.187 4.340 -0.001 0.000 0.202 506 Q C 0.984 177.002 176.000 0.029 0.000 0.980 506 Q CA 1.283 57.094 55.803 0.014 0.000 0.840 506 Q CB -0.235 28.520 28.738 0.028 0.000 0.898 506 Q HN 0.551 nan 8.270 nan 0.000 0.424 507 D N 0.560 120.994 120.400 0.058 0.000 2.400 507 D HA 0.088 4.727 4.640 -0.001 0.000 0.243 507 D C -0.227 176.121 176.300 0.080 0.000 1.184 507 D CA 0.121 54.166 54.000 0.075 0.000 0.853 507 D CB 0.339 41.200 40.800 0.100 0.000 0.944 507 D HN -0.064 nan 8.370 nan 0.000 0.501 508 V N 0.364 120.301 119.914 0.037 0.000 2.841 508 V HA 0.154 4.273 4.120 -0.001 0.000 0.310 508 V C -0.020 176.070 176.094 -0.005 0.000 1.090 508 V CA -0.998 61.319 62.300 0.029 0.000 0.930 508 V CB 2.645 34.445 31.823 -0.039 0.000 1.014 508 V HN -0.129 nan 8.190 nan 0.000 0.425 509 Q N 3.940 123.747 119.800 0.012 0.000 2.837 509 Q HA 0.354 4.693 4.340 -0.001 0.000 0.235 509 Q C -0.365 175.586 176.000 -0.081 0.000 1.348 509 Q CA -0.235 55.542 55.803 -0.043 0.000 0.990 509 Q CB 0.414 29.140 28.738 -0.021 0.000 1.570 509 Q HN 0.551 nan 8.270 nan 0.000 0.575 510 M N 3.272 122.808 119.600 -0.108 0.000 2.243 510 M HA 0.268 4.747 4.480 -0.001 0.000 0.341 510 M C -1.932 174.279 176.300 -0.149 0.000 1.130 510 M CA -1.790 53.427 55.300 -0.138 0.000 1.162 510 M CB -0.156 32.359 32.600 -0.142 0.000 1.497 510 M HN 0.256 nan 8.290 nan 0.000 0.456 511 P HA 0.293 nan 4.420 nan 0.000 0.280 511 P C -0.821 176.389 177.300 -0.150 0.000 1.272 511 P CA -0.399 62.599 63.100 -0.171 0.000 0.819 511 P CB 0.898 32.485 31.700 -0.187 0.000 1.122 512 S N -0.207 115.398 115.700 -0.158 0.000 2.758 512 S HA 0.590 5.059 4.470 -0.001 0.000 0.292 512 S C -0.372 174.144 174.600 -0.140 0.000 1.130 512 S CA -0.685 57.441 58.200 -0.123 0.000 1.001 512 S CB 1.210 64.346 63.200 -0.107 0.000 1.137 512 S HN 0.550 nan 8.310 nan 0.000 0.550 513 K N 0.426 120.766 120.400 -0.101 0.000 2.601 513 K HA 0.329 4.649 4.320 -0.001 0.000 0.249 513 K C -1.500 175.056 176.600 -0.073 0.000 0.966 513 K CA -0.405 55.825 56.287 -0.095 0.000 0.827 513 K CB 1.360 33.822 32.500 -0.063 0.000 1.178 513 K HN 0.693 nan 8.250 nan 0.000 0.437 514 K N 4.841 125.185 120.400 -0.093 0.000 2.183 514 K HA 0.281 4.600 4.320 -0.001 0.000 0.274 514 K C -1.267 175.282 176.600 -0.084 0.000 1.009 514 K CA -0.750 55.492 56.287 -0.077 0.000 0.888 514 K CB 0.874 33.324 32.500 -0.083 0.000 1.078 514 K HN 0.443 nan 8.250 nan 0.000 0.459 515 L N 5.069 126.264 121.223 -0.047 0.000 2.384 515 L HA 0.406 4.746 4.340 -0.001 0.000 0.261 515 L C -1.068 175.811 176.870 0.015 0.000 1.024 515 L CA 0.033 54.880 54.840 0.012 0.000 0.899 515 L CB 0.656 42.802 42.059 0.145 0.000 1.243 515 L HN 0.730 nan 8.230 nan 0.000 0.449 516 D N 2.302 122.460 120.400 -0.403 0.000 2.784 516 D HA 0.529 5.168 4.640 -0.001 0.000 0.256 516 D C -1.305 174.552 176.300 -0.739 0.000 1.129 516 D CA -0.100 53.573 54.000 -0.544 0.000 1.102 516 D CB 2.206 42.727 40.800 -0.464 0.000 1.330 516 D HN 0.205 nan 8.370 nan 0.000 0.626 517 F N -0.281 119.248 119.950 -0.702 0.000 2.613 517 F HA 0.604 5.131 4.527 -0.001 0.000 0.310 517 F C -1.371 174.514 175.800 0.142 0.000 1.085 517 F CA -0.990 56.769 58.000 -0.403 0.000 0.945 517 F CB 1.232 39.498 39.000 -1.223 0.000 1.298 517 F HN 0.067 nan 8.300 nan 0.000 0.455 518 I N 2.310 123.180 120.570 0.501 0.000 2.910 518 I HA 0.696 4.866 4.170 -0.001 0.000 0.310 518 I C -1.387 175.000 176.117 0.450 0.000 1.043 518 I CA -1.281 60.201 61.300 0.303 0.000 1.053 518 I CB 2.268 40.374 38.000 0.176 0.000 1.242 518 I HN 0.723 nan 8.210 nan 0.000 0.452 519 V N 7.098 127.198 119.914 0.311 0.000 2.444 519 V HA 0.555 4.674 4.120 -0.001 0.000 0.294 519 V C -1.206 175.051 176.094 0.271 0.000 1.022 519 V CA -0.396 62.112 62.300 0.347 0.000 0.850 519 V CB 1.648 33.641 31.823 0.283 0.000 0.992 519 V HN 0.559 nan 8.190 nan 0.000 0.426 520 L N 5.617 127.072 121.223 0.386 0.000 2.342 520 L HA 0.632 4.971 4.340 -0.001 0.000 0.271 520 L C 0.792 177.822 176.870 0.266 0.000 1.008 520 L CA -1.042 53.950 54.840 0.255 0.000 0.818 520 L CB 1.736 43.899 42.059 0.173 0.000 1.296 520 L HN 0.668 nan 8.230 nan 0.000 0.427 521 N N 2.671 121.464 118.700 0.154 0.000 2.696 521 N HA -0.239 4.501 4.740 -0.001 0.000 0.254 521 N C -0.182 175.413 175.510 0.141 0.000 0.988 521 N CA 1.387 54.515 53.050 0.131 0.000 0.775 521 N CB -0.617 37.946 38.487 0.128 0.000 0.933 521 N HN 0.779 nan 8.380 nan 0.000 0.539 522 E N -3.705 116.576 120.200 0.135 0.000 3.181 522 E HA -0.175 4.174 4.350 -0.001 0.000 0.293 522 E C -0.651 176.008 176.600 0.098 0.000 0.936 522 E CA 1.032 57.496 56.400 0.107 0.000 0.975 522 E CB -1.819 27.926 29.700 0.076 0.000 1.496 522 E HN 0.440 nan 8.360 nan 0.000 0.429 523 T N 0.292 114.928 114.554 0.138 0.000 2.893 523 T HA 0.422 4.772 4.350 -0.001 0.000 0.293 523 T C 0.065 174.721 174.700 -0.073 0.000 1.027 523 T CA -0.814 61.282 62.100 -0.006 0.000 0.988 523 T CB 1.972 70.798 68.868 -0.071 0.000 1.043 523 T HN 0.023 nan 8.240 nan 0.000 0.461 524 R N 1.279 121.654 120.500 -0.208 0.000 2.543 524 R HA 0.428 4.767 4.340 -0.001 0.000 0.277 524 R C -1.090 174.998 176.300 -0.352 0.000 1.074 524 R CA 0.106 56.097 56.100 -0.181 0.000 1.076 524 R CB 0.383 30.457 30.300 -0.376 0.000 0.993 524 R HN 0.516 nan 8.270 nan 0.000 0.459 525 F N 1.951 122.068 119.950 0.278 0.000 2.745 525 F HA 0.210 4.737 4.527 -0.001 0.000 0.343 525 F C -0.711 175.319 175.800 0.384 0.000 1.196 525 F CA -0.770 57.403 58.000 0.287 0.000 1.021 525 F CB 0.949 40.159 39.000 0.350 0.000 1.297 525 F HN 0.416 nan 8.300 nan 0.000 0.486 526 W N 3.961 125.437 121.300 0.293 0.000 2.202 526 W HA 0.434 5.094 4.660 -0.001 0.000 0.332 526 W C -0.304 176.452 176.519 0.395 0.000 1.263 526 W CA -0.414 57.133 57.345 0.338 0.000 1.223 526 W CB 0.373 29.938 29.460 0.175 0.000 1.128 526 W HN 0.447 nan 8.180 nan 0.000 0.573 527 Y N -0.519 120.124 120.300 0.571 0.000 2.644 527 Y HA 0.693 5.242 4.550 -0.001 0.000 0.338 527 Y C -1.082 175.052 175.900 0.390 0.000 1.119 527 Y CA -1.888 56.547 58.100 0.558 0.000 1.060 527 Y CB 1.191 40.155 38.460 0.839 0.000 1.294 527 Y HN 0.546 nan 8.280 nan 0.000 0.472 528 Q N 1.735 121.758 119.800 0.371 0.000 2.379 528 Q HA 0.741 5.080 4.340 -0.001 0.000 0.278 528 Q C -1.917 174.177 176.000 0.157 0.000 1.068 528 Q CA -1.129 54.755 55.803 0.135 0.000 0.816 528 Q CB 3.286 32.092 28.738 0.113 0.000 1.387 528 Q HN 0.832 nan 8.270 nan 0.000 0.413 529 M N 2.546 122.163 119.600 0.029 0.000 2.263 529 M HA 0.440 4.920 4.480 -0.001 0.000 0.295 529 M C -1.186 175.024 176.300 -0.149 0.000 1.028 529 M CA -0.951 54.305 55.300 -0.073 0.000 0.921 529 M CB 2.128 34.654 32.600 -0.123 0.000 1.601 529 M HN 0.597 nan 8.290 nan 0.000 0.440 530 I N 5.162 125.636 120.570 -0.159 0.000 2.281 530 I HA 0.293 4.463 4.170 -0.001 0.000 0.293 530 I C -0.304 175.631 176.117 -0.304 0.000 1.085 530 I CA -0.269 60.916 61.300 -0.191 0.000 1.257 530 I CB -0.149 37.765 38.000 -0.145 0.000 1.430 530 I HN 0.647 nan 8.210 nan 0.000 0.489 531 L N 8.855 129.840 121.223 -0.397 0.000 2.290 531 L HA 0.349 4.688 4.340 -0.001 0.000 0.284 531 L C -1.864 174.747 176.870 -0.430 0.000 1.078 531 L CA -1.721 52.743 54.840 -0.627 0.000 0.815 531 L CB 0.730 42.269 42.059 -0.867 0.000 1.162 531 L HN 0.293 nan 8.230 nan 0.000 0.435 532 P HA 0.089 nan 4.420 nan 0.000 0.269 532 P C -2.341 174.867 177.300 -0.154 0.000 1.209 532 P CA -0.920 62.041 63.100 -0.232 0.000 0.776 532 P CB 0.299 31.896 31.700 -0.171 0.000 0.876 533 P HA -0.253 nan 4.420 nan 0.000 0.244 533 P C 0.877 178.049 177.300 -0.215 0.000 0.880 533 P CA 1.575 64.523 63.100 -0.253 0.000 1.097 533 P CB -0.760 30.756 31.700 -0.306 0.000 0.731 534 H N -1.317 117.786 119.070 0.054 0.000 4.196 534 H HA -0.016 4.539 4.556 -0.001 0.000 0.236 534 H C 0.424 175.809 175.328 0.096 0.000 1.023 534 H CA -0.135 55.947 56.048 0.058 0.000 1.251 534 H CB -1.981 27.806 29.762 0.041 0.000 1.343 534 H HN 0.116 nan 8.280 nan 0.000 0.815 535 F N 3.005 122.930 119.950 -0.042 0.000 2.473 535 F HA -0.114 4.413 4.527 -0.001 0.000 0.405 535 F C 0.366 176.158 175.800 -0.014 0.000 0.988 535 F CA -0.541 57.390 58.000 -0.115 0.000 1.096 535 F CB 0.134 38.936 39.000 -0.331 0.000 0.944 535 F HN 0.110 nan 8.300 nan 0.000 0.530 536 D N 5.531 125.728 120.400 -0.338 0.000 2.443 536 D HA 0.123 4.762 4.640 -0.001 0.000 0.221 536 D C 0.997 176.920 176.300 -0.629 0.000 1.097 536 D CA -0.420 53.346 54.000 -0.389 0.000 0.865 536 D CB 1.097 41.836 40.800 -0.102 0.000 1.034 536 D HN 0.623 nan 8.370 nan 0.000 0.511 537 K N 1.737 121.628 120.400 -0.849 0.000 2.374 537 K HA -0.210 4.110 4.320 -0.001 0.000 0.202 537 K C 1.564 178.105 176.600 -0.098 0.000 1.044 537 K CA 1.739 57.680 56.287 -0.576 0.000 0.933 537 K CB 0.139 32.450 32.500 -0.315 0.000 0.745 537 K HN 0.453 nan 8.250 nan 0.000 0.474 538 S N -0.705 114.934 115.700 -0.103 0.000 2.421 538 S HA 0.040 4.509 4.470 -0.001 0.000 0.224 538 S C 0.709 175.305 174.600 -0.006 0.000 1.035 538 S CA -0.122 58.065 58.200 -0.022 0.000 0.953 538 S CB 0.076 63.248 63.200 -0.047 0.000 0.810 538 S HN 0.113 nan 8.310 nan 0.000 0.497 539 K N 1.044 121.416 120.400 -0.048 0.000 2.143 539 K HA 0.270 4.590 4.320 -0.001 0.000 0.239 539 K C -0.322 176.235 176.600 -0.073 0.000 1.048 539 K CA -0.025 56.182 56.287 -0.132 0.000 0.867 539 K CB 0.224 32.534 32.500 -0.317 0.000 1.088 539 K HN 0.090 nan 8.250 nan 0.000 0.510 540 K N 1.528 121.798 120.400 -0.217 0.000 2.323 540 K HA 0.310 4.630 4.320 -0.001 0.000 0.259 540 K C -1.160 175.300 176.600 -0.235 0.000 0.947 540 K CA -0.474 55.763 56.287 -0.083 0.000 0.819 540 K CB 1.211 33.668 32.500 -0.072 0.000 1.109 540 K HN 0.401 nan 8.250 nan 0.000 0.429 541 Y N 1.859 122.204 120.300 0.075 0.000 2.549 541 Y HA 0.385 4.935 4.550 -0.001 0.000 0.339 541 Y C -1.977 173.858 175.900 -0.109 0.000 1.053 541 Y CA -2.499 55.603 58.100 0.003 0.000 1.105 541 Y CB 1.254 39.765 38.460 0.085 0.000 1.258 541 Y HN 0.409 nan 8.280 nan 0.000 0.478 542 P HA 0.179 nan 4.420 nan 0.000 0.279 542 P C -1.179 175.998 177.300 -0.206 0.000 1.239 542 P CA -0.205 62.636 63.100 -0.432 0.000 0.789 542 P CB 1.693 32.737 31.700 -1.093 0.000 0.933 543 L N 4.095 125.262 121.223 -0.094 0.000 2.329 543 L HA 0.579 4.919 4.340 -0.001 0.000 0.279 543 L C -1.151 175.884 176.870 0.275 0.000 1.014 543 L CA -0.835 54.050 54.840 0.075 0.000 0.814 543 L CB 1.372 43.471 42.059 0.066 0.000 1.257 543 L HN 0.181 nan 8.230 nan 0.000 0.424 544 L N 6.134 127.518 121.223 0.268 0.000 2.372 544 L HA 0.559 4.899 4.340 -0.001 0.000 0.273 544 L C -1.148 175.940 176.870 0.365 0.000 0.989 544 L CA -0.266 54.796 54.840 0.370 0.000 0.841 544 L CB 1.157 43.402 42.059 0.310 0.000 1.225 544 L HN 0.423 nan 8.230 nan 0.000 0.414 545 I N 4.003 124.844 120.570 0.453 0.000 2.441 545 I HA 0.235 4.405 4.170 -0.001 0.000 0.287 545 I C 0.063 176.435 176.117 0.425 0.000 1.049 545 I CA 0.025 61.584 61.300 0.432 0.000 1.381 545 I CB 1.094 39.390 38.000 0.493 0.000 1.409 545 I HN 0.621 nan 8.210 nan 0.000 0.523 546 D N 7.114 127.728 120.400 0.358 0.000 2.303 546 D HA 0.470 5.109 4.640 -0.001 0.000 0.236 546 D C -0.778 175.613 176.300 0.151 0.000 1.068 546 D CA -0.169 53.983 54.000 0.255 0.000 0.830 546 D CB 1.600 42.605 40.800 0.341 0.000 1.109 546 D HN 0.258 nan 8.370 nan 0.000 0.496 547 V N 2.287 122.208 119.914 0.010 0.000 3.074 547 V HA 0.611 4.731 4.120 -0.001 0.000 0.314 547 V C -0.600 175.594 176.094 0.166 0.000 1.117 547 V CA -0.680 61.686 62.300 0.110 0.000 1.014 547 V CB 1.710 33.598 31.823 0.108 0.000 1.057 547 V HN 0.689 nan 8.190 nan 0.000 0.438 548 Y N 1.588 121.961 120.300 0.121 0.000 2.975 548 Y HA 0.553 5.103 4.550 -0.001 0.000 0.127 548 Y C 1.488 177.529 175.900 0.235 0.000 0.925 548 Y CA 1.342 59.549 58.100 0.177 0.000 1.894 548 Y CB -0.238 38.292 38.460 0.117 0.000 1.270 548 Y HN 1.455 nan 8.280 nan 0.000 0.235 549 A N 1.331 124.294 122.820 0.238 0.000 2.822 549 A HA -0.069 4.250 4.320 -0.001 0.000 0.287 549 A C 0.683 178.114 177.584 -0.256 0.000 1.479 549 A CA 1.151 53.243 52.037 0.091 0.000 0.779 549 A CB -2.229 16.869 19.000 0.163 0.000 1.022 549 A HN 1.112 nan 8.150 nan 0.000 0.532 550 G N -1.119 107.294 108.800 -0.645 0.000 2.580 550 G HA2 0.566 4.526 3.960 -0.001 0.000 0.278 550 G HA3 0.566 4.526 3.960 -0.001 0.000 0.278 550 G C -2.427 172.143 174.900 -0.550 0.000 1.212 550 G CA -1.340 42.902 45.100 -1.430 0.000 0.939 550 G HN 0.289 nan 8.290 nan 0.000 0.513 551 P HA 0.091 nan 4.420 nan 0.000 0.265 551 P C 0.562 177.737 177.300 -0.209 0.000 1.193 551 P CA 0.144 62.964 63.100 -0.467 0.000 0.765 551 P CB 0.770 31.747 31.700 -1.205 0.000 0.823 552 C N 2.569 121.783 119.300 -0.143 0.000 4.356 552 C HA -0.147 4.313 4.460 -0.001 0.000 0.296 552 C C 0.892 175.808 174.990 -0.124 0.000 1.424 552 C CA 1.104 59.976 59.018 -0.244 0.000 2.000 552 C CB -2.777 24.689 27.740 -0.458 0.000 1.262 552 C HN 0.784 nan 8.230 nan 0.000 0.789 553 S N -0.252 115.472 115.700 0.039 0.000 2.730 553 S HA 0.692 5.162 4.470 -0.001 0.000 0.284 553 S C -0.676 174.035 174.600 0.186 0.000 1.153 553 S CA -0.060 58.252 58.200 0.187 0.000 0.995 553 S CB 1.740 65.145 63.200 0.342 0.000 1.058 553 S HN 0.839 nan 8.310 nan 0.000 0.552 554 Q N -0.119 119.814 119.800 0.223 0.000 2.567 554 Q HA 0.295 4.635 4.340 -0.001 0.000 0.233 554 Q C -0.700 175.403 176.000 0.171 0.000 0.833 554 Q CA -0.571 55.365 55.803 0.222 0.000 0.844 554 Q CB 0.976 29.905 28.738 0.319 0.000 1.423 554 Q HN 0.681 nan 8.270 nan 0.000 0.442 555 K N 0.594 121.097 120.400 0.172 0.000 2.356 555 K HA 0.264 4.584 4.320 -0.001 0.000 0.195 555 K C 0.071 176.762 176.600 0.151 0.000 1.037 555 K CA 0.433 56.814 56.287 0.156 0.000 1.014 555 K CB 1.029 33.648 32.500 0.198 0.000 0.815 555 K HN 0.480 nan 8.250 nan 0.000 0.507 556 A N 2.889 125.813 122.820 0.173 0.000 2.322 556 A HA 0.382 4.702 4.320 -0.001 0.000 0.327 556 A C -0.848 176.811 177.584 0.126 0.000 1.394 556 A CA -0.557 51.589 52.037 0.182 0.000 0.921 556 A CB -0.042 19.127 19.000 0.282 0.000 1.153 556 A HN 0.266 nan 8.150 nan 0.000 0.523 557 D N 0.243 120.679 120.400 0.061 0.000 2.596 557 D HA 0.518 5.158 4.640 -0.001 0.000 0.262 557 D C -0.053 176.225 176.300 -0.036 0.000 1.210 557 D CA -0.042 53.970 54.000 0.021 0.000 0.873 557 D CB 1.293 42.086 40.800 -0.011 0.000 1.408 557 D HN 0.270 nan 8.370 nan 0.000 0.441 558 A N -0.280 122.544 122.820 0.006 0.000 2.503 558 A HA 0.614 4.933 4.320 -0.001 0.000 0.263 558 A C 0.410 177.926 177.584 -0.113 0.000 1.360 558 A CA 0.106 52.149 52.037 0.010 0.000 0.969 558 A CB -1.195 17.875 19.000 0.115 0.000 1.000 558 A HN 0.718 nan 8.150 nan 0.000 0.530 559 A N -0.344 122.271 122.820 -0.341 0.000 2.312 559 A HA 0.644 4.964 4.320 -0.001 0.000 0.326 559 A C -0.453 177.057 177.584 -0.124 0.000 1.172 559 A CA -0.574 51.246 52.037 -0.361 0.000 0.821 559 A CB 0.305 18.870 19.000 -0.726 0.000 1.166 559 A HN 0.552 nan 8.150 nan 0.000 0.493 560 F N 2.006 121.863 119.950 -0.154 0.000 2.429 560 F HA 0.618 5.145 4.527 -0.001 0.000 0.348 560 F C 0.566 176.320 175.800 -0.076 0.000 1.109 560 F CA 0.371 58.310 58.000 -0.102 0.000 1.232 560 F CB 0.554 39.506 39.000 -0.080 0.000 1.157 560 F HN 0.634 nan 8.300 nan 0.000 0.564 561 R N 5.258 125.104 120.500 -1.090 0.000 2.680 561 R HA 0.504 4.844 4.340 -0.001 0.000 0.269 561 R C -1.795 174.010 176.300 -0.825 0.000 1.026 561 R CA -0.948 54.706 56.100 -0.744 0.000 0.889 561 R CB 1.847 31.954 30.300 -0.321 0.000 1.241 561 R HN 0.694 nan 8.270 nan 0.000 0.463 562 L N 3.871 124.836 121.223 -0.429 0.000 2.457 562 L HA 0.358 4.698 4.340 -0.001 0.000 0.252 562 L C -0.699 176.198 176.870 0.045 0.000 1.132 562 L CA -0.660 54.031 54.840 -0.249 0.000 0.938 562 L CB 0.550 42.571 42.059 -0.063 0.000 1.246 562 L HN 0.689 nan 8.230 nan 0.000 0.476 563 N N -0.762 117.912 118.700 -0.044 0.000 3.124 563 N HA 0.213 4.953 4.740 -0.001 0.000 0.350 563 N C 0.471 175.701 175.510 -0.468 0.000 1.411 563 N CA -0.771 52.218 53.050 -0.102 0.000 0.729 563 N CB 0.159 38.641 38.487 -0.008 0.000 1.379 563 N HN 0.233 nan 8.380 nan 0.000 0.599 564 W N 0.210 120.944 121.300 -0.943 0.000 2.381 564 W HA 0.230 4.889 4.660 -0.001 0.000 0.301 564 W C 2.108 178.536 176.519 -0.151 0.000 1.205 564 W CA 2.290 59.178 57.345 -0.761 0.000 1.285 564 W CB -1.018 28.105 29.460 -0.562 0.000 1.133 564 W HN 0.638 nan 8.180 nan 0.000 0.521 565 A N -0.314 122.489 122.820 -0.029 0.000 2.024 565 A HA -0.211 4.109 4.320 -0.001 0.000 0.220 565 A C 1.917 179.416 177.584 -0.142 0.000 1.164 565 A CA 2.419 54.382 52.037 -0.124 0.000 0.643 565 A CB -1.225 17.781 19.000 0.010 0.000 0.806 565 A HN 0.313 nan 8.150 nan 0.000 0.451 566 T N -1.338 113.159 114.554 -0.097 0.000 2.643 566 T HA -0.199 4.151 4.350 -0.001 0.000 0.264 566 T C 1.801 176.536 174.700 0.057 0.000 1.045 566 T CA 1.728 63.757 62.100 -0.118 0.000 1.155 566 T CB -0.527 68.158 68.868 -0.306 0.000 0.863 566 T HN 0.686 nan 8.240 nan 0.000 0.420 567 Y N 2.044 122.450 120.300 0.175 0.000 2.128 567 Y HA -0.114 4.436 4.550 -0.001 0.000 0.284 567 Y C 2.012 177.878 175.900 -0.056 0.000 1.154 567 Y CA 1.132 59.334 58.100 0.170 0.000 1.149 567 Y CB -0.725 37.797 38.460 0.104 0.000 0.976 567 Y HN 0.123 nan 8.280 nan 0.000 0.505 568 L N -0.080 120.845 121.223 -0.497 0.000 2.127 568 L HA -0.242 4.097 4.340 -0.001 0.000 0.211 568 L C 2.658 179.282 176.870 -0.410 0.000 1.089 568 L CA 1.336 55.792 54.840 -0.640 0.000 0.757 568 L CB -0.829 40.868 42.059 -0.603 0.000 0.899 568 L HN 0.491 nan 8.230 nan 0.000 0.434 569 A N -1.601 121.048 122.820 -0.285 0.000 1.924 569 A HA -0.097 4.222 4.320 -0.001 0.000 0.211 569 A C 2.388 179.870 177.584 -0.169 0.000 1.198 569 A CA 1.027 52.935 52.037 -0.216 0.000 0.657 569 A CB -0.338 18.532 19.000 -0.216 0.000 0.852 569 A HN 0.265 nan 8.150 nan 0.000 0.454 570 S N -0.995 114.623 115.700 -0.136 0.000 2.474 570 S HA -0.062 4.408 4.470 -0.001 0.000 0.235 570 S C 1.313 175.883 174.600 -0.050 0.000 0.997 570 S CA 2.018 60.182 58.200 -0.061 0.000 0.949 570 S CB -0.153 63.071 63.200 0.041 0.000 0.766 570 S HN 0.546 nan 8.310 nan 0.000 0.517 571 T N -0.236 114.221 114.554 -0.161 0.000 3.029 571 T HA 0.247 4.597 4.350 -0.001 0.000 0.256 571 T C 0.865 175.457 174.700 -0.181 0.000 0.914 571 T CA -0.257 61.758 62.100 -0.141 0.000 0.880 571 T CB 0.289 69.085 68.868 -0.119 0.000 1.246 571 T HN 0.208 nan 8.240 nan 0.000 0.523 572 E N 1.618 121.647 120.200 -0.285 0.000 2.498 572 E HA 0.230 4.579 4.350 -0.001 0.000 0.203 572 E C -0.010 176.539 176.600 -0.086 0.000 1.013 572 E CA -0.082 56.207 56.400 -0.185 0.000 0.927 572 E CB 0.169 29.711 29.700 -0.262 0.000 1.012 572 E HN 0.270 nan 8.360 nan 0.000 0.482 573 N N 1.063 119.720 118.700 -0.071 0.000 2.727 573 N HA -0.196 4.544 4.740 -0.001 0.000 0.249 573 N C -0.544 174.995 175.510 0.049 0.000 1.048 573 N CA 0.752 53.827 53.050 0.041 0.000 0.714 573 N CB -1.417 37.162 38.487 0.154 0.000 0.959 573 N HN 0.306 nan 8.380 nan 0.000 0.544 574 I N 0.819 121.347 120.570 -0.071 0.000 2.412 574 I HA 0.355 4.525 4.170 -0.001 0.000 0.296 574 I C 0.936 176.979 176.117 -0.123 0.000 0.987 574 I CA -0.719 60.539 61.300 -0.071 0.000 1.180 574 I CB 1.563 39.534 38.000 -0.049 0.000 1.340 574 I HN -0.073 nan 8.210 nan 0.000 0.455 575 I N 6.326 126.832 120.570 -0.108 0.000 2.301 575 I HA 0.161 4.330 4.170 -0.001 0.000 0.292 575 I C -0.399 175.668 176.117 -0.082 0.000 1.046 575 I CA -0.447 60.748 61.300 -0.175 0.000 1.282 575 I CB 1.028 38.918 38.000 -0.183 0.000 1.409 575 I HN 0.214 nan 8.210 nan 0.000 0.484 576 V N 6.944 126.804 119.914 -0.089 0.000 2.364 576 V HA 0.597 4.716 4.120 -0.001 0.000 0.272 576 V C 0.415 176.516 176.094 0.011 0.000 1.036 576 V CA -0.351 61.956 62.300 0.011 0.000 0.880 576 V CB 1.021 32.851 31.823 0.011 0.000 0.991 576 V HN 0.814 nan 8.190 nan 0.000 0.460 577 A N 4.144 127.002 122.820 0.063 0.000 2.401 577 A HA 0.914 5.234 4.320 -0.001 0.000 0.310 577 A C -0.279 177.447 177.584 0.237 0.000 1.075 577 A CA -0.524 51.546 52.037 0.054 0.000 0.746 577 A CB 1.865 20.715 19.000 -0.249 0.000 1.277 577 A HN 0.668 nan 8.150 nan 0.000 0.425 578 S N 0.143 116.030 115.700 0.312 0.000 2.542 578 S HA 0.773 5.243 4.470 -0.001 0.000 0.293 578 S C -1.385 173.564 174.600 0.582 0.000 1.089 578 S CA -0.306 58.129 58.200 0.391 0.000 0.961 578 S CB 1.308 64.681 63.200 0.288 0.000 1.062 578 S HN 0.767 nan 8.310 nan 0.000 0.483 579 F N 2.163 122.344 119.950 0.385 0.000 2.579 579 F HA 0.375 4.902 4.527 -0.001 0.000 0.325 579 F C -1.366 174.632 175.800 0.331 0.000 1.162 579 F CA -0.872 57.379 58.000 0.417 0.000 0.946 579 F CB 1.139 40.359 39.000 0.367 0.000 1.211 579 F HN 0.395 nan 8.300 nan 0.000 0.447 580 D N 5.148 125.416 120.400 -0.220 0.000 2.402 580 D HA 0.308 4.948 4.640 -0.001 0.000 0.235 580 D C 0.508 176.546 176.300 -0.438 0.000 1.226 580 D CA 0.313 54.218 54.000 -0.159 0.000 0.918 580 D CB 1.304 42.135 40.800 0.052 0.000 1.043 580 D HN 0.745 nan 8.370 nan 0.000 0.506 581 G N 1.559 110.175 108.800 -0.306 0.000 2.695 581 G HA2 0.276 4.235 3.960 -0.001 0.000 0.213 581 G HA3 0.276 4.235 3.960 -0.001 0.000 0.213 581 G C 0.181 175.135 174.900 0.090 0.000 1.406 581 G CA -0.727 44.258 45.100 -0.191 0.000 1.049 581 G HN 0.291 nan 8.290 nan 0.000 0.573 582 R N -0.657 119.881 120.500 0.062 0.000 2.623 582 R HA 0.373 4.712 4.340 -0.001 0.000 0.271 582 R C 1.059 177.412 176.300 0.089 0.000 1.043 582 R CA 1.339 57.524 56.100 0.141 0.000 1.083 582 R CB 0.355 30.710 30.300 0.092 0.000 0.974 582 R HN 1.121 nan 8.270 nan 0.000 0.436 583 G N 1.225 110.075 108.800 0.083 0.000 2.149 583 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.235 583 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.235 583 G C -0.054 174.851 174.900 0.010 0.000 1.018 583 G CA 0.334 45.465 45.100 0.051 0.000 0.728 583 G HN 0.721 nan 8.290 nan 0.000 0.508 584 S N -1.478 114.232 115.700 0.017 0.000 2.823 584 S HA 0.924 5.394 4.470 -0.001 0.000 0.316 584 S C 1.591 176.142 174.600 -0.082 0.000 1.116 584 S CA 0.294 58.487 58.200 -0.012 0.000 0.911 584 S CB 1.431 64.658 63.200 0.044 0.000 1.276 584 S HN 2.032 nan 8.310 nan 0.000 0.565 585 G N 0.523 109.284 108.800 -0.066 0.000 2.512 585 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.936 585 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.936 585 G C -0.654 173.987 174.900 -0.432 0.000 1.344 585 G CA 1.204 46.240 45.100 -0.108 0.000 0.883 585 G HN 0.974 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 0.571 5.121 4.550 -0.001 0.000 0.359 586 Y C 0.914 176.764 175.900 -0.084 0.000 1.060 586 Y CA -0.404 57.655 58.100 -0.068 0.000 1.161 586 Y CB 0.816 39.264 38.460 -0.021 0.000 1.225 586 Y HN 0.397 nan 8.280 nan 0.000 0.621 587 Q N 0.839 120.591 119.800 -0.080 0.000 2.088 587 Q HA 0.466 4.805 4.340 -0.001 0.000 0.270 587 Q C 0.310 176.080 176.000 -0.383 0.000 0.854 587 Q CA -0.238 55.502 55.803 -0.105 0.000 1.104 587 Q CB 1.620 30.316 28.738 -0.069 0.000 1.251 587 Q HN 0.676 nan 8.270 nan 0.000 0.436 588 G N 0.711 109.139 108.800 -0.621 0.000 2.692 588 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.686 588 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.686 588 G C -0.389 174.119 174.900 -0.654 0.000 1.243 588 G CA -0.602 43.886 45.100 -1.020 0.000 0.782 588 G HN 0.183 nan 8.290 nan 0.000 0.625 589 D N 0.262 120.243 120.400 -0.698 0.000 2.310 589 D HA -0.054 4.586 4.640 -0.001 0.000 0.212 589 D C 2.117 178.117 176.300 -0.500 0.000 0.965 589 D CA 1.101 54.648 54.000 -0.756 0.000 0.879 589 D CB 0.109 40.256 40.800 -1.089 0.000 0.921 589 D HN 0.606 nan 8.370 nan 0.000 0.510 590 K N 0.725 120.894 120.400 -0.386 0.000 2.057 590 K HA -0.094 4.226 4.320 -0.001 0.000 0.207 590 K C 2.046 178.572 176.600 -0.123 0.000 1.049 590 K CA 0.783 56.945 56.287 -0.208 0.000 0.931 590 K CB 0.015 32.417 32.500 -0.163 0.000 0.714 590 K HN 0.104 nan 8.250 nan 0.000 0.440 591 I N 0.367 120.849 120.570 -0.148 0.000 2.333 591 I HA -0.215 3.955 4.170 -0.001 0.000 0.246 591 I C 2.616 178.722 176.117 -0.019 0.000 1.106 591 I CA 0.732 62.011 61.300 -0.035 0.000 1.411 591 I CB -0.080 37.893 38.000 -0.045 0.000 1.082 591 I HN 0.298 nan 8.210 nan 0.000 0.420 592 M N 0.184 119.720 119.600 -0.107 0.000 2.098 592 M HA -0.209 4.271 4.480 -0.001 0.000 0.262 592 M C 2.157 178.516 176.300 0.098 0.000 1.072 592 M CA 1.886 57.164 55.300 -0.036 0.000 1.133 592 M CB -0.249 32.269 32.600 -0.136 0.000 1.344 592 M HN 0.194 nan 8.290 nan 0.000 0.414 593 H N 0.185 119.108 119.070 -0.244 0.000 2.563 593 H HA 0.165 4.721 4.556 -0.001 0.000 0.272 593 H C 1.854 177.163 175.328 -0.032 0.000 1.005 593 H CA 0.792 56.701 56.048 -0.230 0.000 1.171 593 H CB -0.658 28.893 29.762 -0.351 0.000 1.351 593 H HN 0.507 nan 8.280 nan 0.000 0.602 594 A N 0.336 123.215 122.820 0.099 0.000 2.076 594 A HA -0.128 4.191 4.320 -0.001 0.000 0.220 594 A C 2.236 179.869 177.584 0.081 0.000 1.160 594 A CA 1.165 53.250 52.037 0.079 0.000 0.653 594 A CB -0.537 18.509 19.000 0.077 0.000 0.801 594 A HN 0.421 nan 8.150 nan 0.000 0.455 595 I N -0.940 119.692 120.570 0.103 0.000 3.427 595 I HA -0.038 4.132 4.170 -0.001 0.000 0.288 595 I C 0.616 176.783 176.117 0.084 0.000 1.249 595 I CA -0.295 61.048 61.300 0.072 0.000 1.421 595 I CB -0.286 37.739 38.000 0.041 0.000 1.086 595 I HN 0.291 nan 8.210 nan 0.000 0.448 596 N N 2.609 121.412 118.700 0.171 0.000 2.052 596 N HA -0.222 4.518 4.740 -0.001 0.000 0.283 596 N C 0.519 176.093 175.510 0.107 0.000 1.272 596 N CA 0.990 54.156 53.050 0.193 0.000 0.810 596 N CB 0.298 38.884 38.487 0.164 0.000 1.042 596 N HN 0.037 nan 8.380 nan 0.000 0.483 597 K N -0.286 120.163 120.400 0.083 0.000 3.426 597 K HA -0.257 4.063 4.320 -0.001 0.000 0.315 597 K C -0.630 176.047 176.600 0.129 0.000 1.293 597 K CA 1.567 57.916 56.287 0.104 0.000 0.955 597 K CB -1.394 31.204 32.500 0.162 0.000 1.238 597 K HN 0.901 nan 8.250 nan 0.000 0.441 598 R N -0.587 119.907 120.500 -0.011 0.000 2.797 598 R HA 0.384 4.724 4.340 -0.001 0.000 0.230 598 R C -0.079 176.170 176.300 -0.085 0.000 1.591 598 R CA -0.544 55.484 56.100 -0.119 0.000 1.501 598 R CB -0.285 29.850 30.300 -0.274 0.000 1.524 598 R HN -0.067 nan 8.270 nan 0.000 0.711 599 L N 0.973 122.130 121.223 -0.109 0.000 2.476 599 L HA 0.471 4.811 4.340 -0.001 0.000 0.264 599 L C 1.295 178.285 176.870 0.199 0.000 1.224 599 L CA 0.622 55.459 54.840 -0.005 0.000 0.821 599 L CB 0.473 42.378 42.059 -0.256 0.000 1.101 599 L HN 0.874 nan 8.230 nan 0.000 0.488 600 G N 0.521 109.546 108.800 0.375 0.000 2.160 600 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.251 600 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.251 600 G C 0.319 175.267 174.900 0.080 0.000 1.008 600 G CA 0.495 45.769 45.100 0.289 0.000 0.724 600 G HN 0.711 nan 8.290 nan 0.000 0.514 601 T N -0.484 114.104 114.554 0.057 0.000 2.233 601 T HA 0.354 4.703 4.350 -0.001 0.000 0.172 601 T C 2.321 177.025 174.700 0.007 0.000 0.740 601 T CA 0.283 62.384 62.100 0.001 0.000 1.172 601 T CB -0.195 68.653 68.868 -0.034 0.000 2.941 601 T HN 0.080 nan 8.240 nan 0.000 0.398 602 L N 2.114 123.342 121.223 0.010 0.000 2.043 602 L HA -0.134 4.205 4.340 -0.001 0.000 0.212 602 L C 2.891 179.778 176.870 0.028 0.000 1.075 602 L CA 1.719 56.567 54.840 0.013 0.000 0.752 602 L CB -0.880 41.191 42.059 0.020 0.000 0.891 602 L HN 0.587 nan 8.230 nan 0.000 0.432 603 E N 0.736 120.971 120.200 0.058 0.000 2.204 603 E HA -0.145 4.204 4.350 -0.001 0.000 0.195 603 E C 2.040 178.691 176.600 0.085 0.000 0.990 603 E CA 1.499 57.952 56.400 0.088 0.000 0.821 603 E CB -0.543 29.233 29.700 0.127 0.000 0.750 603 E HN 0.398 nan 8.360 nan 0.000 0.477 604 V N 1.694 121.634 119.914 0.043 0.000 2.273 604 V HA -0.207 3.913 4.120 -0.001 0.000 0.242 604 V C 2.392 178.479 176.094 -0.012 0.000 1.035 604 V CA 1.987 64.280 62.300 -0.012 0.000 1.013 604 V CB -0.718 31.058 31.823 -0.078 0.000 0.652 604 V HN 0.181 nan 8.190 nan 0.000 0.452 605 E N 0.526 120.716 120.200 -0.017 0.000 2.068 605 E HA -0.312 4.037 4.350 -0.001 0.000 0.207 605 E C 1.922 178.504 176.600 -0.030 0.000 1.032 605 E CA 1.936 58.321 56.400 -0.026 0.000 0.839 605 E CB -0.336 29.347 29.700 -0.028 0.000 0.758 605 E HN 0.587 nan 8.360 nan 0.000 0.457 606 D N 0.043 120.434 120.400 -0.015 0.000 2.221 606 D HA -0.173 4.467 4.640 -0.001 0.000 0.204 606 D C 1.900 178.201 176.300 0.002 0.000 0.982 606 D CA 0.963 54.953 54.000 -0.017 0.000 0.857 606 D CB -0.213 40.616 40.800 0.049 0.000 0.934 606 D HN 0.073 nan 8.370 nan 0.000 0.475 607 Q N -0.084 119.762 119.800 0.077 0.000 2.167 607 Q HA 0.034 4.373 4.340 -0.001 0.000 0.202 607 Q C 2.041 178.069 176.000 0.048 0.000 0.970 607 Q CA 0.730 56.602 55.803 0.115 0.000 0.855 607 Q CB -0.037 28.775 28.738 0.123 0.000 0.911 607 Q HN 0.349 nan 8.270 nan 0.000 0.438 608 I N -0.207 120.382 120.570 0.031 0.000 2.333 608 I HA -0.171 3.998 4.170 -0.001 0.000 0.246 608 I C 2.128 178.195 176.117 -0.083 0.000 1.106 608 I CA 0.668 62.024 61.300 0.093 0.000 1.411 608 I CB -0.233 37.816 38.000 0.082 0.000 1.082 608 I HN 0.164 nan 8.210 nan 0.000 0.420 609 E N 1.381 121.477 120.200 -0.174 0.000 2.070 609 E HA -0.248 4.101 4.350 -0.001 0.000 0.197 609 E C 2.296 178.600 176.600 -0.493 0.000 1.004 609 E CA 1.766 57.999 56.400 -0.278 0.000 0.805 609 E CB -0.323 29.216 29.700 -0.269 0.000 0.744 609 E HN 0.453 nan 8.360 nan 0.000 0.451 610 A N 0.954 123.325 122.820 -0.749 0.000 1.948 610 A HA -0.183 4.136 4.320 -0.001 0.000 0.220 610 A C 2.399 179.251 177.584 -1.220 0.000 1.177 610 A CA 2.512 53.768 52.037 -1.302 0.000 0.636 610 A CB -0.651 17.335 19.000 -1.689 0.000 0.815 610 A HN 0.311 nan 8.150 nan 0.000 0.449 611 A N -0.462 122.042 122.820 -0.526 0.000 1.873 611 A HA -0.127 4.193 4.320 -0.001 0.000 0.215 611 A C 2.223 179.614 177.584 -0.320 0.000 1.186 611 A CA 1.319 53.207 52.037 -0.248 0.000 0.616 611 A CB -0.456 18.475 19.000 -0.114 0.000 0.823 611 A HN 0.441 nan 8.150 nan 0.000 0.442 612 R N -0.371 119.935 120.500 -0.323 0.000 2.115 612 R HA -0.183 4.156 4.340 -0.001 0.000 0.239 612 R C 2.244 178.367 176.300 -0.295 0.000 1.133 612 R CA 1.741 57.682 56.100 -0.264 0.000 0.935 612 R CB -0.940 29.222 30.300 -0.229 0.000 0.853 612 R HN 0.578 nan 8.270 nan 0.000 0.433 613 Q N 0.126 119.672 119.800 -0.424 0.000 2.062 613 Q HA -0.133 4.207 4.340 -0.001 0.000 0.209 613 Q C 2.283 178.098 176.000 -0.309 0.000 0.996 613 Q CA 1.641 57.197 55.803 -0.412 0.000 0.859 613 Q CB -0.738 27.649 28.738 -0.584 0.000 0.920 613 Q HN 0.469 nan 8.270 nan 0.000 0.415 614 F N 0.411 120.172 119.950 -0.315 0.000 2.161 614 F HA -0.226 4.301 4.527 -0.001 0.000 0.300 614 F C 2.339 177.921 175.800 -0.362 0.000 1.089 614 F CA 0.270 58.073 58.000 -0.330 0.000 1.282 614 F CB -0.280 38.567 39.000 -0.254 0.000 1.010 614 F HN 0.040 nan 8.300 nan 0.000 0.485 615 L N 0.217 121.371 121.223 -0.115 0.000 1.994 615 L HA -0.232 4.107 4.340 -0.001 0.000 0.208 615 L C 2.249 179.001 176.870 -0.197 0.000 1.071 615 L CA 1.517 56.257 54.840 -0.167 0.000 0.745 615 L CB -0.646 41.323 42.059 -0.151 0.000 0.892 615 L HN 0.033 nan 8.230 nan 0.000 0.431 616 K N -0.274 120.021 120.400 -0.175 0.000 2.442 616 K HA -0.141 4.179 4.320 -0.001 0.000 0.199 616 K C 1.762 178.263 176.600 -0.164 0.000 1.044 616 K CA 1.073 57.271 56.287 -0.149 0.000 0.941 616 K CB -0.136 32.285 32.500 -0.131 0.000 0.759 616 K HN 0.352 nan 8.250 nan 0.000 0.472 617 M N -0.326 119.126 119.600 -0.246 0.000 2.628 617 M HA 0.003 4.483 4.480 -0.001 0.000 0.232 617 M C 1.192 177.218 176.300 -0.457 0.000 1.128 617 M CA 0.500 55.615 55.300 -0.308 0.000 1.040 617 M CB 0.191 32.560 32.600 -0.385 0.000 1.608 617 M HN 0.454 nan 8.290 nan 0.000 0.507 618 G N 1.513 110.107 108.800 -0.343 0.000 4.269 618 G HA2 -0.371 3.589 3.960 -0.001 0.000 0.290 618 G HA3 -0.371 3.589 3.960 -0.001 0.000 0.290 618 G C 0.389 175.159 174.900 -0.217 0.000 1.570 618 G CA 0.247 45.223 45.100 -0.206 0.000 1.072 618 G HN 0.588 nan 8.290 nan 0.000 0.681 619 F N 1.958 121.977 119.950 0.114 0.000 2.556 619 F HA 0.413 4.940 4.527 -0.001 0.000 0.288 619 F C 0.520 176.454 175.800 0.223 0.000 1.207 619 F CA 0.334 58.458 58.000 0.206 0.000 1.507 619 F CB -0.871 38.356 39.000 0.378 0.000 1.125 619 F HN 0.259 nan 8.300 nan 0.000 0.635 620 V N 1.189 121.096 119.914 -0.011 0.000 2.409 620 V HA 0.116 4.236 4.120 -0.001 0.000 0.291 620 V C -0.160 175.919 176.094 -0.025 0.000 1.020 620 V CA -1.081 61.227 62.300 0.012 0.000 0.848 620 V CB 1.508 33.278 31.823 -0.088 0.000 0.990 620 V HN 0.089 nan 8.190 nan 0.000 0.430 621 D N 3.649 124.035 120.400 -0.023 0.000 2.398 621 D HA 0.003 4.643 4.640 -0.001 0.000 0.250 621 D C 1.596 177.853 176.300 -0.071 0.000 1.287 621 D CA 0.540 54.502 54.000 -0.062 0.000 0.992 621 D CB 1.046 41.788 40.800 -0.097 0.000 1.071 621 D HN 0.717 nan 8.370 nan 0.000 0.514 622 S N 3.655 119.313 115.700 -0.070 0.000 2.441 622 S HA -0.202 4.267 4.470 -0.001 0.000 0.242 622 S C 1.453 176.020 174.600 -0.055 0.000 1.018 622 S CA 0.775 58.929 58.200 -0.077 0.000 0.988 622 S CB -0.027 63.125 63.200 -0.081 0.000 0.778 622 S HN 0.279 nan 8.310 nan 0.000 0.498 623 K N 0.747 121.123 120.400 -0.040 0.000 2.487 623 K HA 0.236 4.555 4.320 -0.001 0.000 0.192 623 K C 0.255 176.873 176.600 0.030 0.000 1.027 623 K CA 0.258 56.539 56.287 -0.010 0.000 1.054 623 K CB -0.020 32.472 32.500 -0.013 0.000 0.824 623 K HN 0.417 nan 8.250 nan 0.000 0.510 624 R N 0.148 120.652 120.500 0.006 0.000 2.754 624 R HA 0.230 4.570 4.340 -0.001 0.000 0.255 624 R C -1.459 174.913 176.300 0.120 0.000 1.723 624 R CA -0.126 56.021 56.100 0.077 0.000 1.596 624 R CB 1.152 31.320 30.300 -0.219 0.000 1.424 624 R HN -0.225 nan 8.270 nan 0.000 0.662 625 V N 1.184 121.244 119.914 0.244 0.000 2.448 625 V HA 0.866 4.985 4.120 -0.001 0.000 0.295 625 V C -0.087 176.245 176.094 0.397 0.000 1.025 625 V CA -0.671 61.754 62.300 0.209 0.000 0.859 625 V CB 1.653 33.394 31.823 -0.138 0.000 0.988 625 V HN 0.593 nan 8.190 nan 0.000 0.431 626 A N 4.991 128.139 122.820 0.546 0.000 2.437 626 A HA 1.002 5.322 4.320 -0.001 0.000 0.292 626 A C -1.096 176.854 177.584 0.610 0.000 1.173 626 A CA -0.764 51.574 52.037 0.502 0.000 0.785 626 A CB 1.901 21.013 19.000 0.187 0.000 1.351 626 A HN 0.904 nan 8.150 nan 0.000 0.431 627 I N 0.518 121.366 120.570 0.463 0.000 2.710 627 I HA 0.562 4.731 4.170 -0.001 0.000 0.290 627 I C -2.027 174.330 176.117 0.400 0.000 1.318 627 I CA -0.505 61.018 61.300 0.372 0.000 1.045 627 I CB 1.333 39.328 38.000 -0.008 0.000 1.307 627 I HN 0.937 nan 8.210 nan 0.000 0.424 628 W N 7.365 128.796 121.300 0.217 0.000 3.031 628 W HA 0.917 5.577 4.660 -0.001 0.000 0.337 628 W C -1.271 175.389 176.519 0.235 0.000 1.187 628 W CA -1.384 56.092 57.345 0.218 0.000 1.166 628 W CB 1.289 30.925 29.460 0.293 0.000 1.437 628 W HN 0.763 nan 8.180 nan 0.000 0.551 629 G N 0.977 109.728 108.800 -0.082 0.000 2.698 629 G HA2 0.477 4.436 3.960 -0.001 0.000 0.293 629 G HA3 0.477 4.436 3.960 -0.001 0.000 0.293 629 G C -2.669 172.162 174.900 -0.116 0.000 1.437 629 G CA -0.691 44.225 45.100 -0.307 0.000 0.852 629 G HN 0.608 nan 8.290 nan 0.000 0.499 630 W N 1.294 122.446 121.300 -0.247 0.000 2.627 630 W HA 0.594 5.253 4.660 -0.001 0.000 0.339 630 W C 0.937 177.488 176.519 0.054 0.000 1.058 630 W CA 0.368 57.660 57.345 -0.088 0.000 1.223 630 W CB 1.947 31.348 29.460 -0.099 0.000 1.389 630 W HN 1.181 nan 8.180 nan 0.000 0.541 631 S N 2.586 118.555 115.700 0.448 0.000 4.138 631 S HA -0.439 4.031 4.470 -0.001 0.000 0.574 631 S C 1.243 175.960 174.600 0.195 0.000 1.895 631 S CA 2.050 60.514 58.200 0.439 0.000 4.239 631 S CB -1.921 61.693 63.200 0.690 0.000 0.264 631 S HN 0.747 nan 8.310 nan 0.000 0.489 632 Y N 2.189 122.487 120.300 -0.003 0.000 2.207 632 Y HA 0.037 4.587 4.550 -0.001 0.000 0.287 632 Y C 2.447 178.261 175.900 -0.143 0.000 1.156 632 Y CA 2.489 60.464 58.100 -0.208 0.000 1.182 632 Y CB -1.026 37.041 38.460 -0.655 0.000 0.979 632 Y HN 0.547 nan 8.280 nan 0.000 0.521 633 G N -0.844 107.985 108.800 0.048 0.000 2.432 633 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.219 633 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.219 633 G C 1.837 176.764 174.900 0.046 0.000 1.135 633 G CA 0.700 45.855 45.100 0.093 0.000 0.767 633 G HN 0.570 nan 8.290 nan 0.000 0.550 634 G N -0.320 108.510 108.800 0.051 0.000 2.422 634 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.218 634 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.218 634 G C 1.544 176.461 174.900 0.030 0.000 1.140 634 G CA 1.042 46.156 45.100 0.024 0.000 0.775 634 G HN 0.422 nan 8.290 nan 0.000 0.545 635 Y N 1.468 121.665 120.300 -0.172 0.000 2.109 635 Y HA -0.118 4.432 4.550 -0.001 0.000 0.285 635 Y C 2.779 178.577 175.900 -0.170 0.000 1.131 635 Y CA 1.566 59.515 58.100 -0.252 0.000 1.121 635 Y CB -0.590 37.566 38.460 -0.507 0.000 0.987 635 Y HN 0.021 nan 8.280 nan 0.000 0.495 636 V N -0.098 119.672 119.914 -0.240 0.000 2.287 636 V HA -0.366 3.753 4.120 -0.001 0.000 0.248 636 V C 2.344 178.309 176.094 -0.214 0.000 1.053 636 V CA 2.497 64.644 62.300 -0.256 0.000 1.027 636 V CB -1.378 30.434 31.823 -0.017 0.000 0.646 636 V HN 0.505 nan 8.190 nan 0.000 0.447 637 T N 0.004 114.491 114.554 -0.111 0.000 2.635 637 T HA -0.236 4.114 4.350 -0.001 0.000 0.267 637 T C 2.133 176.758 174.700 -0.127 0.000 1.040 637 T CA 2.156 64.202 62.100 -0.090 0.000 1.156 637 T CB -0.345 68.549 68.868 0.044 0.000 0.863 637 T HN 0.533 nan 8.240 nan 0.000 0.430 638 S N 0.870 116.532 115.700 -0.064 0.000 2.368 638 S HA -0.003 4.467 4.470 -0.001 0.000 0.225 638 S C 2.129 176.644 174.600 -0.142 0.000 1.030 638 S CA 0.942 59.123 58.200 -0.033 0.000 0.999 638 S CB -0.281 62.959 63.200 0.066 0.000 0.844 638 S HN 0.344 nan 8.310 nan 0.000 0.459 639 M N 0.760 120.183 119.600 -0.296 0.000 2.229 639 M HA -0.024 4.456 4.480 -0.001 0.000 0.264 639 M C 2.138 178.273 176.300 -0.276 0.000 1.063 639 M CA 1.024 56.132 55.300 -0.320 0.000 1.114 639 M CB -1.072 31.215 32.600 -0.522 0.000 1.387 639 M HN 0.196 nan 8.290 nan 0.000 0.420 640 V N 0.544 120.273 119.914 -0.308 0.000 2.323 640 V HA -0.220 3.899 4.120 -0.001 0.000 0.244 640 V C 2.448 178.313 176.094 -0.382 0.000 1.041 640 V CA 1.271 63.372 62.300 -0.333 0.000 1.025 640 V CB -0.561 30.989 31.823 -0.456 0.000 0.656 640 V HN 0.398 nan 8.190 nan 0.000 0.451 641 L N 0.486 121.422 121.223 -0.478 0.000 2.131 641 L HA -0.074 4.265 4.340 -0.001 0.000 0.210 641 L C 2.228 178.578 176.870 -0.866 0.000 1.092 641 L CA 1.607 56.074 54.840 -0.623 0.000 0.759 641 L CB -0.765 40.849 42.059 -0.743 0.000 0.903 641 L HN 0.500 nan 8.230 nan 0.000 0.435 642 G N -1.395 106.916 108.800 -0.815 0.000 3.233 642 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.227 642 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.227 642 G C 1.400 176.181 174.900 -0.199 0.000 1.175 642 G CA 0.573 45.357 45.100 -0.526 0.000 0.781 642 G HN 0.446 nan 8.290 nan 0.000 0.542 643 S N -0.828 114.749 115.700 -0.205 0.000 2.528 643 S HA 0.307 4.777 4.470 -0.001 0.000 0.219 643 S C 1.845 176.398 174.600 -0.078 0.000 0.985 643 S CA 0.803 58.937 58.200 -0.111 0.000 0.914 643 S CB -0.015 63.124 63.200 -0.102 0.000 0.776 643 S HN 1.268 nan 8.310 nan 0.000 0.526 644 G N 1.983 110.723 108.800 -0.101 0.000 2.283 644 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.280 644 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.280 644 G C 0.810 175.696 174.900 -0.024 0.000 1.029 644 G CA 0.726 45.791 45.100 -0.057 0.000 0.840 644 G HN 1.223 nan 8.290 nan 0.000 0.505 645 S N -1.227 114.468 115.700 -0.008 0.000 2.515 645 S HA 0.319 4.789 4.470 -0.001 0.000 0.231 645 S C 2.479 177.091 174.600 0.021 0.000 0.987 645 S CA 1.341 59.551 58.200 0.016 0.000 0.936 645 S CB -0.061 63.170 63.200 0.052 0.000 0.766 645 S HN 2.355 nan 8.310 nan 0.000 0.528 646 G N 0.432 109.250 108.800 0.029 0.000 2.220 646 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.269 646 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.269 646 G C 0.801 175.710 174.900 0.015 0.000 0.977 646 G CA 0.458 45.571 45.100 0.020 0.000 0.634 646 G HN 0.751 nan 8.290 nan 0.000 0.539 647 V N -0.459 119.470 119.914 0.024 0.000 2.809 647 V HA 0.255 4.375 4.120 -0.001 0.000 0.256 647 V C 1.038 176.946 176.094 -0.311 0.000 1.080 647 V CA 1.384 63.599 62.300 -0.143 0.000 1.102 647 V CB -0.486 31.208 31.823 -0.215 0.000 0.705 647 V HN 0.310 nan 8.190 nan 0.000 0.475 648 F N -0.534 119.420 119.950 0.006 0.000 2.508 648 F HA 0.452 4.979 4.527 -0.001 0.000 0.325 648 F C 0.977 176.802 175.800 0.043 0.000 1.090 648 F CA -0.982 57.043 58.000 0.042 0.000 0.945 648 F CB 1.787 40.809 39.000 0.037 0.000 1.156 648 F HN -0.321 nan 8.300 nan 0.000 0.463 649 K N 1.151 121.694 120.400 0.239 0.000 2.128 649 K HA 0.145 4.464 4.320 -0.001 0.000 0.202 649 K C -0.071 176.628 176.600 0.164 0.000 1.050 649 K CA 0.986 57.373 56.287 0.166 0.000 0.966 649 K CB 0.284 32.882 32.500 0.163 0.000 0.759 649 K HN 0.800 nan 8.250 nan 0.000 0.454 650 c N -2.896 115.828 118.600 0.206 0.000 3.336 650 c HA 0.919 5.489 4.570 -0.001 0.000 0.339 650 c C -0.158 174.121 174.090 0.314 0.000 1.468 650 c CA -0.545 55.932 56.329 0.246 0.000 1.287 650 c CB 1.033 43.638 42.510 0.158 0.000 1.682 650 c HN 0.393 nan 8.230 nan 0.000 0.451 651 G N -0.351 108.707 108.800 0.430 0.000 2.547 651 G HA2 0.683 4.642 3.960 -0.001 0.000 0.291 651 G HA3 0.683 4.642 3.960 -0.001 0.000 0.291 651 G C -2.045 173.062 174.900 0.345 0.000 1.471 651 G CA -0.675 44.654 45.100 0.381 0.000 0.798 651 G HN 1.068 nan 8.290 nan 0.000 0.504 652 I N 0.489 121.240 120.570 0.302 0.000 2.478 652 I HA 0.625 4.795 4.170 -0.001 0.000 0.287 652 I C 0.105 176.343 176.117 0.202 0.000 1.042 652 I CA -1.019 60.355 61.300 0.123 0.000 1.067 652 I CB 2.184 40.247 38.000 0.104 0.000 1.233 652 I HN 0.692 nan 8.210 nan 0.000 0.431 653 A N 6.320 129.166 122.820 0.044 0.000 2.287 653 A HA 0.790 5.110 4.320 -0.001 0.000 0.317 653 A C -0.696 176.790 177.584 -0.163 0.000 1.220 653 A CA -0.531 51.521 52.037 0.026 0.000 0.835 653 A CB 1.239 20.320 19.000 0.135 0.000 1.180 653 A HN 0.460 nan 8.150 nan 0.000 0.500 654 V N 2.224 121.969 119.914 -0.280 0.000 2.384 654 V HA 0.565 4.685 4.120 -0.001 0.000 0.287 654 V C 0.857 176.541 176.094 -0.683 0.000 1.020 654 V CA 0.357 62.271 62.300 -0.644 0.000 0.850 654 V CB 0.728 31.811 31.823 -1.234 0.000 0.987 654 V HN 2.107 nan 8.190 nan 0.000 0.436 655 A N 5.881 128.283 122.820 -0.697 0.000 2.466 655 A HA -0.099 4.221 4.320 -0.001 0.000 0.295 655 A C -1.787 175.656 177.584 -0.235 0.000 1.465 655 A CA 0.448 51.991 52.037 -0.823 0.000 0.744 655 A CB -1.504 17.142 19.000 -0.589 0.000 1.098 655 A HN 0.607 nan 8.150 nan 0.000 0.402 656 P HA 0.508 nan 4.420 nan 0.000 0.278 656 P C -0.087 177.193 177.300 -0.034 0.000 1.266 656 P CA -0.375 62.706 63.100 -0.033 0.000 0.807 656 P CB 1.301 33.003 31.700 0.002 0.000 1.094 657 V N 1.173 120.978 119.914 -0.182 0.000 2.472 657 V HA 0.165 4.285 4.120 -0.001 0.000 0.290 657 V C 1.522 177.428 176.094 -0.312 0.000 1.037 657 V CA 0.302 62.363 62.300 -0.399 0.000 0.908 657 V CB 1.146 32.381 31.823 -0.981 0.000 0.985 657 V HN 0.768 nan 8.190 nan 0.000 0.454 658 S N 3.697 119.262 115.700 -0.225 0.000 2.506 658 S HA 0.255 4.725 4.470 -0.001 0.000 0.219 658 S C 0.456 174.904 174.600 -0.253 0.000 1.031 658 S CA -0.383 57.746 58.200 -0.119 0.000 0.911 658 S CB 0.229 63.431 63.200 0.004 0.000 0.812 658 S HN 0.859 nan 8.310 nan 0.000 0.497 659 R N -1.288 118.907 120.500 -0.508 0.000 2.633 659 R HA 0.293 4.633 4.340 -0.001 0.000 0.256 659 R C -1.144 174.791 176.300 -0.609 0.000 1.131 659 R CA -0.897 54.864 56.100 -0.565 0.000 0.994 659 R CB -0.346 29.634 30.300 -0.533 0.000 1.261 659 R HN 0.140 nan 8.270 nan 0.000 0.446 660 W N 1.597 122.816 121.300 -0.135 0.000 2.424 660 W HA -0.041 4.619 4.660 -0.001 0.000 0.264 660 W C 1.191 177.853 176.519 0.237 0.000 1.229 660 W CA 0.860 58.215 57.345 0.017 0.000 1.208 660 W CB 0.129 29.497 29.460 -0.154 0.000 1.127 660 W HN 0.741 nan 8.180 nan 0.000 0.588 661 E N -1.120 119.250 120.200 0.283 0.000 2.268 661 E HA -0.182 4.168 4.350 -0.001 0.000 0.195 661 E C 1.423 178.200 176.600 0.294 0.000 0.995 661 E CA 0.984 57.529 56.400 0.242 0.000 0.836 661 E CB -0.350 29.393 29.700 0.071 0.000 0.763 661 E HN 0.340 nan 8.360 nan 0.000 0.491 662 Y N -1.302 119.109 120.300 0.185 0.000 2.516 662 Y HA 0.031 4.581 4.550 -0.001 0.000 0.291 662 Y C 0.682 176.723 175.900 0.235 0.000 1.131 662 Y CA -0.260 57.932 58.100 0.153 0.000 1.281 662 Y CB -0.601 37.895 38.460 0.061 0.000 1.013 662 Y HN 0.027 nan 8.280 nan 0.000 0.554 663 Y N 2.214 122.701 120.300 0.312 0.000 2.326 663 Y HA 0.254 4.804 4.550 -0.001 0.000 0.324 663 Y C 0.583 176.721 175.900 0.398 0.000 1.291 663 Y CA -2.070 56.228 58.100 0.329 0.000 1.348 663 Y CB 0.283 38.975 38.460 0.387 0.000 1.294 663 Y HN 0.219 nan 8.280 nan 0.000 0.525 664 D N -0.167 119.866 120.400 -0.612 0.000 2.346 664 D HA -0.001 4.639 4.640 -0.001 0.000 0.236 664 D C 0.873 177.113 176.300 -0.100 0.000 1.259 664 D CA 0.610 54.341 54.000 -0.448 0.000 0.898 664 D CB 0.579 40.910 40.800 -0.781 0.000 1.178 664 D HN 0.474 nan 8.370 nan 0.000 0.457 665 S N 0.362 116.015 115.700 -0.078 0.000 2.335 665 S HA -0.158 4.312 4.470 -0.001 0.000 0.217 665 S C 2.098 176.710 174.600 0.020 0.000 1.032 665 S CA 0.945 59.165 58.200 0.034 0.000 0.985 665 S CB -1.094 62.136 63.200 0.051 0.000 0.896 665 S HN 0.433 nan 8.310 nan 0.000 0.445 666 V N 1.276 121.154 119.914 -0.060 0.000 2.250 666 V HA -0.263 3.857 4.120 -0.001 0.000 0.253 666 V C 2.290 178.271 176.094 -0.188 0.000 1.065 666 V CA 2.516 64.678 62.300 -0.231 0.000 1.039 666 V CB -1.186 30.365 31.823 -0.453 0.000 0.647 666 V HN 0.559 nan 8.190 nan 0.000 0.446 667 Y N 1.261 121.466 120.300 -0.159 0.000 2.084 667 Y HA -0.232 4.317 4.550 -0.001 0.000 0.279 667 Y C 2.793 178.637 175.900 -0.092 0.000 1.119 667 Y CA 2.384 60.448 58.100 -0.060 0.000 1.101 667 Y CB -0.858 37.761 38.460 0.265 0.000 0.989 667 Y HN 0.208 nan 8.280 nan 0.000 0.484 668 T N 0.533 115.229 114.554 0.236 0.000 2.570 668 T HA -0.295 4.055 4.350 -0.001 0.000 0.266 668 T C 1.617 176.221 174.700 -0.161 0.000 1.071 668 T CA 2.185 64.331 62.100 0.076 0.000 1.172 668 T CB -0.543 68.564 68.868 0.398 0.000 0.864 668 T HN 0.433 nan 8.240 nan 0.000 0.421 669 E N 0.277 120.450 120.200 -0.044 0.000 2.219 669 E HA -0.182 4.167 4.350 -0.001 0.000 0.198 669 E C 2.317 178.769 176.600 -0.247 0.000 0.998 669 E CA 0.771 57.140 56.400 -0.052 0.000 0.818 669 E CB -0.157 29.562 29.700 0.031 0.000 0.741 669 E HN 0.353 nan 8.360 nan 0.000 0.477 670 R N -0.141 120.037 120.500 -0.535 0.000 2.120 670 R HA -0.161 4.179 4.340 -0.001 0.000 0.234 670 R C 1.091 176.778 176.300 -1.022 0.000 1.123 670 R CA 1.463 57.054 56.100 -0.849 0.000 0.975 670 R CB 0.052 29.567 30.300 -1.308 0.000 0.866 670 R HN 0.294 nan 8.270 nan 0.000 0.446 671 Y N -2.538 117.391 120.300 -0.619 0.000 2.430 671 Y HA 0.255 4.804 4.550 -0.001 0.000 0.248 671 Y C 1.536 177.209 175.900 -0.377 0.000 1.108 671 Y CA -0.505 57.225 58.100 -0.615 0.000 1.264 671 Y CB 0.701 38.661 38.460 -0.833 0.000 1.172 671 Y HN -0.036 nan 8.280 nan 0.000 0.520 672 M N -0.450 119.010 119.600 -0.234 0.000 2.304 672 M HA 0.384 4.864 4.480 -0.001 0.000 0.281 672 M C 1.122 177.460 176.300 0.064 0.000 1.014 672 M CA 0.836 56.031 55.300 -0.175 0.000 1.054 672 M CB 0.092 32.393 32.600 -0.498 0.000 1.551 672 M HN 0.333 nan 8.290 nan 0.000 0.548 673 G N 1.845 110.679 108.800 0.056 0.000 2.593 673 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.237 673 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.237 673 G C -0.573 174.441 174.900 0.190 0.000 1.312 673 G CA -0.701 44.463 45.100 0.106 0.000 0.896 673 G HN 0.330 nan 8.290 nan 0.000 0.574 674 L N 1.971 123.267 121.223 0.121 0.000 2.325 674 L HA 0.450 4.790 4.340 -0.001 0.000 0.279 674 L C -1.398 175.409 176.870 -0.106 0.000 1.054 674 L CA -1.835 53.022 54.840 0.027 0.000 0.804 674 L CB 2.051 44.106 42.059 -0.008 0.000 1.200 674 L HN 0.459 nan 8.230 nan 0.000 0.436 675 P HA 0.027 nan 4.420 nan 0.000 0.237 675 P C -0.319 176.796 177.300 -0.308 0.000 1.723 675 P CA -0.021 62.598 63.100 -0.801 0.000 0.882 675 P CB -0.570 30.464 31.700 -1.110 0.000 1.810 676 T N -3.421 111.040 114.554 -0.154 0.000 2.885 676 T HA 0.417 4.766 4.350 -0.001 0.000 0.285 676 T C -1.815 172.857 174.700 -0.047 0.000 1.019 676 T CA -2.467 59.583 62.100 -0.084 0.000 1.010 676 T CB 2.078 70.911 68.868 -0.058 0.000 1.022 676 T HN -0.206 nan 8.240 nan 0.000 0.466 677 P HA -0.120 nan 4.420 nan 0.000 0.221 677 P C 0.856 178.144 177.300 -0.019 0.000 1.145 677 P CA 1.095 64.182 63.100 -0.022 0.000 0.795 677 P CB 0.213 31.903 31.700 -0.017 0.000 0.775 678 E N -0.864 119.324 120.200 -0.020 0.000 2.427 678 E HA -0.071 4.278 4.350 -0.001 0.000 0.196 678 E C 1.133 177.726 176.600 -0.012 0.000 1.028 678 E CA 0.543 56.934 56.400 -0.015 0.000 0.864 678 E CB 0.071 29.762 29.700 -0.015 0.000 0.813 678 E HN 0.352 nan 8.360 nan 0.000 0.514 679 D N 0.500 120.894 120.400 -0.011 0.000 3.221 679 D HA 0.025 4.664 4.640 -0.001 0.000 0.207 679 D C 0.186 176.488 176.300 0.004 0.000 1.292 679 D CA -0.184 53.818 54.000 0.003 0.000 1.410 679 D CB -0.117 40.694 40.800 0.019 0.000 0.956 679 D HN -0.098 nan 8.370 nan 0.000 0.177 680 N N 0.259 118.990 118.700 0.051 0.000 2.338 680 N HA 0.076 4.816 4.740 -0.001 0.000 0.251 680 N C 1.307 176.932 175.510 0.191 0.000 1.199 680 N CA -0.126 52.975 53.050 0.085 0.000 0.879 680 N CB 0.556 39.151 38.487 0.179 0.000 1.159 680 N HN 0.031 nan 8.380 nan 0.000 0.514 681 L N 0.745 122.013 121.223 0.074 0.000 2.081 681 L HA -0.189 4.151 4.340 -0.001 0.000 0.212 681 L C 1.280 178.238 176.870 0.145 0.000 1.080 681 L CA 1.964 56.842 54.840 0.064 0.000 0.754 681 L CB -0.354 41.697 42.059 -0.015 0.000 0.893 681 L HN 0.189 nan 8.230 nan 0.000 0.433 682 D N -1.264 119.178 120.400 0.071 0.000 2.084 682 D HA -0.185 4.454 4.640 -0.001 0.000 0.194 682 D C 2.074 178.495 176.300 0.201 0.000 0.990 682 D CA 1.541 55.589 54.000 0.079 0.000 0.826 682 D CB -0.338 40.455 40.800 -0.012 0.000 0.971 682 D HN 0.457 nan 8.370 nan 0.000 0.453 683 H N -0.915 118.241 119.070 0.142 0.000 2.491 683 H HA -0.053 4.502 4.556 -0.001 0.000 0.290 683 H C 1.756 177.160 175.328 0.126 0.000 1.050 683 H CA 0.511 56.622 56.048 0.105 0.000 1.309 683 H CB -0.461 29.332 29.762 0.052 0.000 1.392 683 H HN 0.321 nan 8.280 nan 0.000 0.554 684 Y N 0.931 121.351 120.300 0.201 0.000 2.133 684 Y HA -0.103 4.447 4.550 -0.001 0.000 0.287 684 Y C 2.549 178.531 175.900 0.137 0.000 1.134 684 Y CA 1.261 59.471 58.100 0.182 0.000 1.133 684 Y CB 0.077 38.611 38.460 0.124 0.000 0.987 684 Y HN 0.016 nan 8.280 nan 0.000 0.502 685 R N -0.107 120.556 120.500 0.271 0.000 2.280 685 R HA -0.094 4.245 4.340 -0.001 0.000 0.207 685 R C 1.637 178.012 176.300 0.125 0.000 1.043 685 R CA 0.652 56.845 56.100 0.154 0.000 1.006 685 R CB -0.205 30.162 30.300 0.112 0.000 0.885 685 R HN 0.396 nan 8.270 nan 0.000 0.467 686 N N 0.579 119.373 118.700 0.155 0.000 2.333 686 N HA -0.059 4.681 4.740 -0.001 0.000 0.178 686 N C 0.734 176.309 175.510 0.109 0.000 1.018 686 N CA 0.982 54.106 53.050 0.124 0.000 0.882 686 N CB 0.264 38.840 38.487 0.148 0.000 0.984 686 N HN 0.107 nan 8.380 nan 0.000 0.434 687 S N -0.171 115.619 115.700 0.149 0.000 2.767 687 S HA 0.156 4.625 4.470 -0.001 0.000 0.253 687 S C 0.439 175.144 174.600 0.174 0.000 1.082 687 S CA -0.433 57.881 58.200 0.190 0.000 1.148 687 S CB -0.157 63.231 63.200 0.314 0.000 0.808 687 S HN -0.085 nan 8.310 nan 0.000 0.466 688 T N 1.347 115.952 114.554 0.084 0.000 2.889 688 T HA 0.305 4.655 4.350 -0.001 0.000 0.291 688 T C 1.352 176.062 174.700 0.018 0.000 0.995 688 T CA -0.419 61.696 62.100 0.025 0.000 1.092 688 T CB 1.474 70.338 68.868 -0.006 0.000 0.954 688 T HN 0.118 nan 8.240 nan 0.000 0.506 689 V N 4.482 124.397 119.914 0.001 0.000 2.488 689 V HA -0.124 3.995 4.120 -0.001 0.000 0.246 689 V C 2.528 178.573 176.094 -0.082 0.000 1.046 689 V CA 1.249 63.529 62.300 -0.034 0.000 1.053 689 V CB -0.420 31.378 31.823 -0.041 0.000 0.679 689 V HN 0.843 nan 8.190 nan 0.000 0.458 690 M N 0.783 120.330 119.600 -0.088 0.000 2.460 690 M HA -0.034 4.446 4.480 -0.001 0.000 0.263 690 M C 2.080 178.342 176.300 -0.064 0.000 1.071 690 M CA 1.874 57.107 55.300 -0.111 0.000 1.096 690 M CB -1.760 30.794 32.600 -0.078 0.000 1.408 690 M HN 0.508 nan 8.290 nan 0.000 0.463 691 S N 0.624 116.308 115.700 -0.027 0.000 2.607 691 S HA 0.071 4.541 4.470 -0.001 0.000 0.224 691 S C 1.509 176.116 174.600 0.012 0.000 0.969 691 S CA -0.061 58.137 58.200 -0.002 0.000 0.927 691 S CB -0.319 62.889 63.200 0.013 0.000 0.772 691 S HN 0.657 nan 8.310 nan 0.000 0.533 692 R N 0.065 120.577 120.500 0.019 0.000 2.577 692 R HA 0.471 4.811 4.340 -0.001 0.000 0.344 692 R C 1.856 178.247 176.300 0.153 0.000 1.037 692 R CA 0.394 56.543 56.100 0.082 0.000 1.102 692 R CB 0.032 30.397 30.300 0.108 0.000 1.313 692 R HN 0.404 nan 8.270 nan 0.000 0.561 693 A N 1.877 124.702 122.820 0.008 0.000 1.884 693 A HA -0.254 4.066 4.320 -0.001 0.000 0.219 693 A C 1.904 179.556 177.584 0.113 0.000 1.197 693 A CA 1.470 53.465 52.037 -0.070 0.000 0.637 693 A CB -0.214 18.722 19.000 -0.108 0.000 0.827 693 A HN 0.215 nan 8.150 nan 0.000 0.450 694 E N 0.210 120.464 120.200 0.090 0.000 2.068 694 E HA -0.236 4.113 4.350 -0.001 0.000 0.207 694 E C 1.618 178.299 176.600 0.134 0.000 1.032 694 E CA 1.608 58.066 56.400 0.097 0.000 0.839 694 E CB -0.562 29.175 29.700 0.062 0.000 0.758 694 E HN 0.611 nan 8.360 nan 0.000 0.457 695 N N 0.106 118.884 118.700 0.130 0.000 2.588 695 N HA -0.142 4.598 4.740 -0.001 0.000 0.190 695 N C 1.334 176.855 175.510 0.019 0.000 1.094 695 N CA 0.519 53.603 53.050 0.057 0.000 0.921 695 N CB -0.359 38.121 38.487 -0.013 0.000 0.959 695 N HN 0.139 nan 8.380 nan 0.000 0.448 696 F N 1.205 121.123 119.950 -0.052 0.000 2.661 696 F HA 0.107 4.633 4.527 -0.001 0.000 0.298 696 F C 1.909 177.724 175.800 0.025 0.000 1.137 696 F CA 0.369 58.337 58.000 -0.054 0.000 1.454 696 F CB 0.104 39.041 39.000 -0.106 0.000 1.103 696 F HN -0.064 nan 8.300 nan 0.000 0.577 697 K N 0.178 120.687 120.400 0.181 0.000 2.280 697 K HA -0.168 4.151 4.320 -0.001 0.000 0.202 697 K C 1.009 177.668 176.600 0.099 0.000 1.047 697 K CA 1.048 57.417 56.287 0.138 0.000 0.942 697 K CB -0.283 32.279 32.500 0.103 0.000 0.739 697 K HN 0.442 nan 8.250 nan 0.000 0.457 698 Q N 0.622 120.457 119.800 0.059 0.000 2.228 698 Q HA 0.136 4.476 4.340 -0.001 0.000 0.211 698 Q C -0.592 175.430 176.000 0.036 0.000 0.890 698 Q CA -0.115 55.710 55.803 0.037 0.000 0.953 698 Q CB 0.647 29.392 28.738 0.010 0.000 1.053 698 Q HN -0.070 nan 8.270 nan 0.000 0.471 699 V N 0.071 120.024 119.914 0.066 0.000 3.120 699 V HA 0.189 4.309 4.120 -0.001 0.000 0.303 699 V C -0.919 175.297 176.094 0.203 0.000 1.238 699 V CA -1.034 61.320 62.300 0.089 0.000 1.008 699 V CB 2.679 34.482 31.823 -0.033 0.000 1.064 699 V HN 0.117 nan 8.190 nan 0.000 0.434 700 E N 2.081 122.427 120.200 0.243 0.000 2.130 700 E HA 0.392 4.742 4.350 -0.001 0.000 0.284 700 E C -1.738 175.202 176.600 0.567 0.000 1.018 700 E CA -0.339 56.277 56.400 0.359 0.000 0.817 700 E CB 1.305 31.151 29.700 0.243 0.000 1.078 700 E HN 0.523 nan 8.360 nan 0.000 0.396 701 Y N 3.650 124.191 120.300 0.401 0.000 2.393 701 Y HA 0.426 4.976 4.550 -0.001 0.000 0.341 701 Y C -1.480 174.508 175.900 0.148 0.000 0.988 701 Y CA -1.549 56.736 58.100 0.308 0.000 1.078 701 Y CB 1.009 39.697 38.460 0.380 0.000 1.203 701 Y HN 0.386 nan 8.280 nan 0.000 0.453 702 L N 7.854 128.786 121.223 -0.485 0.000 2.345 702 L HA 0.521 4.861 4.340 -0.001 0.000 0.274 702 L C -2.096 174.330 176.870 -0.741 0.000 0.999 702 L CA -0.727 53.680 54.840 -0.722 0.000 0.849 702 L CB 1.009 42.310 42.059 -1.263 0.000 1.220 702 L HN 0.639 nan 8.230 nan 0.000 0.422 703 L N 6.561 127.414 121.223 -0.618 0.000 2.272 703 L HA 0.628 4.967 4.340 -0.001 0.000 0.289 703 L C -0.866 175.873 176.870 -0.219 0.000 1.032 703 L CA 0.127 54.672 54.840 -0.491 0.000 0.810 703 L CB 0.886 42.672 42.059 -0.455 0.000 1.205 703 L HN 0.554 nan 8.230 nan 0.000 0.422 704 I N 4.679 125.128 120.570 -0.202 0.000 2.465 704 I HA 0.436 4.605 4.170 -0.001 0.000 0.291 704 I C -0.963 175.122 176.117 -0.053 0.000 1.014 704 I CA -0.677 60.559 61.300 -0.106 0.000 1.093 704 I CB 1.823 39.714 38.000 -0.182 0.000 1.267 704 I HN 0.655 nan 8.210 nan 0.000 0.431 705 H N 2.375 121.503 119.070 0.096 0.000 3.046 705 H HA 0.533 5.088 4.556 -0.001 0.000 0.363 705 H C -0.340 175.202 175.328 0.358 0.000 1.203 705 H CA -0.643 55.519 56.048 0.190 0.000 1.169 705 H CB 2.145 32.020 29.762 0.189 0.000 1.851 705 H HN 0.722 nan 8.280 nan 0.000 0.546 706 G N 1.400 110.577 108.800 0.629 0.000 2.353 706 G HA2 0.152 4.112 3.960 -0.001 0.000 0.284 706 G HA3 0.152 4.112 3.960 -0.001 0.000 0.284 706 G C 0.754 175.866 174.900 0.354 0.000 1.172 706 G CA -0.149 45.227 45.100 0.460 0.000 0.854 706 G HN 0.719 nan 8.290 nan 0.000 0.485 707 T N 2.058 116.690 114.554 0.130 0.000 2.759 707 T HA -0.099 4.250 4.350 -0.001 0.000 0.269 707 T C 2.044 176.649 174.700 -0.160 0.000 1.042 707 T CA 1.945 63.952 62.100 -0.155 0.000 1.140 707 T CB -0.042 68.801 68.868 -0.043 0.000 0.864 707 T HN 0.655 nan 8.240 nan 0.000 0.455 708 A N 1.197 123.972 122.820 -0.075 0.000 3.003 708 A HA 0.260 4.580 4.320 -0.001 0.000 0.301 708 A C 0.081 177.449 177.584 -0.360 0.000 1.280 708 A CA -0.454 51.364 52.037 -0.365 0.000 0.973 708 A CB -0.031 19.052 19.000 0.138 0.000 1.110 708 A HN 0.223 nan 8.150 nan 0.000 0.590 709 D N 1.503 121.816 120.400 -0.145 0.000 2.344 709 D HA -0.003 4.637 4.640 -0.001 0.000 0.253 709 D C 0.216 176.510 176.300 -0.011 0.000 1.255 709 D CA 0.096 54.160 54.000 0.106 0.000 0.894 709 D CB 0.715 41.758 40.800 0.405 0.000 1.067 709 D HN 0.602 nan 8.370 nan 0.000 0.492 710 D N 2.360 122.780 120.400 0.032 0.000 2.349 710 D HA -0.124 4.516 4.640 -0.001 0.000 0.215 710 D C 0.886 177.181 176.300 -0.008 0.000 1.016 710 D CA -0.146 53.872 54.000 0.030 0.000 0.870 710 D CB 0.490 41.286 40.800 -0.007 0.000 0.917 710 D HN 0.205 nan 8.370 nan 0.000 0.524 711 N N 0.833 119.595 118.700 0.103 0.000 2.335 711 N HA -0.042 4.698 4.740 -0.001 0.000 0.197 711 N C 0.024 175.470 175.510 -0.107 0.000 1.045 711 N CA 0.579 53.702 53.050 0.122 0.000 0.928 711 N CB 0.482 38.976 38.487 0.011 0.000 1.118 711 N HN -0.095 nan 8.380 nan 0.000 0.471 712 V N 3.442 123.324 119.914 -0.054 0.000 2.270 712 V HA 0.174 4.293 4.120 -0.001 0.000 0.263 712 V C 0.455 176.649 176.094 0.168 0.000 1.066 712 V CA -0.545 61.792 62.300 0.061 0.000 0.857 712 V CB 0.384 32.304 31.823 0.162 0.000 1.099 712 V HN 0.366 nan 8.190 nan 0.000 0.476 713 H N 3.690 122.781 119.070 0.034 0.000 2.545 713 H HA -0.221 4.334 4.556 -0.001 0.000 0.294 713 H C 1.549 176.834 175.328 -0.072 0.000 1.077 713 H CA 1.535 57.536 56.048 -0.078 0.000 1.197 713 H CB -0.337 29.295 29.762 -0.216 0.000 1.347 713 H HN 0.807 nan 8.280 nan 0.000 0.594 714 F N -0.167 119.542 119.950 -0.403 0.000 2.548 714 F HA -0.461 4.066 4.527 -0.001 0.000 0.640 714 F C 2.053 177.607 175.800 -0.409 0.000 0.495 714 F CA 2.004 59.497 58.000 -0.844 0.000 0.893 714 F CB -1.053 37.656 39.000 -0.485 0.000 1.722 714 F HN 0.329 nan 8.300 nan 0.000 0.261 715 Q N 0.771 120.471 119.800 -0.167 0.000 2.197 715 Q HA -0.269 4.071 4.340 -0.001 0.000 0.207 715 Q C 1.754 177.527 176.000 -0.378 0.000 0.984 715 Q CA 2.091 57.737 55.803 -0.263 0.000 0.869 715 Q CB -0.258 28.297 28.738 -0.304 0.000 0.906 715 Q HN 0.808 nan 8.270 nan 0.000 0.426 716 Q N -0.276 119.360 119.800 -0.273 0.000 2.050 716 Q HA -0.101 4.239 4.340 -0.001 0.000 0.202 716 Q C 2.203 178.121 176.000 -0.135 0.000 0.980 716 Q CA 1.693 57.447 55.803 -0.082 0.000 0.840 716 Q CB -0.072 28.704 28.738 0.063 0.000 0.898 716 Q HN 0.315 nan 8.270 nan 0.000 0.424 717 S N 0.750 116.271 115.700 -0.298 0.000 2.414 717 S HA 0.018 4.488 4.470 -0.001 0.000 0.227 717 S C 2.041 176.396 174.600 -0.407 0.000 1.022 717 S CA 0.674 58.699 58.200 -0.292 0.000 0.958 717 S CB -0.059 63.002 63.200 -0.231 0.000 0.797 717 S HN 0.456 nan 8.310 nan 0.000 0.493 718 A N 1.010 123.471 122.820 -0.598 0.000 1.972 718 A HA -0.156 4.163 4.320 -0.001 0.000 0.219 718 A C 2.068 179.530 177.584 -0.202 0.000 1.169 718 A CA 1.560 53.355 52.037 -0.403 0.000 0.635 718 A CB -0.529 18.266 19.000 -0.342 0.000 0.810 718 A HN 0.387 nan 8.150 nan 0.000 0.446 719 Q N -0.358 119.337 119.800 -0.175 0.000 2.245 719 Q HA 0.099 4.439 4.340 -0.001 0.000 0.201 719 Q C 1.739 177.689 176.000 -0.083 0.000 0.955 719 Q CA 1.043 56.803 55.803 -0.071 0.000 0.870 719 Q CB -0.301 28.465 28.738 0.046 0.000 0.945 719 Q HN 0.736 nan 8.270 nan 0.000 0.461 720 I N -0.375 120.114 120.570 -0.136 0.000 2.193 720 I HA -0.255 3.915 4.170 -0.001 0.000 0.240 720 I C 2.252 178.203 176.117 -0.277 0.000 1.084 720 I CA 1.244 62.422 61.300 -0.205 0.000 1.365 720 I CB -0.539 37.339 38.000 -0.202 0.000 1.064 720 I HN 0.258 nan 8.210 nan 0.000 0.410 721 S N 1.224 116.769 115.700 -0.258 0.000 2.359 721 S HA -0.318 4.151 4.470 -0.001 0.000 0.224 721 S C 2.086 176.676 174.600 -0.017 0.000 1.035 721 S CA 1.700 59.787 58.200 -0.188 0.000 1.018 721 S CB -0.605 62.642 63.200 0.078 0.000 0.876 721 S HN 0.370 nan 8.310 nan 0.000 0.448 722 K N 1.639 122.025 120.400 -0.024 0.000 2.113 722 K HA -0.098 4.222 4.320 -0.001 0.000 0.208 722 K C 2.281 178.874 176.600 -0.012 0.000 1.047 722 K CA 1.316 57.605 56.287 0.003 0.000 0.928 722 K CB -0.674 31.817 32.500 -0.014 0.000 0.716 722 K HN 0.504 nan 8.250 nan 0.000 0.446 723 A N 1.060 123.841 122.820 -0.065 0.000 1.930 723 A HA -0.075 4.244 4.320 -0.001 0.000 0.217 723 A C 2.080 179.616 177.584 -0.079 0.000 1.175 723 A CA 1.086 53.078 52.037 -0.076 0.000 0.627 723 A CB -0.430 18.499 19.000 -0.119 0.000 0.815 723 A HN 0.308 nan 8.150 nan 0.000 0.443 724 L N -0.570 120.579 121.223 -0.124 0.000 2.109 724 L HA -0.114 4.226 4.340 -0.001 0.000 0.207 724 L C 2.454 179.391 176.870 0.112 0.000 1.086 724 L CA 0.746 55.549 54.840 -0.062 0.000 0.760 724 L CB -0.490 41.455 42.059 -0.190 0.000 0.910 724 L HN 0.226 nan 8.230 nan 0.000 0.437 725 V N -0.248 119.761 119.914 0.158 0.000 2.343 725 V HA -0.271 3.848 4.120 -0.001 0.000 0.247 725 V C 1.996 178.138 176.094 0.079 0.000 1.051 725 V CA 1.798 64.187 62.300 0.149 0.000 1.036 725 V CB -0.498 31.406 31.823 0.135 0.000 0.654 725 V HN 0.423 nan 8.190 nan 0.000 0.451 726 D N 0.481 120.911 120.400 0.049 0.000 2.219 726 D HA -0.044 4.596 4.640 -0.001 0.000 0.205 726 D C 2.069 178.389 176.300 0.034 0.000 0.970 726 D CA 1.455 55.475 54.000 0.033 0.000 0.851 726 D CB -0.144 40.667 40.800 0.018 0.000 0.943 726 D HN 0.469 nan 8.370 nan 0.000 0.488 727 A N -0.104 122.737 122.820 0.035 0.000 2.169 727 A HA 0.366 4.686 4.320 -0.001 0.000 0.212 727 A C 1.685 179.304 177.584 0.059 0.000 1.153 727 A CA 1.020 53.081 52.037 0.040 0.000 0.756 727 A CB -0.234 18.784 19.000 0.029 0.000 0.813 727 A HN 0.227 nan 8.150 nan 0.000 0.471 728 G N -0.986 107.857 108.800 0.072 0.000 2.225 728 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.264 728 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.264 728 G C -0.093 174.870 174.900 0.104 0.000 1.060 728 G CA 0.177 45.323 45.100 0.078 0.000 0.833 728 G HN 0.861 nan 8.290 nan 0.000 0.498 729 V N 0.524 120.527 119.914 0.148 0.000 2.347 729 V HA 0.462 4.581 4.120 -0.001 0.000 0.280 729 V C 0.400 176.663 176.094 0.282 0.000 1.021 729 V CA -0.683 61.739 62.300 0.203 0.000 0.847 729 V CB 1.678 33.633 31.823 0.219 0.000 0.990 729 V HN 0.427 nan 8.190 nan 0.000 0.444 730 D N 4.006 124.532 120.400 0.211 0.000 2.341 730 D HA 0.573 5.212 4.640 -0.001 0.000 0.245 730 D C -0.470 176.012 176.300 0.303 0.000 1.106 730 D CA 0.276 54.363 54.000 0.145 0.000 0.905 730 D CB 0.786 41.629 40.800 0.072 0.000 1.202 730 D HN 0.386 nan 8.370 nan 0.000 0.426 731 F N -0.998 119.037 119.950 0.141 0.000 2.877 731 F HA 0.450 4.976 4.527 -0.001 0.000 0.319 731 F C -1.667 174.198 175.800 0.109 0.000 1.174 731 F CA -1.064 57.044 58.000 0.180 0.000 0.903 731 F CB 0.865 40.011 39.000 0.244 0.000 1.357 731 F HN 0.191 nan 8.300 nan 0.000 0.472 732 Q N 1.246 121.226 119.800 0.299 0.000 2.333 732 Q HA 0.797 5.137 4.340 -0.001 0.000 0.267 732 Q C -1.071 175.027 176.000 0.164 0.000 1.012 732 Q CA -1.190 54.677 55.803 0.106 0.000 0.824 732 Q CB 2.442 31.256 28.738 0.127 0.000 1.290 732 Q HN 0.971 nan 8.270 nan 0.000 0.449 733 A N 2.329 125.200 122.820 0.085 0.000 2.387 733 A HA 0.922 5.242 4.320 -0.001 0.000 0.303 733 A C -1.181 176.382 177.584 -0.035 0.000 1.145 733 A CA -0.608 51.492 52.037 0.105 0.000 0.801 733 A CB 1.856 21.014 19.000 0.264 0.000 1.342 733 A HN 0.657 nan 8.150 nan 0.000 0.440 734 M N 0.927 120.486 119.600 -0.068 0.000 2.331 734 M HA 0.484 4.964 4.480 -0.001 0.000 0.249 734 M C -2.110 174.084 176.300 -0.176 0.000 1.010 734 M CA -0.496 54.617 55.300 -0.312 0.000 0.939 734 M CB 0.895 33.209 32.600 -0.477 0.000 2.126 734 M HN 0.934 nan 8.290 nan 0.000 0.472 735 W N 4.384 125.546 121.300 -0.230 0.000 2.516 735 W HA 0.784 5.443 4.660 -0.001 0.000 0.343 735 W C -1.967 174.301 176.519 -0.418 0.000 1.094 735 W CA -0.861 56.419 57.345 -0.109 0.000 1.250 735 W CB 0.397 29.847 29.460 -0.017 0.000 1.308 735 W HN 0.627 nan 8.180 nan 0.000 0.588 736 Y N 2.542 122.947 120.300 0.175 0.000 2.464 736 Y HA 0.289 4.838 4.550 -0.001 0.000 0.326 736 Y C 0.548 176.534 175.900 0.144 0.000 0.969 736 Y CA -0.937 57.184 58.100 0.035 0.000 1.270 736 Y CB 1.368 39.819 38.460 -0.014 0.000 1.103 736 Y HN 0.426 nan 8.280 nan 0.000 0.491 737 T N 4.563 119.246 114.554 0.215 0.000 2.866 737 T HA -0.052 4.297 4.350 -0.001 0.000 0.293 737 T C 0.219 174.977 174.700 0.097 0.000 1.005 737 T CA 0.627 62.815 62.100 0.145 0.000 1.162 737 T CB -0.139 68.760 68.868 0.051 0.000 0.968 737 T HN 0.695 nan 8.240 nan 0.000 0.530 738 D N 0.942 121.381 120.400 0.065 0.000 3.039 738 D HA -0.126 4.514 4.640 -0.001 0.000 0.222 738 D C 0.370 176.771 176.300 0.170 0.000 1.179 738 D CA 1.128 55.120 54.000 -0.014 0.000 0.880 738 D CB -0.339 40.256 40.800 -0.342 0.000 1.115 738 D HN 0.532 nan 8.370 nan 0.000 0.416 739 E N 0.449 120.764 120.200 0.192 0.000 2.318 739 E HA 0.225 4.575 4.350 -0.001 0.000 0.265 739 E C 0.670 177.408 176.600 0.229 0.000 1.069 739 E CA -0.344 56.187 56.400 0.217 0.000 0.893 739 E CB 1.087 30.920 29.700 0.222 0.000 1.076 739 E HN 0.079 nan 8.360 nan 0.000 0.414 740 D N -0.223 120.320 120.400 0.238 0.000 2.348 740 D HA -0.052 4.588 4.640 -0.001 0.000 0.272 740 D C 0.878 177.366 176.300 0.313 0.000 1.237 740 D CA 0.034 54.196 54.000 0.269 0.000 1.042 740 D CB 0.412 41.371 40.800 0.265 0.000 1.117 740 D HN 0.456 nan 8.370 nan 0.000 0.548 741 H N -1.671 117.552 119.070 0.256 0.000 2.551 741 H HA 0.244 4.799 4.556 -0.001 0.000 0.266 741 H C 1.352 176.914 175.328 0.389 0.000 0.964 741 H CA 1.382 57.608 56.048 0.297 0.000 1.180 741 H CB 0.073 30.001 29.762 0.277 0.000 1.408 741 H HN 0.287 nan 8.280 nan 0.000 0.563 742 G N -0.230 108.721 108.800 0.253 0.000 3.126 742 G HA2 0.110 4.069 3.960 -0.001 0.000 0.224 742 G HA3 0.110 4.069 3.960 -0.001 0.000 0.224 742 G C 0.485 175.548 174.900 0.272 0.000 1.142 742 G CA 0.048 45.239 45.100 0.152 0.000 0.759 742 G HN 0.459 nan 8.290 nan 0.000 0.550 743 I N 0.271 121.004 120.570 0.272 0.000 3.859 743 I HA -0.344 3.826 4.170 -0.001 0.000 0.126 743 I C 1.605 177.819 176.117 0.162 0.000 1.065 743 I CA 0.248 61.647 61.300 0.165 0.000 2.735 743 I CB -1.011 37.018 38.000 0.048 0.000 1.465 743 I HN 0.257 nan 8.210 nan 0.000 0.341 744 A N 1.194 124.092 122.820 0.130 0.000 2.387 744 A HA 0.305 4.625 4.320 -0.001 0.000 0.234 744 A C 1.177 178.800 177.584 0.066 0.000 1.253 744 A CA 0.475 52.556 52.037 0.073 0.000 0.894 744 A CB 0.049 19.053 19.000 0.006 0.000 0.963 744 A HN 0.628 nan 8.150 nan 0.000 0.508 745 S N -0.785 114.973 115.700 0.096 0.000 2.584 745 S HA 0.194 4.664 4.470 -0.001 0.000 0.270 745 S C 1.241 175.900 174.600 0.098 0.000 1.346 745 S CA 0.349 58.603 58.200 0.090 0.000 1.018 745 S CB 1.110 64.373 63.200 0.105 0.000 0.899 745 S HN 0.394 nan 8.310 nan 0.000 0.542 746 S N 1.623 117.369 115.700 0.078 0.000 2.351 746 S HA -0.172 4.297 4.470 -0.001 0.000 0.220 746 S C 2.139 176.807 174.600 0.113 0.000 1.035 746 S CA 2.284 60.536 58.200 0.087 0.000 1.031 746 S CB -1.640 61.591 63.200 0.051 0.000 0.928 746 S HN 1.023 nan 8.310 nan 0.000 0.433 747 T N 0.563 115.174 114.554 0.095 0.000 2.746 747 T HA 0.034 4.384 4.350 -0.001 0.000 0.267 747 T C 1.968 176.746 174.700 0.130 0.000 1.039 747 T CA 1.470 63.632 62.100 0.103 0.000 1.142 747 T CB -0.994 67.930 68.868 0.093 0.000 0.866 747 T HN 0.476 nan 8.240 nan 0.000 0.444 748 A N 1.642 124.528 122.820 0.110 0.000 1.902 748 A HA -0.114 4.205 4.320 -0.001 0.000 0.217 748 A C 2.209 179.784 177.584 -0.015 0.000 1.181 748 A CA 2.061 54.125 52.037 0.044 0.000 0.623 748 A CB -1.235 17.764 19.000 -0.002 0.000 0.818 748 A HN 0.739 nan 8.150 nan 0.000 0.443 749 H N -0.011 119.055 119.070 -0.007 0.000 2.319 749 H HA -0.161 4.394 4.556 -0.001 0.000 0.299 749 H C 2.089 177.485 175.328 0.114 0.000 1.092 749 H CA 2.410 58.493 56.048 0.057 0.000 1.302 749 H CB -0.240 29.563 29.762 0.068 0.000 1.373 749 H HN 0.601 nan 8.280 nan 0.000 0.497 750 Q N -1.007 118.756 119.800 -0.062 0.000 2.046 750 Q HA -0.183 4.157 4.340 -0.001 0.000 0.200 750 Q C 2.271 178.246 176.000 -0.042 0.000 0.975 750 Q CA 1.267 56.999 55.803 -0.117 0.000 0.836 750 Q CB -0.282 28.439 28.738 -0.029 0.000 0.896 750 Q HN 0.616 nan 8.270 nan 0.000 0.428 751 H N 1.070 120.118 119.070 -0.037 0.000 2.319 751 H HA -0.120 4.435 4.556 -0.001 0.000 0.299 751 H C 1.990 177.322 175.328 0.007 0.000 1.092 751 H CA 1.523 57.590 56.048 0.031 0.000 1.302 751 H CB -0.163 29.682 29.762 0.139 0.000 1.373 751 H HN 0.287 nan 8.280 nan 0.000 0.497 752 I N -0.118 120.469 120.570 0.030 0.000 2.315 752 I HA -0.308 3.862 4.170 -0.001 0.000 0.248 752 I C 1.750 177.672 176.117 -0.325 0.000 1.117 752 I CA 1.220 62.416 61.300 -0.174 0.000 1.404 752 I CB -0.257 37.383 38.000 -0.600 0.000 1.071 752 I HN 0.150 nan 8.210 nan 0.000 0.419 753 Y N 0.258 120.361 120.300 -0.328 0.000 2.337 753 Y HA -0.140 4.410 4.550 -0.001 0.000 0.293 753 Y C 2.789 178.463 175.900 -0.375 0.000 1.123 753 Y CA 1.343 59.119 58.100 -0.541 0.000 1.201 753 Y CB -0.084 38.019 38.460 -0.596 0.000 1.011 753 Y HN 0.142 nan 8.280 nan 0.000 0.545 754 S N -1.157 114.459 115.700 -0.141 0.000 2.368 754 S HA -0.245 4.225 4.470 -0.001 0.000 0.224 754 S C 1.668 176.059 174.600 -0.348 0.000 1.029 754 S CA 1.507 59.550 58.200 -0.262 0.000 0.988 754 S CB -0.466 62.609 63.200 -0.208 0.000 0.838 754 S HN 0.548 nan 8.310 nan 0.000 0.462 755 H N 1.272 120.219 119.070 -0.205 0.000 2.353 755 H HA 0.093 4.649 4.556 -0.001 0.000 0.300 755 H C 1.993 177.314 175.328 -0.011 0.000 1.090 755 H CA 1.677 57.694 56.048 -0.051 0.000 1.327 755 H CB -0.144 29.643 29.762 0.041 0.000 1.383 755 H HN 0.301 nan 8.280 nan 0.000 0.508 756 M N -0.950 118.635 119.600 -0.024 0.000 2.254 756 M HA -0.122 4.358 4.480 -0.001 0.000 0.265 756 M C 2.409 178.850 176.300 0.235 0.000 1.066 756 M CA 1.178 56.484 55.300 0.011 0.000 1.123 756 M CB 0.145 32.542 32.600 -0.338 0.000 1.388 756 M HN 0.181 nan 8.290 nan 0.000 0.425 757 S N -0.377 115.448 115.700 0.209 0.000 2.348 757 S HA -0.159 4.311 4.470 -0.001 0.000 0.221 757 S C 1.729 176.422 174.600 0.154 0.000 1.033 757 S CA 1.173 59.561 58.200 0.313 0.000 1.010 757 S CB -0.617 62.687 63.200 0.173 0.000 0.891 757 S HN 0.473 nan 8.310 nan 0.000 0.442 758 H N -0.075 119.066 119.070 0.119 0.000 2.421 758 H HA -0.026 4.530 4.556 -0.001 0.000 0.298 758 H C 1.913 177.247 175.328 0.010 0.000 1.087 758 H CA 1.051 57.118 56.048 0.032 0.000 1.330 758 H CB -0.751 28.981 29.762 -0.051 0.000 1.388 758 H HN 0.443 nan 8.280 nan 0.000 0.526 759 F N 1.217 121.163 119.950 -0.006 0.000 2.134 759 F HA -0.129 4.397 4.527 -0.001 0.000 0.299 759 F C 2.268 178.047 175.800 -0.035 0.000 1.097 759 F CA 0.884 58.859 58.000 -0.041 0.000 1.264 759 F CB -0.412 38.557 39.000 -0.052 0.000 1.001 759 F HN -0.008 nan 8.300 nan 0.000 0.479 760 L N -0.374 120.847 121.223 -0.004 0.000 2.072 760 L HA -0.200 4.139 4.340 -0.001 0.000 0.205 760 L C 2.497 179.266 176.870 -0.168 0.000 1.079 760 L CA 1.293 56.006 54.840 -0.211 0.000 0.752 760 L CB -0.771 41.255 42.059 -0.054 0.000 0.906 760 L HN 0.178 nan 8.230 nan 0.000 0.436 761 Q N -0.382 119.426 119.800 0.014 0.000 2.061 761 Q HA -0.279 4.061 4.340 -0.001 0.000 0.204 761 Q C 2.255 178.257 176.000 0.004 0.000 0.984 761 Q CA 1.805 57.652 55.803 0.073 0.000 0.846 761 Q CB -0.094 28.728 28.738 0.140 0.000 0.902 761 Q HN 0.555 nan 8.270 nan 0.000 0.421 762 Q N -0.356 119.397 119.800 -0.077 0.000 2.020 762 Q HA -0.191 4.148 4.340 -0.001 0.000 0.202 762 Q C 2.459 178.359 176.000 -0.167 0.000 0.982 762 Q CA 1.431 57.165 55.803 -0.116 0.000 0.838 762 Q CB -0.475 28.168 28.738 -0.158 0.000 0.899 762 Q HN 0.458 nan 8.270 nan 0.000 0.423 763 c N 0.171 118.557 118.600 -0.357 0.000 2.413 763 c HA -0.125 4.445 4.570 -0.001 0.000 0.277 763 c C 2.056 176.093 174.090 -0.088 0.000 1.265 763 c CA 0.600 56.717 56.329 -0.354 0.000 1.752 763 c CB -1.003 41.112 42.510 -0.657 0.000 1.998 763 c HN 0.494 nan 8.230 nan 0.000 0.489 764 F N 0.815 120.719 119.950 -0.078 0.000 2.732 764 F HA 0.120 4.647 4.527 -0.001 0.000 0.303 764 F C 1.592 177.374 175.800 -0.030 0.000 1.110 764 F CA 0.196 58.175 58.000 -0.036 0.000 1.355 764 F CB -0.011 38.977 39.000 -0.020 0.000 1.081 764 F HN 0.230 nan 8.300 nan 0.000 0.565 765 S N 0.277 116.057 115.700 0.134 0.000 3.380 765 S HA -0.220 4.250 4.470 -0.001 0.000 0.300 765 S C 0.770 175.407 174.600 0.062 0.000 1.255 765 S CA 0.599 58.840 58.200 0.069 0.000 0.963 765 S CB -2.089 61.143 63.200 0.053 0.000 1.106 765 S HN 0.360 nan 8.310 nan 0.000 0.629 766 L N 0.201 121.477 121.223 0.089 0.000 2.589 766 L HA 0.471 4.811 4.340 -0.001 0.000 0.146 766 L C 1.449 178.353 176.870 0.058 0.000 1.557 766 L CA -0.389 54.493 54.840 0.071 0.000 3.084 766 L CB -0.541 41.575 42.059 0.095 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 -0.001 0.000 0.208 767 R CA 0.000 56.142 56.100 0.070 0.000 0.921 767 R CB 0.000 30.347 30.300 0.079 0.000 0.687 767 R HN 0.000 nan 8.270 nan 0.000 0.535