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 1kk8_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNIDFSDPDF QYLAVDRKKL MKXXTAAFDG KKNCWVPDEK EGFASAEIQS DATA SEQUENCE SKGDEITVKI VADSSTRTVK KDDIQSMNPP KFEKLEDMAN MTYLNEASVL DATA SEQUENCE YNLRSRYTSG LIYTYSGLFC IAVNPYRRLP IYTDSVIAKY RGKRKTEIPP DATA SEQUENCE HLFSVADNAY QNMVTDRENQ SCLITGESGA GKTENTKKVI MYLAKVACAV DATA SEQUENCE KXXXXXXXXK KEGSLEDQII QANPVLEAYG NAKTTRNNNS SRFGKFIRIH DATA SEQUENCE FGPTGKIAGA DIETYLLEKS RVTYQQSAER NYHIFYQICS NAIPELNDVM DATA SEQUENCE LVTPDSGLYS FINQGCLTVD NIDDVEEFKL CDEAFDILGF TKEEKQSMFK DATA SEQUENCE CTASILHMGE MKFKQXXXXE QAESDGTAEA EKVAFLCGIN AGDLLKALLK DATA SEQUENCE PKVKXXXXMV TKGQNMNQVV NSVGALAKSL YDRMFNWLVR RVNKTLDTKA DATA SEQUENCE KRNYYIGVLD IAGFEIFDFN SFEQLCINYT NERLQQFFNH HMFILEQEEY DATA SEQUENCE KKEGIAWEFI DFGMDLQMCI DLIEKPMGIL SILEEECMFP KADDKSFQDK DATA SEQUENCE LYQNHMGKNR MFTKPGKPTR PNQGPAHFEL HHYAGNVPYS ITGWLEKNKD DATA SEQUENCE PINENVVALL GASKEPLVAE LFKAXXXXXX XXXXXXXXXX XXQTISAVHR DATA SEQUENCE ESLNKLMKNL YSTHPHFVRC IIPNELKQPG LVDAELVLHQ LQCNGVLEXX DATA SEQUENCE XXXRKGFPSR LIYSEFKQRY SILAPNAIPQ XXXDGKTVSE KILAGLQMDP DATA SEQUENCE AEYRLGTTKV FFKAGVLGNL EEMRDERLSK IISMFQAHIR GYLIRKAYKK DATA SEQUENCE LQDQRIGLSV IQRNIRKWLV LRNWQWWKLY SKVKPLL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.298 176.300 -0.003 0.000 1.140 1 M CA 0.000 55.305 55.300 0.008 0.000 0.988 1 M CB 0.000 32.604 32.600 0.007 0.000 1.302 2 N N -0.268 118.421 118.700 -0.018 0.000 2.571 2 N HA 0.859 5.608 4.740 0.016 0.000 0.273 2 N C -1.394 174.099 175.510 -0.028 0.000 1.340 2 N CA -0.050 52.982 53.050 -0.031 0.000 0.789 2 N CB 1.758 40.203 38.487 -0.069 0.000 1.514 2 N HN 1.259 nan 8.380 nan 0.000 0.499 3 I N -0.242 120.321 120.570 -0.012 0.000 2.509 3 I HA 0.775 4.955 4.170 0.016 0.000 0.293 3 I C 0.086 176.232 176.117 0.047 0.000 1.020 3 I CA -0.569 60.742 61.300 0.018 0.000 1.088 3 I CB 1.738 39.755 38.000 0.029 0.000 1.267 3 I HN 0.948 nan 8.210 nan 0.000 0.430 4 D N 3.953 124.403 120.400 0.084 0.000 2.747 4 D HA 0.479 5.128 4.640 0.016 0.000 0.218 4 D C -1.406 175.042 176.300 0.247 0.000 1.230 4 D CA -0.583 53.528 54.000 0.183 0.000 0.774 4 D CB 0.659 41.504 40.800 0.075 0.000 1.667 4 D HN 0.470 nan 8.370 nan 0.000 0.499 5 F N 0.567 120.583 119.950 0.109 0.000 2.589 5 F HA 0.529 5.065 4.527 0.016 0.000 0.207 5 F C 2.083 177.933 175.800 0.083 0.000 1.028 5 F CA 0.378 58.421 58.000 0.070 0.000 1.009 5 F CB 1.378 40.408 39.000 0.050 0.000 2.173 5 F HN 0.441 nan 8.300 nan 0.000 0.637 6 S N 0.748 116.035 115.700 -0.688 0.000 2.768 6 S HA 0.025 4.505 4.470 0.016 0.000 0.246 6 S C -0.396 174.129 174.600 -0.124 0.000 1.006 6 S CA -0.417 57.450 58.200 -0.557 0.000 1.075 6 S CB -1.477 61.222 63.200 -0.835 0.000 0.786 6 S HN 0.404 nan 8.310 nan 0.000 0.468 7 D N 2.965 123.386 120.400 0.035 0.000 2.401 7 D HA 0.105 4.755 4.640 0.016 0.000 0.254 7 D C -0.948 175.353 176.300 0.002 0.000 1.192 7 D CA -1.710 52.321 54.000 0.051 0.000 0.885 7 D CB 1.630 42.481 40.800 0.086 0.000 1.147 7 D HN 0.217 nan 8.370 nan 0.000 0.478 8 P HA -0.158 nan 4.420 nan 0.000 0.216 8 P C 0.782 178.041 177.300 -0.068 0.000 1.150 8 P CA 0.755 63.818 63.100 -0.061 0.000 0.837 8 P CB 0.437 32.103 31.700 -0.056 0.000 0.786 9 D N -0.976 119.358 120.400 -0.109 0.000 2.254 9 D HA -0.164 4.485 4.640 0.016 0.000 0.201 9 D C 1.117 177.316 176.300 -0.168 0.000 0.998 9 D CA 1.042 54.930 54.000 -0.186 0.000 0.885 9 D CB -0.569 40.020 40.800 -0.351 0.000 0.915 9 D HN 0.209 nan 8.370 nan 0.000 0.460 10 F N 0.029 119.992 119.950 0.021 0.000 2.695 10 F HA 0.214 4.749 4.527 0.014 0.000 0.303 10 F C 2.007 177.793 175.800 -0.024 0.000 1.091 10 F CA -0.287 57.732 58.000 0.031 0.000 1.300 10 F CB -0.267 38.748 39.000 0.025 0.000 1.071 10 F HN -0.088 nan 8.300 nan 0.000 0.578 11 Q N 0.052 119.880 119.800 0.045 0.000 2.096 11 Q HA -0.254 4.095 4.340 0.016 0.000 0.208 11 Q C 0.884 176.802 176.000 -0.138 0.000 0.993 11 Q CA 2.073 57.790 55.803 -0.144 0.000 0.862 11 Q CB -0.272 28.239 28.738 -0.378 0.000 0.915 11 Q HN 0.541 nan 8.270 nan 0.000 0.416 12 Y N -0.949 119.383 120.300 0.054 0.000 2.583 12 Y HA 0.058 4.619 4.550 0.018 0.000 0.294 12 Y C 0.739 176.664 175.900 0.043 0.000 1.170 12 Y CA -0.832 57.276 58.100 0.014 0.000 1.265 12 Y CB 0.845 39.286 38.460 -0.032 0.000 1.119 12 Y HN 0.189 nan 8.280 nan 0.000 0.522 13 L N -1.198 120.175 121.223 0.250 0.000 2.713 13 L HA 0.408 4.757 4.340 0.016 0.000 0.223 13 L C 1.039 177.981 176.870 0.120 0.000 1.040 13 L CA 0.167 55.152 54.840 0.243 0.000 0.894 13 L CB -0.609 41.729 42.059 0.464 0.000 1.361 13 L HN -0.032 nan 8.230 nan 0.000 0.490 14 A N -0.065 122.789 122.820 0.058 0.000 2.302 14 A HA 0.614 4.944 4.320 0.016 0.000 0.285 14 A C -0.595 176.965 177.584 -0.039 0.000 1.105 14 A CA -0.229 51.759 52.037 -0.082 0.000 0.816 14 A CB 0.806 19.669 19.000 -0.228 0.000 1.067 14 A HN -0.085 nan 8.150 nan 0.000 0.489 15 V N 3.205 123.087 119.914 -0.054 0.000 2.334 15 V HA 0.189 4.319 4.120 0.016 0.000 0.281 15 V C -0.272 175.797 176.094 -0.042 0.000 1.016 15 V CA -0.553 61.727 62.300 -0.033 0.000 0.832 15 V CB 1.280 33.091 31.823 -0.020 0.000 0.999 15 V HN 0.952 nan 8.190 nan 0.000 0.439 16 D N 5.594 125.971 120.400 -0.039 0.000 2.934 16 D HA -0.041 4.608 4.640 0.016 0.000 0.237 16 D C 0.772 177.056 176.300 -0.026 0.000 1.158 16 D CA -0.644 53.333 54.000 -0.038 0.000 0.971 16 D CB 0.115 40.888 40.800 -0.045 0.000 1.123 16 D HN 0.649 nan 8.370 nan 0.000 0.467 17 R N -0.147 120.340 120.500 -0.022 0.000 4.768 17 R HA 0.043 4.393 4.340 0.016 0.000 0.168 17 R C 0.430 176.720 176.300 -0.016 0.000 2.300 17 R CA 0.273 56.362 56.100 -0.017 0.000 1.786 17 R CB -1.521 28.768 30.300 -0.018 0.000 1.241 17 R HN 0.325 nan 8.270 nan 0.000 0.761 18 K N 1.010 121.402 120.400 -0.014 0.000 3.537 18 K HA 0.101 4.430 4.320 0.016 0.000 0.147 18 K C 0.208 176.803 176.600 -0.009 0.000 0.968 18 K CA -0.110 56.171 56.287 -0.010 0.000 0.879 18 K CB 0.120 32.616 32.500 -0.006 0.000 0.691 18 K HN 0.288 nan 8.250 nan 0.000 0.416 19 K N -0.878 119.515 120.400 -0.012 0.000 2.598 19 K HA 0.529 4.858 4.320 0.016 0.000 0.185 19 K C -0.349 176.245 176.600 -0.011 0.000 1.458 19 K CA 1.130 57.409 56.287 -0.014 0.000 1.079 19 K CB 1.030 33.515 32.500 -0.026 0.000 1.253 19 K HN 1.032 nan 8.250 nan 0.000 0.592 20 L N -0.216 121.002 121.223 -0.007 0.000 2.310 20 L HA 0.741 5.090 4.340 0.016 0.000 0.266 20 L C -0.047 176.822 176.870 -0.002 0.000 1.432 20 L CA 0.425 55.264 54.840 -0.002 0.000 0.696 20 L CB -0.175 41.883 42.059 -0.002 0.000 0.898 20 L HN 0.229 nan 8.230 nan 0.000 0.534 21 M N -1.733 117.865 119.600 -0.003 0.000 2.004 21 M HA 0.846 5.335 4.480 0.016 0.000 0.397 21 M C 0.612 176.910 176.300 -0.003 0.000 0.818 21 M CA 1.514 56.809 55.300 -0.008 0.000 1.150 21 M CB -0.528 32.063 32.600 -0.016 0.000 2.281 21 M HN 1.881 nan 8.290 nan 0.000 0.777 26 A N 0.215 123.054 122.820 0.032 0.000 2.583 26 A HA 0.979 5.308 4.320 0.016 0.000 0.298 26 A C -0.247 177.369 177.584 0.054 0.000 1.055 26 A CA -0.006 52.053 52.037 0.038 0.000 0.714 26 A CB 0.274 19.300 19.000 0.042 0.000 1.277 26 A HN 1.894 nan 8.150 nan 0.000 0.406 27 A N 0.743 123.592 122.820 0.047 0.000 2.302 27 A HA 0.846 5.175 4.320 0.016 0.000 0.285 27 A C -0.684 176.967 177.584 0.112 0.000 1.105 27 A CA -0.176 51.899 52.037 0.064 0.000 0.816 27 A CB 0.382 19.395 19.000 0.021 0.000 1.067 27 A HN 1.874 nan 8.150 nan 0.000 0.489 28 F N 0.927 120.858 119.950 -0.032 0.000 2.581 28 F HA 0.558 5.095 4.527 0.016 0.000 0.311 28 F C -1.396 174.385 175.800 -0.032 0.000 1.113 28 F CA -0.655 57.320 58.000 -0.042 0.000 0.935 28 F CB 2.068 41.049 39.000 -0.032 0.000 1.232 28 F HN 0.513 nan 8.300 nan 0.000 0.445 29 D N 3.541 123.310 120.400 -1.052 0.000 2.575 29 D HA 0.261 4.910 4.640 0.016 0.000 0.250 29 D C 0.905 176.643 176.300 -0.936 0.000 1.279 29 D CA 0.024 53.597 54.000 -0.711 0.000 0.925 29 D CB 1.950 42.540 40.800 -0.350 0.000 1.261 29 D HN 0.811 nan 8.370 nan 0.000 0.567 30 G N 3.228 111.660 108.800 -0.614 0.000 2.507 30 G HA2 -0.278 3.692 3.960 0.016 0.000 0.221 30 G HA3 -0.278 3.692 3.960 0.016 0.000 0.221 30 G C 1.355 176.137 174.900 -0.197 0.000 1.119 30 G CA 0.666 45.623 45.100 -0.238 0.000 0.751 30 G HN 0.362 nan 8.290 nan 0.000 0.574 31 K N 0.048 120.342 120.400 -0.177 0.000 2.432 31 K HA 0.096 4.425 4.320 0.016 0.000 0.196 31 K C 1.964 178.466 176.600 -0.163 0.000 1.038 31 K CA 0.729 56.937 56.287 -0.132 0.000 0.986 31 K CB 0.266 32.710 32.500 -0.093 0.000 0.782 31 K HN 0.484 nan 8.250 nan 0.000 0.485 32 K N -0.114 120.144 120.400 -0.237 0.000 2.403 32 K HA 0.089 4.418 4.320 0.016 0.000 0.199 32 K C 0.011 176.458 176.600 -0.256 0.000 1.199 32 K CA -0.055 56.101 56.287 -0.219 0.000 0.924 32 K CB 0.555 32.931 32.500 -0.206 0.000 1.137 32 K HN -0.056 nan 8.250 nan 0.000 0.510 33 N N 1.568 120.038 118.700 -0.384 0.000 2.472 33 N HA 0.157 4.907 4.740 0.016 0.000 0.277 33 N C -0.364 174.959 175.510 -0.312 0.000 1.081 33 N CA 0.123 52.951 53.050 -0.371 0.000 0.973 33 N CB 1.359 39.543 38.487 -0.504 0.000 1.105 33 N HN 0.359 nan 8.380 nan 0.000 0.470 34 C N 0.333 119.441 119.300 -0.320 0.000 3.295 34 C HA 0.582 5.051 4.460 0.016 0.000 0.341 34 C C -1.559 173.227 174.990 -0.341 0.000 1.418 34 C CA -1.388 57.443 59.018 -0.311 0.000 1.240 34 C CB 0.356 28.000 27.740 -0.161 0.000 1.562 34 C HN 0.745 nan 8.230 nan 0.000 0.457 35 W N 1.184 122.442 121.300 -0.071 0.000 2.469 35 W HA 0.655 5.326 4.660 0.019 0.000 0.320 35 W C 0.116 176.682 176.519 0.077 0.000 1.086 35 W CA -0.517 56.816 57.345 -0.021 0.000 1.211 35 W CB 1.899 31.262 29.460 -0.161 0.000 1.298 35 W HN 0.817 nan 8.180 nan 0.000 0.525 36 V N 1.136 121.339 119.914 0.482 0.000 2.962 36 V HA 0.664 4.793 4.120 0.016 0.000 0.313 36 V C -2.756 173.569 176.094 0.384 0.000 1.099 36 V CA -3.548 58.962 62.300 0.350 0.000 0.971 36 V CB 1.651 33.577 31.823 0.171 0.000 1.028 36 V HN 0.284 nan 8.190 nan 0.000 0.430 37 P HA 0.309 nan 4.420 nan 0.000 0.267 37 P C -1.188 176.057 177.300 -0.093 0.000 1.201 37 P CA 0.545 63.568 63.100 -0.129 0.000 0.775 37 P CB 0.270 31.908 31.700 -0.104 0.000 0.854 38 D N -0.408 119.867 120.400 -0.208 0.000 2.591 38 D HA 0.039 4.689 4.640 0.016 0.000 0.222 38 D C 0.866 177.087 176.300 -0.132 0.000 1.360 38 D CA -0.370 53.571 54.000 -0.099 0.000 0.967 38 D CB 0.776 41.564 40.800 -0.020 0.000 1.456 38 D HN 0.348 nan 8.370 nan 0.000 0.588 39 E N 2.339 122.484 120.200 -0.092 0.000 2.267 39 E HA -0.214 4.146 4.350 0.016 0.000 0.197 39 E C 0.666 177.226 176.600 -0.066 0.000 0.998 39 E CA 1.086 57.435 56.400 -0.085 0.000 0.830 39 E CB 0.164 29.829 29.700 -0.058 0.000 0.751 39 E HN 0.330 nan 8.360 nan 0.000 0.491 40 K N -0.619 119.753 120.400 -0.046 0.000 2.374 40 K HA 0.151 4.480 4.320 0.016 0.000 0.202 40 K C 0.558 177.149 176.600 -0.015 0.000 1.040 40 K CA 0.049 56.321 56.287 -0.026 0.000 1.085 40 K CB 0.875 33.369 32.500 -0.009 0.000 0.873 40 K HN -0.029 nan 8.250 nan 0.000 0.539 41 E N -0.486 119.701 120.200 -0.022 0.000 2.801 41 E HA 0.131 4.490 4.350 0.016 0.000 0.212 41 E C 0.721 177.305 176.600 -0.026 0.000 0.963 41 E CA 0.367 56.771 56.400 0.006 0.000 1.247 41 E CB 1.385 31.119 29.700 0.058 0.000 1.076 41 E HN 0.309 nan 8.360 nan 0.000 0.504 42 G N 1.448 110.173 108.800 -0.124 0.000 4.039 42 G HA2 -0.325 3.645 3.960 0.016 0.000 0.220 42 G HA3 -0.325 3.645 3.960 0.016 0.000 0.220 42 G C 0.095 174.633 174.900 -0.604 0.000 1.391 42 G CA 0.534 45.462 45.100 -0.287 0.000 0.920 42 G HN 0.189 nan 8.290 nan 0.000 0.599 43 F N 1.253 121.172 119.950 -0.051 0.000 2.591 43 F HA 0.778 5.314 4.527 0.014 0.000 0.309 43 F C 0.298 176.185 175.800 0.145 0.000 1.098 43 F CA -0.228 57.769 58.000 -0.006 0.000 0.937 43 F CB 2.379 41.250 39.000 -0.214 0.000 1.250 43 F HN 0.649 nan 8.300 nan 0.000 0.447 44 A N 1.266 124.365 122.820 0.464 0.000 2.350 44 A HA 0.650 4.979 4.320 0.016 0.000 0.324 44 A C -0.524 177.327 177.584 0.446 0.000 1.118 44 A CA -0.758 51.520 52.037 0.401 0.000 0.783 44 A CB 1.426 20.548 19.000 0.203 0.000 1.236 44 A HN 0.642 nan 8.150 nan 0.000 0.457 45 S N 0.841 116.699 115.700 0.264 0.000 2.510 45 S HA 0.567 5.046 4.470 0.016 0.000 0.279 45 S C 0.176 174.720 174.600 -0.094 0.000 1.284 45 S CA 0.409 58.525 58.200 -0.141 0.000 1.059 45 S CB -0.134 62.938 63.200 -0.213 0.000 0.901 45 S HN 1.828 nan 8.310 nan 0.000 0.491 46 A N 4.457 127.182 122.820 -0.159 0.000 2.564 46 A HA 0.806 5.135 4.320 0.016 0.000 0.288 46 A C -1.237 176.263 177.584 -0.140 0.000 1.164 46 A CA -0.855 51.122 52.037 -0.099 0.000 0.712 46 A CB 1.310 20.291 19.000 -0.032 0.000 1.303 46 A HN 0.770 nan 8.150 nan 0.000 0.418 47 E N 0.369 120.507 120.200 -0.104 0.000 2.241 47 E HA 0.417 4.776 4.350 0.016 0.000 0.263 47 E C -1.327 175.221 176.600 -0.088 0.000 0.882 47 E CA -0.405 55.925 56.400 -0.117 0.000 0.769 47 E CB 1.995 31.630 29.700 -0.108 0.000 1.185 47 E HN 0.530 nan 8.360 nan 0.000 0.415 48 I N 3.925 124.438 120.570 -0.094 0.000 2.662 48 I HA -0.134 4.046 4.170 0.016 0.000 0.285 48 I C 1.391 177.470 176.117 -0.063 0.000 1.161 48 I CA 0.243 61.499 61.300 -0.072 0.000 1.415 48 I CB 0.442 38.395 38.000 -0.077 0.000 1.385 48 I HN 0.508 nan 8.210 nan 0.000 0.552 49 Q N 4.011 123.783 119.800 -0.048 0.000 2.036 49 Q HA 0.078 4.427 4.340 0.016 0.000 0.195 49 Q C 0.681 176.658 176.000 -0.039 0.000 0.971 49 Q CA 0.960 56.738 55.803 -0.042 0.000 0.826 49 Q CB 0.110 28.828 28.738 -0.032 0.000 0.896 49 Q HN 0.846 nan 8.270 nan 0.000 0.449 50 S N -1.917 113.762 115.700 -0.035 0.000 2.752 50 S HA 0.671 5.150 4.470 0.016 0.000 0.284 50 S C -0.894 173.687 174.600 -0.031 0.000 1.189 50 S CA -0.677 57.504 58.200 -0.032 0.000 0.835 50 S CB 2.003 65.187 63.200 -0.026 0.000 1.192 50 S HN 0.030 nan 8.310 nan 0.000 0.506 51 S N -0.334 115.349 115.700 -0.029 0.000 2.540 51 S HA 0.688 5.167 4.470 0.016 0.000 0.275 51 S C -1.661 172.924 174.600 -0.023 0.000 1.123 51 S CA -0.607 57.576 58.200 -0.028 0.000 0.907 51 S CB 1.511 64.692 63.200 -0.033 0.000 1.081 51 S HN 0.834 nan 8.310 nan 0.000 0.476 52 K N 3.121 123.509 120.400 -0.020 0.000 2.895 52 K HA 0.477 4.806 4.320 0.016 0.000 0.191 52 K C 0.578 177.168 176.600 -0.016 0.000 1.117 52 K CA 0.283 56.560 56.287 -0.017 0.000 0.988 52 K CB 0.033 32.525 32.500 -0.014 0.000 1.181 52 K HN 1.132 nan 8.250 nan 0.000 0.598 53 G N 2.306 111.094 108.800 -0.019 0.000 2.536 53 G HA2 -0.352 3.617 3.960 0.016 0.000 0.280 53 G HA3 -0.352 3.617 3.960 0.016 0.000 0.280 53 G C 0.426 175.315 174.900 -0.020 0.000 1.152 53 G CA 0.358 45.447 45.100 -0.019 0.000 0.970 53 G HN 0.586 nan 8.290 nan 0.000 0.549 54 D N 1.784 122.175 120.400 -0.016 0.000 2.363 54 D HA 0.029 4.678 4.640 0.016 0.000 0.220 54 D C 0.843 177.136 176.300 -0.012 0.000 0.994 54 D CA 0.920 54.912 54.000 -0.014 0.000 0.890 54 D CB 0.132 40.926 40.800 -0.011 0.000 0.906 54 D HN 0.489 nan 8.370 nan 0.000 0.530 55 E N 1.029 121.222 120.200 -0.012 0.000 2.133 55 E HA 0.231 4.591 4.350 0.016 0.000 0.274 55 E C -0.726 175.867 176.600 -0.013 0.000 0.930 55 E CA -0.631 55.763 56.400 -0.010 0.000 0.770 55 E CB 0.871 30.566 29.700 -0.009 0.000 1.104 55 E HN -0.043 nan 8.360 nan 0.000 0.403 56 I N 3.376 123.939 120.570 -0.012 0.000 2.493 56 I HA 0.262 4.442 4.170 0.016 0.000 0.298 56 I C 0.168 176.276 176.117 -0.014 0.000 0.998 56 I CA -0.743 60.547 61.300 -0.017 0.000 1.137 56 I CB 1.667 39.656 38.000 -0.019 0.000 1.310 56 I HN 0.463 nan 8.210 nan 0.000 0.445 57 T N 5.569 120.112 114.554 -0.019 0.000 2.767 57 T HA 0.604 4.963 4.350 0.016 0.000 0.284 57 T C 0.052 174.739 174.700 -0.022 0.000 0.973 57 T CA -0.471 61.619 62.100 -0.017 0.000 0.996 57 T CB 1.504 70.361 68.868 -0.018 0.000 0.927 57 T HN 0.498 nan 8.240 nan 0.000 0.456 58 V N 0.942 120.846 119.914 -0.017 0.000 3.074 58 V HA 0.759 4.888 4.120 0.016 0.000 0.314 58 V C -0.652 175.430 176.094 -0.019 0.000 1.117 58 V CA -1.345 60.941 62.300 -0.023 0.000 1.014 58 V CB 2.095 33.907 31.823 -0.019 0.000 1.057 58 V HN 0.761 nan 8.190 nan 0.000 0.438 59 K N 2.320 122.703 120.400 -0.027 0.000 2.307 59 K HA 0.521 4.850 4.320 0.016 0.000 0.263 59 K C -0.906 175.683 176.600 -0.020 0.000 0.973 59 K CA -0.816 55.457 56.287 -0.023 0.000 0.846 59 K CB 1.326 33.808 32.500 -0.031 0.000 1.100 59 K HN 0.729 nan 8.250 nan 0.000 0.438 60 I N 6.286 126.853 120.570 -0.005 0.000 2.406 60 I HA -0.062 4.117 4.170 0.016 0.000 0.293 60 I C 1.668 177.786 176.117 0.001 0.000 1.101 60 I CA 0.213 61.517 61.300 0.007 0.000 1.334 60 I CB 0.700 38.712 38.000 0.020 0.000 1.421 60 I HN 0.625 nan 8.210 nan 0.000 0.513 61 V N 6.974 126.882 119.914 -0.011 0.000 2.370 61 V HA -0.359 3.770 4.120 0.016 0.000 0.252 61 V C 2.459 178.558 176.094 0.008 0.000 1.068 61 V CA 2.345 64.637 62.300 -0.013 0.000 1.061 61 V CB -0.720 31.083 31.823 -0.034 0.000 0.656 61 V HN 0.929 nan 8.190 nan 0.000 0.455 62 A N 1.279 124.114 122.820 0.025 0.000 1.835 62 A HA -0.228 4.102 4.320 0.016 0.000 0.215 62 A C 1.822 179.421 177.584 0.025 0.000 1.199 62 A CA 2.152 54.209 52.037 0.035 0.000 0.615 62 A CB -0.571 18.459 19.000 0.051 0.000 0.838 62 A HN 0.729 nan 8.150 nan 0.000 0.444 63 D N -3.189 117.224 120.400 0.021 0.000 2.431 63 D HA 0.281 4.930 4.640 0.016 0.000 0.213 63 D C 0.489 176.794 176.300 0.008 0.000 1.130 63 D CA 0.741 54.750 54.000 0.015 0.000 0.834 63 D CB 0.101 40.911 40.800 0.016 0.000 0.985 63 D HN 0.171 nan 8.370 nan 0.000 0.504 64 S N -1.119 114.584 115.700 0.005 0.000 2.929 64 S HA -0.215 4.264 4.470 0.016 0.000 0.271 64 S C 0.588 175.187 174.600 -0.001 0.000 1.295 64 S CA 0.750 58.949 58.200 -0.001 0.000 1.277 64 S CB -2.127 61.072 63.200 -0.002 0.000 1.557 64 S HN 0.765 nan 8.310 nan 0.000 0.666 65 S N 0.527 116.229 115.700 0.003 0.000 2.580 65 S HA 0.523 5.003 4.470 0.016 0.000 0.266 65 S C 0.201 174.800 174.600 -0.000 0.000 1.354 65 S CA -0.063 58.138 58.200 0.002 0.000 1.008 65 S CB 1.001 64.204 63.200 0.006 0.000 0.898 65 S HN 0.281 nan 8.310 nan 0.000 0.555 66 T N 1.843 116.396 114.554 -0.002 0.000 2.856 66 T HA 0.725 5.085 4.350 0.016 0.000 0.283 66 T C -0.206 174.493 174.700 -0.002 0.000 1.008 66 T CA -0.808 61.290 62.100 -0.004 0.000 0.997 66 T CB 1.074 69.938 68.868 -0.007 0.000 0.992 66 T HN 0.887 nan 8.240 nan 0.000 0.454 67 R N 0.328 120.827 120.500 -0.001 0.000 2.752 67 R HA 0.716 5.065 4.340 0.016 0.000 0.271 67 R C -1.485 174.815 176.300 -0.001 0.000 1.026 67 R CA -0.858 55.242 56.100 0.000 0.000 0.901 67 R CB 1.216 31.519 30.300 0.005 0.000 1.243 67 R HN 0.454 nan 8.270 nan 0.000 0.463 68 T N 1.268 115.822 114.554 -0.000 0.000 2.824 68 T HA 0.562 4.922 4.350 0.016 0.000 0.280 68 T C -0.990 173.712 174.700 0.003 0.000 0.995 68 T CA -0.384 61.715 62.100 -0.001 0.000 1.009 68 T CB 1.293 70.159 68.868 -0.003 0.000 0.955 68 T HN 0.519 nan 8.240 nan 0.000 0.452 69 V N 1.627 121.544 119.914 0.005 0.000 2.808 69 V HA 0.622 4.752 4.120 0.016 0.000 0.308 69 V C -0.515 175.584 176.094 0.009 0.000 1.099 69 V CA -1.393 60.914 62.300 0.012 0.000 0.920 69 V CB 1.628 33.466 31.823 0.026 0.000 1.014 69 V HN 0.757 nan 8.190 nan 0.000 0.425 70 K N 2.500 122.906 120.400 0.010 0.000 2.489 70 K HA 0.103 4.432 4.320 0.016 0.000 0.278 70 K C 0.966 177.571 176.600 0.008 0.000 1.000 70 K CA 0.045 56.335 56.287 0.006 0.000 1.012 70 K CB 0.864 33.368 32.500 0.007 0.000 0.903 70 K HN 0.809 nan 8.250 nan 0.000 0.485 71 K N 2.356 122.755 120.400 -0.002 0.000 2.211 71 K HA -0.207 4.122 4.320 0.016 0.000 0.204 71 K C 0.379 176.977 176.600 -0.003 0.000 1.047 71 K CA 1.943 58.226 56.287 -0.008 0.000 0.935 71 K CB 0.150 32.639 32.500 -0.018 0.000 0.728 71 K HN 0.510 nan 8.250 nan 0.000 0.452 72 D N 0.517 120.918 120.400 0.003 0.000 2.224 72 D HA -0.108 4.541 4.640 0.016 0.000 0.205 72 D C 1.006 177.322 176.300 0.027 0.000 0.965 72 D CA 0.907 54.912 54.000 0.008 0.000 0.852 72 D CB 0.001 40.805 40.800 0.007 0.000 0.947 72 D HN 0.185 nan 8.370 nan 0.000 0.494 73 D N 0.087 120.511 120.400 0.041 0.000 2.363 73 D HA 0.039 4.688 4.640 0.016 0.000 0.220 73 D C 0.494 176.861 176.300 0.112 0.000 0.994 73 D CA 0.128 54.176 54.000 0.080 0.000 0.890 73 D CB 0.241 41.087 40.800 0.077 0.000 0.906 73 D HN 0.291 nan 8.370 nan 0.000 0.530 74 I N 1.579 122.189 120.570 0.067 0.000 2.496 74 I HA 0.013 4.192 4.170 0.016 0.000 0.285 74 I C 0.562 176.701 176.117 0.037 0.000 1.080 74 I CA 0.085 61.424 61.300 0.065 0.000 1.404 74 I CB 0.590 38.599 38.000 0.015 0.000 1.403 74 I HN -0.311 nan 8.210 nan 0.000 0.539 75 Q N 4.405 124.236 119.800 0.053 0.000 2.309 75 Q HA 0.377 4.726 4.340 0.016 0.000 0.264 75 Q C -0.655 175.333 176.000 -0.019 0.000 1.008 75 Q CA -0.799 54.992 55.803 -0.019 0.000 0.853 75 Q CB 2.269 30.925 28.738 -0.136 0.000 1.314 75 Q HN 0.587 nan 8.270 nan 0.000 0.448 76 S N 2.341 117.939 115.700 -0.171 0.000 2.537 76 S HA 0.079 4.559 4.470 0.016 0.000 0.286 76 S C -0.123 174.371 174.600 -0.175 0.000 1.299 76 S CA 0.130 58.084 58.200 -0.410 0.000 1.067 76 S CB 0.182 62.695 63.200 -1.144 0.000 0.864 76 S HN 0.496 nan 8.310 nan 0.000 0.494 77 M N 4.200 123.701 119.600 -0.164 0.000 2.264 77 M HA 0.288 4.777 4.480 0.016 0.000 0.352 77 M C -0.318 176.111 176.300 0.215 0.000 1.173 77 M CA -0.602 54.678 55.300 -0.034 0.000 1.075 77 M CB 0.577 32.938 32.600 -0.398 0.000 1.621 77 M HN 0.449 nan 8.290 nan 0.000 0.457 78 N N 5.134 124.010 118.700 0.294 0.000 2.503 78 N HA 0.446 5.196 4.740 0.016 0.000 0.267 78 N C -2.532 172.939 175.510 -0.065 0.000 1.214 78 N CA -0.795 52.427 53.050 0.287 0.000 0.959 78 N CB 0.664 39.317 38.487 0.276 0.000 1.142 78 N HN 0.501 nan 8.380 nan 0.000 0.455 79 P HA 0.237 nan 4.420 nan 0.000 0.276 79 P C -2.074 174.985 177.300 -0.402 0.000 1.244 79 P CA -1.214 61.340 63.100 -0.910 0.000 0.801 79 P CB 0.306 31.642 31.700 -0.607 0.000 1.006 80 P HA -0.218 nan 4.420 nan 0.000 0.219 80 P C 1.395 178.618 177.300 -0.128 0.000 1.145 80 P CA 2.094 65.100 63.100 -0.157 0.000 0.813 80 P CB -0.215 31.419 31.700 -0.111 0.000 0.771 81 K N -0.900 119.344 120.400 -0.260 0.000 2.148 81 K HA -0.091 4.238 4.320 0.016 0.000 0.204 81 K C 1.119 177.514 176.600 -0.342 0.000 1.050 81 K CA 1.340 57.412 56.287 -0.357 0.000 0.942 81 K CB -1.051 31.101 32.500 -0.581 0.000 0.724 81 K HN 0.116 nan 8.250 nan 0.000 0.446 82 F N 2.399 122.337 119.950 -0.020 0.000 2.676 82 F HA 0.180 4.717 4.527 0.016 0.000 0.300 82 F C 0.260 176.090 175.800 0.051 0.000 1.160 82 F CA -0.547 57.463 58.000 0.017 0.000 1.401 82 F CB -0.013 39.002 39.000 0.025 0.000 1.037 82 F HN -0.061 nan 8.300 nan 0.000 0.522 83 E N 1.626 121.922 120.200 0.161 0.000 2.417 83 E HA -0.052 4.307 4.350 0.016 0.000 0.261 83 E C 0.601 177.248 176.600 0.078 0.000 1.000 83 E CA 0.174 56.656 56.400 0.136 0.000 0.919 83 E CB 0.384 30.140 29.700 0.094 0.000 0.955 83 E HN 0.317 nan 8.360 nan 0.000 0.455 84 K N 0.935 121.356 120.400 0.035 0.000 3.016 84 K HA -0.247 4.082 4.320 0.016 0.000 0.262 84 K C 0.202 176.824 176.600 0.037 0.000 1.043 84 K CA 0.040 56.328 56.287 0.003 0.000 0.761 84 K CB -1.172 31.321 32.500 -0.011 0.000 1.230 84 K HN 0.314 nan 8.250 nan 0.000 0.485 85 L N 1.557 122.832 121.223 0.086 0.000 2.514 85 L HA -0.080 4.270 4.340 0.016 0.000 0.280 85 L C 1.580 178.490 176.870 0.066 0.000 1.223 85 L CA 0.954 55.857 54.840 0.106 0.000 0.864 85 L CB 0.548 42.712 42.059 0.176 0.000 1.118 85 L HN 0.143 nan 8.230 nan 0.000 0.494 86 E N 1.127 121.363 120.200 0.061 0.000 2.152 86 E HA -0.076 4.283 4.350 0.016 0.000 0.192 86 E C -0.234 176.414 176.600 0.080 0.000 0.983 86 E CA 0.802 57.219 56.400 0.028 0.000 0.818 86 E CB 0.214 29.928 29.700 0.024 0.000 0.758 86 E HN 0.525 nan 8.360 nan 0.000 0.467 87 D N -0.534 119.953 120.400 0.145 0.000 2.542 87 D HA 0.160 4.809 4.640 0.016 0.000 0.252 87 D C 0.303 176.682 176.300 0.132 0.000 1.222 87 D CA -0.255 53.867 54.000 0.204 0.000 0.895 87 D CB 1.153 42.097 40.800 0.241 0.000 1.207 87 D HN -0.117 nan 8.370 nan 0.000 0.558 88 M N 2.066 121.735 119.600 0.116 0.000 2.630 88 M HA 0.026 4.515 4.480 0.016 0.000 0.254 88 M C 1.782 178.096 176.300 0.022 0.000 1.092 88 M CA 0.407 55.740 55.300 0.055 0.000 1.087 88 M CB 0.192 32.822 32.600 0.050 0.000 1.453 88 M HN 0.447 nan 8.290 nan 0.000 0.509 89 A N 0.777 123.632 122.820 0.059 0.000 2.121 89 A HA -0.092 4.238 4.320 0.016 0.000 0.218 89 A C 1.711 179.287 177.584 -0.012 0.000 1.154 89 A CA 1.227 53.284 52.037 0.033 0.000 0.679 89 A CB -0.451 18.587 19.000 0.063 0.000 0.795 89 A HN 0.468 nan 8.150 nan 0.000 0.458 90 N N -0.607 118.089 118.700 -0.007 0.000 2.422 90 N HA 0.110 4.859 4.740 0.016 0.000 0.181 90 N C 0.690 176.070 175.510 -0.215 0.000 1.080 90 N CA 0.246 53.283 53.050 -0.022 0.000 0.893 90 N CB -0.160 38.380 38.487 0.089 0.000 0.973 90 N HN 0.530 nan 8.380 nan 0.000 0.456 91 M N -0.192 119.188 119.600 -0.366 0.000 2.043 91 M HA 0.012 4.502 4.480 0.016 0.000 0.272 91 M C 1.530 177.367 176.300 -0.772 0.000 1.279 91 M CA 0.439 55.193 55.300 -0.910 0.000 1.109 91 M CB 0.268 32.558 32.600 -0.517 0.000 1.377 91 M HN -0.131 nan 8.290 nan 0.000 0.469 92 T N -1.306 112.701 114.554 -0.911 0.000 2.953 92 T HA 0.060 4.419 4.350 0.016 0.000 0.247 92 T C -0.414 173.857 174.700 -0.716 0.000 1.029 92 T CA 1.056 62.731 62.100 -0.709 0.000 1.144 92 T CB 0.027 68.456 68.868 -0.731 0.000 0.870 92 T HN 0.343 nan 8.240 nan 0.000 0.446 93 Y N 0.678 120.891 120.300 -0.145 0.000 2.331 93 Y HA 0.543 5.102 4.550 0.015 0.000 0.338 93 Y C -0.087 175.772 175.900 -0.067 0.000 0.976 93 Y CA -1.186 56.877 58.100 -0.062 0.000 1.137 93 Y CB 0.943 39.405 38.460 0.003 0.000 1.172 93 Y HN 0.002 nan 8.280 nan 0.000 0.478 94 L N 5.616 126.882 121.223 0.072 0.000 2.709 94 L HA 0.312 4.662 4.340 0.016 0.000 0.236 94 L C -0.952 175.930 176.870 0.020 0.000 1.266 94 L CA -0.371 54.482 54.840 0.022 0.000 0.987 94 L CB -0.337 41.718 42.059 -0.006 0.000 1.306 94 L HN 0.778 nan 8.230 nan 0.000 0.467 95 N N -1.975 116.732 118.700 0.011 0.000 2.471 95 N HA 0.238 4.987 4.740 0.016 0.000 0.288 95 N C 0.573 176.008 175.510 -0.124 0.000 1.220 95 N CA -0.872 52.149 53.050 -0.049 0.000 0.893 95 N CB 0.724 39.173 38.487 -0.062 0.000 1.256 95 N HN 0.032 nan 8.380 nan 0.000 0.534 96 E N -0.239 119.874 120.200 -0.146 0.000 2.086 96 E HA -0.311 4.048 4.350 0.016 0.000 0.200 96 E C 1.660 178.068 176.600 -0.321 0.000 1.012 96 E CA 2.009 58.318 56.400 -0.151 0.000 0.812 96 E CB -0.399 29.280 29.700 -0.035 0.000 0.743 96 E HN 0.706 nan 8.360 nan 0.000 0.453 97 A N 1.004 123.393 122.820 -0.718 0.000 1.902 97 A HA -0.163 4.166 4.320 0.016 0.000 0.217 97 A C 2.299 179.361 177.584 -0.870 0.000 1.181 97 A CA 1.823 53.123 52.037 -1.227 0.000 0.623 97 A CB -0.275 17.575 19.000 -1.918 0.000 0.818 97 A HN 0.171 nan 8.150 nan 0.000 0.443 98 S N -0.873 114.574 115.700 -0.421 0.000 2.501 98 S HA 0.048 4.528 4.470 0.016 0.000 0.220 98 S C 1.599 176.200 174.600 0.001 0.000 0.997 98 S CA 0.774 58.936 58.200 -0.063 0.000 0.919 98 S CB 0.157 63.469 63.200 0.187 0.000 0.778 98 S HN 0.276 nan 8.310 nan 0.000 0.523 99 V N 1.907 121.778 119.914 -0.071 0.000 2.488 99 V HA -0.023 4.106 4.120 0.016 0.000 0.246 99 V C 2.139 178.206 176.094 -0.045 0.000 1.046 99 V CA 1.114 63.392 62.300 -0.036 0.000 1.053 99 V CB -0.379 31.414 31.823 -0.050 0.000 0.679 99 V HN 0.432 nan 8.190 nan 0.000 0.458 100 L N -0.448 120.722 121.223 -0.088 0.000 2.093 100 L HA -0.172 4.177 4.340 0.016 0.000 0.208 100 L C 2.255 179.107 176.870 -0.029 0.000 1.085 100 L CA 2.197 56.997 54.840 -0.067 0.000 0.755 100 L CB -0.916 41.103 42.059 -0.067 0.000 0.904 100 L HN 0.441 nan 8.230 nan 0.000 0.435 101 Y N 0.305 120.498 120.300 -0.178 0.000 2.200 101 Y HA -0.205 4.355 4.550 0.016 0.000 0.290 101 Y C 2.601 178.525 175.900 0.040 0.000 1.137 101 Y CA 2.020 60.086 58.100 -0.057 0.000 1.163 101 Y CB -0.491 37.991 38.460 0.036 0.000 0.988 101 Y HN 0.448 nan 8.280 nan 0.000 0.518 102 N N 0.228 118.930 118.700 0.003 0.000 2.142 102 N HA -0.163 4.586 4.740 0.016 0.000 0.186 102 N C 1.834 177.293 175.510 -0.085 0.000 1.023 102 N CA 1.574 54.588 53.050 -0.060 0.000 0.852 102 N CB -0.188 38.328 38.487 0.048 0.000 0.998 102 N HN 0.446 nan 8.380 nan 0.000 0.424 103 L N 0.744 121.935 121.223 -0.054 0.000 2.027 103 L HA -0.082 4.268 4.340 0.016 0.000 0.206 103 L C 2.864 179.717 176.870 -0.028 0.000 1.074 103 L CA 0.841 55.654 54.840 -0.045 0.000 0.745 103 L CB -0.514 41.510 42.059 -0.059 0.000 0.898 103 L HN 0.175 nan 8.230 nan 0.000 0.433 104 R N -0.021 120.453 120.500 -0.044 0.000 2.081 104 R HA -0.142 4.207 4.340 0.016 0.000 0.235 104 R C 2.448 178.736 176.300 -0.019 0.000 1.131 104 R CA 1.707 57.813 56.100 0.010 0.000 0.960 104 R CB -0.074 30.233 30.300 0.011 0.000 0.856 104 R HN 0.258 nan 8.270 nan 0.000 0.436 105 S N 0.388 115.982 115.700 -0.176 0.000 2.353 105 S HA -0.132 4.348 4.470 0.016 0.000 0.222 105 S C 1.849 176.397 174.600 -0.087 0.000 1.035 105 S CA 1.397 59.474 58.200 -0.205 0.000 1.025 105 S CB -0.183 62.782 63.200 -0.392 0.000 0.902 105 S HN 0.419 nan 8.310 nan 0.000 0.440 106 R N -0.619 119.843 120.500 -0.063 0.000 2.096 106 R HA -0.078 4.271 4.340 0.016 0.000 0.235 106 R C 2.241 178.546 176.300 0.007 0.000 1.127 106 R CA 1.410 57.495 56.100 -0.024 0.000 0.968 106 R CB -0.438 29.851 30.300 -0.019 0.000 0.861 106 R HN 0.445 nan 8.270 nan 0.000 0.440 107 Y N 1.937 122.181 120.300 -0.094 0.000 2.114 107 Y HA -0.222 4.339 4.550 0.019 0.000 0.284 107 Y C 2.507 178.364 175.900 -0.072 0.000 1.143 107 Y CA 1.945 59.989 58.100 -0.094 0.000 1.135 107 Y CB -0.615 37.793 38.460 -0.086 0.000 0.980 107 Y HN 0.102 nan 8.280 nan 0.000 0.499 108 T N -3.060 111.438 114.554 -0.093 0.000 3.025 108 T HA -0.102 4.258 4.350 0.016 0.000 0.270 108 T C 1.663 176.276 174.700 -0.146 0.000 1.126 108 T CA 1.305 63.307 62.100 -0.164 0.000 1.105 108 T CB -0.548 68.296 68.868 -0.040 0.000 0.884 108 T HN 0.249 nan 8.240 nan 0.000 0.522 109 S N 0.399 116.036 115.700 -0.106 0.000 2.605 109 S HA 0.469 4.949 4.470 0.016 0.000 0.217 109 S C 1.691 176.263 174.600 -0.047 0.000 0.958 109 S CA 0.104 58.272 58.200 -0.054 0.000 0.919 109 S CB -0.159 63.027 63.200 -0.023 0.000 0.780 109 S HN 0.941 nan 8.310 nan 0.000 0.507 110 G N 1.461 110.156 108.800 -0.174 0.000 2.159 110 G HA2 -0.231 3.738 3.960 0.016 0.000 0.256 110 G HA3 -0.231 3.738 3.960 0.016 0.000 0.256 110 G C -0.069 174.733 174.900 -0.164 0.000 0.977 110 G CA -0.197 44.764 45.100 -0.231 0.000 0.652 110 G HN 0.486 nan 8.290 nan 0.000 0.531 111 L N 1.486 122.653 121.223 -0.093 0.000 2.272 111 L HA 0.493 4.843 4.340 0.016 0.000 0.284 111 L C 1.890 178.714 176.870 -0.076 0.000 1.045 111 L CA -0.662 54.142 54.840 -0.061 0.000 0.842 111 L CB 0.795 42.844 42.059 -0.017 0.000 1.224 111 L HN 0.334 nan 8.230 nan 0.000 0.430 112 I N -1.280 119.169 120.570 -0.201 0.000 3.603 112 I HA 0.099 4.279 4.170 0.016 0.000 0.297 112 I C -0.189 175.672 176.117 -0.427 0.000 1.269 112 I CA 0.265 61.397 61.300 -0.281 0.000 1.361 112 I CB 0.083 37.821 38.000 -0.436 0.000 1.063 112 I HN 0.248 nan 8.210 nan 0.000 0.448 113 Y N 1.868 122.094 120.300 -0.123 0.000 2.341 113 Y HA 0.641 5.194 4.550 0.005 0.000 0.337 113 Y C -0.046 175.735 175.900 -0.198 0.000 1.014 113 Y CA -0.954 57.047 58.100 -0.165 0.000 1.111 113 Y CB 1.756 40.072 38.460 -0.241 0.000 1.194 113 Y HN -0.081 nan 8.280 nan 0.000 0.462 114 T N 3.002 117.550 114.554 -0.009 0.000 2.956 114 T HA 0.424 4.784 4.350 0.016 0.000 0.312 114 T C -1.316 173.376 174.700 -0.014 0.000 1.151 114 T CA -0.851 61.191 62.100 -0.097 0.000 1.024 114 T CB 0.904 69.766 68.868 -0.011 0.000 1.140 114 T HN 0.173 nan 8.240 nan 0.000 0.473 115 Y N 0.751 121.125 120.300 0.124 0.000 2.480 115 Y HA 0.738 5.295 4.550 0.011 0.000 0.323 115 Y C 1.022 176.997 175.900 0.124 0.000 1.267 115 Y CA -1.498 56.682 58.100 0.133 0.000 1.336 115 Y CB 1.306 39.837 38.460 0.119 0.000 1.361 115 Y HN 0.594 nan 8.280 nan 0.000 0.518 116 S N 0.354 116.277 115.700 0.371 0.000 2.612 116 S HA 0.482 4.962 4.470 0.016 0.000 0.167 116 S C -0.052 174.723 174.600 0.292 0.000 0.961 116 S CA 0.091 58.446 58.200 0.257 0.000 1.085 116 S CB -0.753 62.566 63.200 0.198 0.000 1.477 116 S HN 1.364 nan 8.310 nan 0.000 0.413 117 G N 3.155 112.074 108.800 0.199 0.000 2.527 117 G HA2 -0.264 3.705 3.960 0.016 0.000 0.268 117 G HA3 -0.264 3.705 3.960 0.016 0.000 0.268 117 G C 0.529 175.459 174.900 0.051 0.000 1.175 117 G CA 0.235 45.413 45.100 0.130 0.000 0.962 117 G HN 0.838 nan 8.290 nan 0.000 0.560 118 L N 0.585 121.777 121.223 -0.052 0.000 2.551 118 L HA 0.280 4.629 4.340 0.016 0.000 0.228 118 L C 0.956 177.688 176.870 -0.230 0.000 1.153 118 L CA 0.147 54.861 54.840 -0.209 0.000 0.851 118 L CB -0.294 41.578 42.059 -0.311 0.000 0.959 118 L HN 0.247 nan 8.230 nan 0.000 0.451 119 F N -1.111 118.908 119.950 0.115 0.000 2.384 119 F HA 0.237 4.766 4.527 0.005 0.000 0.338 119 F C 0.470 176.409 175.800 0.232 0.000 1.103 119 F CA -0.720 57.387 58.000 0.179 0.000 1.157 119 F CB 0.797 39.886 39.000 0.149 0.000 1.167 119 F HN -0.221 nan 8.300 nan 0.000 0.529 120 C N 5.653 125.224 119.300 0.451 0.000 2.319 120 C HA 0.776 5.246 4.460 0.016 0.000 0.323 120 C C -0.494 174.702 174.990 0.344 0.000 1.277 120 C CA -0.717 58.581 59.018 0.467 0.000 1.517 120 C CB -1.082 26.907 27.740 0.415 0.000 2.206 120 C HN 0.618 nan 8.230 nan 0.000 0.486 121 I N 5.425 126.161 120.570 0.276 0.000 2.392 121 I HA 0.646 4.826 4.170 0.016 0.000 0.295 121 I C 0.554 176.765 176.117 0.157 0.000 0.985 121 I CA 0.092 61.490 61.300 0.164 0.000 1.221 121 I CB 1.594 39.645 38.000 0.085 0.000 1.366 121 I HN 0.826 nan 8.210 nan 0.000 0.467 122 A N 5.919 128.792 122.820 0.088 0.000 2.335 122 A HA 0.759 5.088 4.320 0.016 0.000 0.304 122 A C -0.987 176.515 177.584 -0.137 0.000 1.118 122 A CA -0.582 51.445 52.037 -0.016 0.000 0.757 122 A CB 0.984 20.052 19.000 0.114 0.000 1.188 122 A HN 0.402 nan 8.150 nan 0.000 0.460 123 V N 3.240 123.019 119.914 -0.226 0.000 2.407 123 V HA 0.181 4.310 4.120 0.016 0.000 0.278 123 V C 0.558 176.498 176.094 -0.258 0.000 1.037 123 V CA -0.912 61.214 62.300 -0.291 0.000 0.900 123 V CB 1.224 32.787 31.823 -0.433 0.000 0.983 123 V HN 0.902 nan 8.190 nan 0.000 0.459 124 N N 7.442 125.980 118.700 -0.270 0.000 2.417 124 N HA 0.062 4.812 4.740 0.016 0.000 0.272 124 N C -1.581 173.838 175.510 -0.151 0.000 1.304 124 N CA -1.364 51.510 53.050 -0.293 0.000 0.906 124 N CB 1.434 39.638 38.487 -0.471 0.000 1.135 124 N HN 0.287 nan 8.380 nan 0.000 0.483 125 P HA -0.096 nan 4.420 nan 0.000 0.214 125 P C -0.274 177.107 177.300 0.136 0.000 1.163 125 P CA 1.269 64.406 63.100 0.062 0.000 0.883 125 P CB -0.026 31.634 31.700 -0.067 0.000 0.788 126 Y N -2.054 118.264 120.300 0.029 0.000 4.644 126 Y HA -0.232 4.332 4.550 0.023 0.000 0.241 126 Y C 0.641 176.538 175.900 -0.005 0.000 1.077 126 Y CA 0.580 58.691 58.100 0.017 0.000 2.080 126 Y CB -2.054 36.426 38.460 0.032 0.000 1.613 126 Y HN 0.209 nan 8.280 nan 0.000 0.686 127 R N -1.038 119.514 120.500 0.087 0.000 2.692 127 R HA 0.715 5.065 4.340 0.016 0.000 0.269 127 R C -1.073 175.232 176.300 0.009 0.000 1.030 127 R CA -1.346 54.777 56.100 0.038 0.000 0.882 127 R CB 1.294 31.591 30.300 -0.005 0.000 1.250 127 R HN -0.014 nan 8.270 nan 0.000 0.465 128 R N 1.858 122.370 120.500 0.020 0.000 2.340 128 R HA 0.407 4.756 4.340 0.016 0.000 0.300 128 R C -0.319 175.990 176.300 0.015 0.000 1.069 128 R CA -0.499 55.627 56.100 0.043 0.000 0.984 128 R CB 0.625 30.963 30.300 0.063 0.000 1.003 128 R HN 0.460 nan 8.270 nan 0.000 0.459 129 L N 3.837 125.079 121.223 0.032 0.000 2.322 129 L HA 0.432 4.781 4.340 0.016 0.000 0.269 129 L C -1.308 175.603 176.870 0.069 0.000 1.012 129 L CA -1.886 52.930 54.840 -0.040 0.000 0.815 129 L CB 2.082 44.025 42.059 -0.194 0.000 1.295 129 L HN 0.429 nan 8.230 nan 0.000 0.438 130 P HA 0.105 nan 4.420 nan 0.000 0.253 130 P C 0.708 178.054 177.300 0.076 0.000 1.459 130 P CA 0.241 63.422 63.100 0.136 0.000 0.908 130 P CB 0.001 31.805 31.700 0.173 0.000 1.470 131 I N -5.701 114.817 120.570 -0.088 0.000 3.812 131 I HA 0.146 4.326 4.170 0.016 0.000 0.320 131 I C 0.290 176.268 176.117 -0.230 0.000 1.276 131 I CA -0.070 61.120 61.300 -0.184 0.000 1.164 131 I CB -0.526 37.274 38.000 -0.334 0.000 1.009 131 I HN -0.248 nan 8.210 nan 0.000 0.431 132 Y N 1.538 121.987 120.300 0.249 0.000 2.584 132 Y HA 0.241 4.803 4.550 0.020 0.000 0.254 132 Y C 1.524 177.643 175.900 0.365 0.000 1.177 132 Y CA -0.813 57.516 58.100 0.383 0.000 1.216 132 Y CB -0.462 38.170 38.460 0.287 0.000 1.172 132 Y HN 0.166 nan 8.280 nan 0.000 0.529 133 T N -2.728 112.021 114.554 0.325 0.000 2.856 133 T HA -0.028 4.331 4.350 0.016 0.000 0.306 133 T C 1.148 175.949 174.700 0.169 0.000 1.062 133 T CA -0.271 61.952 62.100 0.206 0.000 1.083 133 T CB 0.978 69.922 68.868 0.127 0.000 0.984 133 T HN 0.225 nan 8.240 nan 0.000 0.542 134 D N 0.551 121.006 120.400 0.090 0.000 2.218 134 D HA -0.103 4.546 4.640 0.016 0.000 0.204 134 D C 2.054 178.367 176.300 0.022 0.000 0.976 134 D CA 1.072 55.089 54.000 0.029 0.000 0.853 134 D CB -0.012 40.787 40.800 -0.001 0.000 0.939 134 D HN 0.631 nan 8.370 nan 0.000 0.481 135 S N -0.309 115.411 115.700 0.033 0.000 2.383 135 S HA -0.099 4.380 4.470 0.016 0.000 0.227 135 S C 2.117 176.726 174.600 0.016 0.000 1.026 135 S CA 0.556 58.760 58.200 0.007 0.000 0.981 135 S CB 0.038 63.235 63.200 -0.006 0.000 0.818 135 S HN 0.029 nan 8.310 nan 0.000 0.472 136 V N 1.966 121.928 119.914 0.080 0.000 2.379 136 V HA -0.071 4.058 4.120 0.016 0.000 0.245 136 V C 2.101 178.345 176.094 0.250 0.000 1.044 136 V CA 1.523 63.919 62.300 0.160 0.000 1.036 136 V CB -0.551 31.427 31.823 0.259 0.000 0.664 136 V HN 0.513 nan 8.190 nan 0.000 0.453 137 I N 0.560 121.218 120.570 0.147 0.000 2.700 137 I HA -0.208 3.971 4.170 0.016 0.000 0.261 137 I C 2.427 178.562 176.117 0.030 0.000 1.219 137 I CA 1.154 62.456 61.300 0.003 0.000 1.463 137 I CB -0.456 37.416 38.000 -0.213 0.000 1.092 137 I HN 0.305 nan 8.210 nan 0.000 0.452 138 A N 0.793 123.630 122.820 0.029 0.000 1.935 138 A HA -0.073 4.257 4.320 0.016 0.000 0.214 138 A C 2.223 179.823 177.584 0.027 0.000 1.178 138 A CA 0.768 52.806 52.037 0.001 0.000 0.640 138 A CB -0.084 18.907 19.000 -0.016 0.000 0.825 138 A HN 0.188 nan 8.150 nan 0.000 0.447 139 K N -1.081 119.345 120.400 0.044 0.000 2.296 139 K HA -0.016 4.313 4.320 0.016 0.000 0.200 139 K C 1.048 177.633 176.600 -0.025 0.000 1.048 139 K CA 0.950 57.236 56.287 -0.001 0.000 0.966 139 K CB -0.385 32.058 32.500 -0.094 0.000 0.754 139 K HN 0.637 nan 8.250 nan 0.000 0.466 140 Y N 1.259 121.618 120.300 0.098 0.000 2.500 140 Y HA 0.127 4.690 4.550 0.020 0.000 0.270 140 Y C 0.567 176.538 175.900 0.119 0.000 1.134 140 Y CA -0.219 57.955 58.100 0.124 0.000 1.293 140 Y CB 0.243 38.780 38.460 0.128 0.000 1.063 140 Y HN -0.156 nan 8.280 nan 0.000 0.534 141 R N 0.590 121.206 120.500 0.194 0.000 2.502 141 R HA 0.107 4.456 4.340 0.016 0.000 0.292 141 R C 1.300 177.650 176.300 0.082 0.000 0.998 141 R CA 1.075 57.245 56.100 0.117 0.000 1.056 141 R CB -0.232 30.074 30.300 0.010 0.000 0.939 141 R HN 0.560 nan 8.270 nan 0.000 0.411 142 G N 2.353 111.209 108.800 0.093 0.000 2.212 142 G HA2 -0.328 3.641 3.960 0.016 0.000 0.266 142 G HA3 -0.328 3.641 3.960 0.016 0.000 0.266 142 G C 0.055 174.996 174.900 0.067 0.000 0.978 142 G CA 0.395 45.539 45.100 0.074 0.000 0.632 142 G HN 0.421 nan 8.290 nan 0.000 0.537 143 K N 0.598 121.043 120.400 0.075 0.000 2.237 143 K HA 0.657 4.986 4.320 0.016 0.000 0.270 143 K C 0.915 177.556 176.600 0.069 0.000 1.015 143 K CA -0.377 55.942 56.287 0.055 0.000 0.949 143 K CB 0.453 32.962 32.500 0.016 0.000 0.976 143 K HN 0.363 nan 8.250 nan 0.000 0.472 144 R N 1.299 121.828 120.500 0.049 0.000 2.615 144 R HA 0.126 4.476 4.340 0.016 0.000 0.270 144 R C 0.964 177.308 176.300 0.073 0.000 1.081 144 R CA -0.009 56.119 56.100 0.046 0.000 1.154 144 R CB 0.505 30.822 30.300 0.029 0.000 1.063 144 R HN 0.508 nan 8.270 nan 0.000 0.519 145 K N 0.103 120.546 120.400 0.071 0.000 2.209 145 K HA -0.126 4.204 4.320 0.016 0.000 0.204 145 K C 1.559 178.267 176.600 0.179 0.000 1.048 145 K CA 1.889 58.261 56.287 0.142 0.000 0.940 145 K CB 0.040 32.540 32.500 0.001 0.000 0.729 145 K HN 0.731 nan 8.250 nan 0.000 0.451 146 T N -0.557 114.058 114.554 0.102 0.000 3.023 146 T HA -0.055 4.305 4.350 0.016 0.000 0.266 146 T C 1.047 175.782 174.700 0.058 0.000 1.093 146 T CA 0.482 62.636 62.100 0.091 0.000 1.129 146 T CB -0.128 68.776 68.868 0.060 0.000 0.899 146 T HN 0.351 nan 8.240 nan 0.000 0.491 147 E N 0.682 120.906 120.200 0.041 0.000 2.349 147 E HA 0.586 4.945 4.350 0.016 0.000 0.201 147 E C -0.494 176.088 176.600 -0.029 0.000 1.087 147 E CA -0.511 55.892 56.400 0.006 0.000 1.128 147 E CB -0.244 29.459 29.700 0.006 0.000 1.188 147 E HN 0.461 nan 8.360 nan 0.000 0.445 148 I N -0.270 120.287 120.570 -0.023 0.000 2.714 148 I HA 0.158 4.337 4.170 0.016 0.000 0.290 148 I C -2.909 173.217 176.117 0.016 0.000 1.663 148 I CA -2.129 59.112 61.300 -0.100 0.000 1.011 148 I CB 1.820 39.689 38.000 -0.219 0.000 1.462 148 I HN -0.146 nan 8.210 nan 0.000 0.476 149 P HA 0.264 nan 4.420 nan 0.000 0.269 149 P C -2.650 174.788 177.300 0.230 0.000 1.217 149 P CA -0.703 62.439 63.100 0.071 0.000 0.783 149 P CB -0.245 31.472 31.700 0.027 0.000 0.898 150 P HA 0.061 nan 4.420 nan 0.000 0.267 150 P C -0.593 176.713 177.300 0.010 0.000 1.205 150 P CA 1.117 64.061 63.100 -0.261 0.000 0.765 150 P CB 0.210 31.483 31.700 -0.711 0.000 0.828 151 H N 2.261 121.227 119.070 -0.174 0.000 3.094 151 H HA 0.109 4.675 4.556 0.016 0.000 0.346 151 H C 0.208 175.081 175.328 -0.757 0.000 1.238 151 H CA -0.614 55.077 56.048 -0.596 0.000 1.209 151 H CB 1.203 30.533 29.762 -0.720 0.000 1.911 151 H HN 0.186 nan 8.280 nan 0.000 0.540 152 L N 3.255 123.833 121.223 -1.075 0.000 2.081 152 L HA -0.147 4.202 4.340 0.016 0.000 0.212 152 L C 1.553 178.324 176.870 -0.164 0.000 1.080 152 L CA 1.738 56.253 54.840 -0.541 0.000 0.754 152 L CB -0.625 41.138 42.059 -0.495 0.000 0.893 152 L HN 0.489 nan 8.230 nan 0.000 0.433 153 F N -0.430 119.388 119.950 -0.221 0.000 2.154 153 F HA -0.210 4.325 4.527 0.014 0.000 0.301 153 F C 2.685 178.119 175.800 -0.610 0.000 1.087 153 F CA 1.295 58.825 58.000 -0.784 0.000 1.274 153 F CB -1.571 36.763 39.000 -1.110 0.000 1.009 153 F HN 0.109 nan 8.300 nan 0.000 0.485 154 S N -0.354 115.304 115.700 -0.069 0.000 2.402 154 S HA -0.092 4.387 4.470 0.016 0.000 0.229 154 S C 2.413 177.009 174.600 -0.007 0.000 1.021 154 S CA 0.862 59.115 58.200 0.088 0.000 0.974 154 S CB -0.454 62.921 63.200 0.291 0.000 0.800 154 S HN 0.153 nan 8.310 nan 0.000 0.484 155 V N 2.090 121.984 119.914 -0.033 0.000 2.261 155 V HA -0.206 3.923 4.120 0.016 0.000 0.246 155 V C 2.692 178.686 176.094 -0.167 0.000 1.047 155 V CA 1.785 64.042 62.300 -0.071 0.000 1.015 155 V CB -1.194 30.619 31.823 -0.015 0.000 0.642 155 V HN 0.538 nan 8.190 nan 0.000 0.446 156 A N -0.175 122.556 122.820 -0.148 0.000 1.883 156 A HA -0.333 3.997 4.320 0.016 0.000 0.217 156 A C 2.038 179.607 177.584 -0.026 0.000 1.186 156 A CA 2.440 54.414 52.037 -0.104 0.000 0.624 156 A CB -0.809 18.134 19.000 -0.095 0.000 0.822 156 A HN 0.624 nan 8.150 nan 0.000 0.444 157 D N -0.907 119.464 120.400 -0.049 0.000 2.117 157 D HA -0.125 4.525 4.640 0.016 0.000 0.198 157 D C 1.742 178.094 176.300 0.087 0.000 0.982 157 D CA 1.571 55.657 54.000 0.143 0.000 0.828 157 D CB -0.150 40.748 40.800 0.163 0.000 0.967 157 D HN 0.574 nan 8.370 nan 0.000 0.464 158 N N -0.520 118.169 118.700 -0.019 0.000 2.244 158 N HA -0.039 4.711 4.740 0.016 0.000 0.183 158 N C 1.570 176.972 175.510 -0.181 0.000 1.016 158 N CA 1.012 54.025 53.050 -0.061 0.000 0.866 158 N CB -0.072 38.381 38.487 -0.056 0.000 0.980 158 N HN 0.166 nan 8.380 nan 0.000 0.430 159 A N -0.009 122.583 122.820 -0.379 0.000 1.933 159 A HA -0.182 4.148 4.320 0.016 0.000 0.218 159 A C 1.998 179.429 177.584 -0.255 0.000 1.175 159 A CA 1.046 52.737 52.037 -0.577 0.000 0.628 159 A CB -0.868 17.666 19.000 -0.775 0.000 0.814 159 A HN 0.507 nan 8.150 nan 0.000 0.444 160 Y N 0.467 120.624 120.300 -0.239 0.000 2.163 160 Y HA -0.219 4.339 4.550 0.013 0.000 0.288 160 Y C 2.523 178.293 175.900 -0.218 0.000 1.136 160 Y CA 2.243 60.195 58.100 -0.246 0.000 1.147 160 Y CB -0.377 37.993 38.460 -0.150 0.000 0.987 160 Y HN 0.414 nan 8.280 nan 0.000 0.509 161 Q N 0.281 120.073 119.800 -0.013 0.000 2.096 161 Q HA -0.239 4.110 4.340 0.016 0.000 0.204 161 Q C 1.974 177.852 176.000 -0.203 0.000 0.982 161 Q CA 1.998 57.754 55.803 -0.078 0.000 0.850 161 Q CB -0.393 28.351 28.738 0.009 0.000 0.901 161 Q HN 0.677 nan 8.270 nan 0.000 0.422 162 N N 0.397 118.972 118.700 -0.209 0.000 2.084 162 N HA -0.170 4.579 4.740 0.016 0.000 0.190 162 N C 1.890 177.225 175.510 -0.291 0.000 1.030 162 N CA 1.077 53.992 53.050 -0.225 0.000 0.849 162 N CB -0.155 38.181 38.487 -0.250 0.000 1.012 162 N HN 0.229 nan 8.380 nan 0.000 0.423 163 M N 1.166 120.541 119.600 -0.375 0.000 2.106 163 M HA -0.170 4.319 4.480 0.016 0.000 0.259 163 M C 1.624 177.664 176.300 -0.434 0.000 1.068 163 M CA 1.588 56.621 55.300 -0.446 0.000 1.100 163 M CB 0.026 32.320 32.600 -0.511 0.000 1.351 163 M HN -0.016 nan 8.290 nan 0.000 0.404 164 V N -0.529 119.114 119.914 -0.451 0.000 2.719 164 V HA -0.151 3.978 4.120 0.016 0.000 0.252 164 V C 2.108 178.078 176.094 -0.206 0.000 1.065 164 V CA 1.900 64.004 62.300 -0.326 0.000 1.086 164 V CB -0.785 30.814 31.823 -0.375 0.000 0.700 164 V HN 0.539 nan 8.190 nan 0.000 0.467 165 T N -0.435 113.998 114.554 -0.200 0.000 2.866 165 T HA -0.063 4.297 4.350 0.016 0.000 0.250 165 T C 1.503 176.124 174.700 -0.133 0.000 1.033 165 T CA 1.190 63.210 62.100 -0.134 0.000 1.145 165 T CB -0.207 68.596 68.868 -0.108 0.000 0.866 165 T HN 0.421 nan 8.240 nan 0.000 0.434 166 D N 0.491 120.790 120.400 -0.168 0.000 2.347 166 D HA 0.086 4.736 4.640 0.016 0.000 0.213 166 D C 0.677 176.839 176.300 -0.229 0.000 0.985 166 D CA 0.242 54.149 54.000 -0.156 0.000 0.879 166 D CB -0.062 40.659 40.800 -0.131 0.000 0.919 166 D HN 0.073 nan 8.370 nan 0.000 0.526 167 R N 0.860 121.163 120.500 -0.329 0.000 3.261 167 R HA -0.190 4.160 4.340 0.016 0.000 0.257 167 R C -0.690 174.955 176.300 -1.092 0.000 1.014 167 R CA 0.810 56.610 56.100 -0.500 0.000 0.681 167 R CB -1.669 28.545 30.300 -0.143 0.000 1.155 167 R HN 0.528 nan 8.270 nan 0.000 0.424 168 E N -0.820 118.710 120.200 -1.117 0.000 2.392 168 E HA 0.375 4.735 4.350 0.016 0.000 0.279 168 E C -1.126 175.111 176.600 -0.606 0.000 0.964 168 E CA -1.246 54.603 56.400 -0.918 0.000 0.777 168 E CB 0.911 30.409 29.700 -0.336 0.000 1.249 168 E HN 0.055 nan 8.360 nan 0.000 0.449 169 N N 1.964 120.469 118.700 -0.325 0.000 2.441 169 N HA 0.090 4.839 4.740 0.016 0.000 0.251 169 N C -0.600 174.790 175.510 -0.201 0.000 1.242 169 N CA 0.126 52.967 53.050 -0.349 0.000 0.898 169 N CB 0.559 38.621 38.487 -0.709 0.000 1.100 169 N HN 0.454 nan 8.380 nan 0.000 0.443 170 Q N 0.061 119.781 119.800 -0.134 0.000 2.394 170 Q HA 0.520 4.869 4.340 0.016 0.000 0.273 170 Q C -0.682 175.409 176.000 0.153 0.000 1.089 170 Q CA -0.770 55.054 55.803 0.036 0.000 0.812 170 Q CB 2.089 30.825 28.738 -0.004 0.000 1.353 170 Q HN 0.695 nan 8.270 nan 0.000 0.438 171 S N -0.729 115.090 115.700 0.199 0.000 2.538 171 S HA 0.630 5.109 4.470 0.016 0.000 0.288 171 S C -0.668 174.015 174.600 0.139 0.000 1.108 171 S CA -0.683 57.641 58.200 0.206 0.000 0.971 171 S CB 1.043 64.354 63.200 0.184 0.000 1.041 171 S HN 0.600 nan 8.310 nan 0.000 0.483 172 C N 4.527 123.904 119.300 0.128 0.000 2.293 172 C HA 0.525 4.994 4.460 0.016 0.000 0.323 172 C C -0.304 174.734 174.990 0.079 0.000 1.240 172 C CA -0.873 58.194 59.018 0.082 0.000 1.497 172 C CB -0.439 27.350 27.740 0.082 0.000 2.171 172 C HN 0.765 nan 8.230 nan 0.000 0.465 173 L N 5.165 126.399 121.223 0.018 0.000 2.255 173 L HA 0.500 4.849 4.340 0.016 0.000 0.289 173 L C -0.084 176.867 176.870 0.136 0.000 1.046 173 L CA 0.096 54.982 54.840 0.078 0.000 0.816 173 L CB 0.599 42.715 42.059 0.095 0.000 1.197 173 L HN 0.638 nan 8.230 nan 0.000 0.427 174 I N 3.653 124.296 120.570 0.121 0.000 2.330 174 I HA 0.215 4.394 4.170 0.016 0.000 0.286 174 I C 0.651 176.824 176.117 0.094 0.000 1.025 174 I CA -0.183 61.187 61.300 0.117 0.000 1.197 174 I CB 1.661 39.717 38.000 0.093 0.000 1.358 174 I HN 0.595 nan 8.210 nan 0.000 0.467 175 T N 2.024 116.637 114.554 0.099 0.000 2.952 175 T HA 0.954 5.314 4.350 0.016 0.000 0.286 175 T C 0.033 174.747 174.700 0.023 0.000 1.024 175 T CA -0.680 61.454 62.100 0.056 0.000 1.029 175 T CB 2.464 71.363 68.868 0.051 0.000 1.094 175 T HN 0.882 nan 8.240 nan 0.000 0.515 176 G N 0.252 109.052 108.800 0.001 0.000 2.356 176 G HA2 0.323 4.292 3.960 0.016 0.000 0.300 176 G HA3 0.323 4.292 3.960 0.016 0.000 0.300 176 G C -1.403 173.491 174.900 -0.011 0.000 1.331 176 G CA -0.991 44.098 45.100 -0.019 0.000 0.905 176 G HN 0.860 nan 8.290 nan 0.000 0.587 177 E N -0.254 119.936 120.200 -0.016 0.000 2.369 177 E HA 0.433 4.792 4.350 0.016 0.000 0.255 177 E C 0.609 177.221 176.600 0.021 0.000 1.172 177 E CA -0.003 56.401 56.400 0.007 0.000 0.932 177 E CB 0.991 30.696 29.700 0.009 0.000 1.040 177 E HN 0.508 nan 8.360 nan 0.000 0.454 178 S N -0.064 115.664 115.700 0.046 0.000 2.533 178 S HA 0.265 4.745 4.470 0.016 0.000 0.282 178 S C 0.973 175.604 174.600 0.052 0.000 1.304 178 S CA 0.617 58.847 58.200 0.051 0.000 1.063 178 S CB -0.012 63.234 63.200 0.076 0.000 0.881 178 S HN 0.769 nan 8.310 nan 0.000 0.493 179 G N 3.324 112.148 108.800 0.040 0.000 2.199 179 G HA2 -0.258 3.711 3.960 0.016 0.000 0.254 179 G HA3 -0.258 3.711 3.960 0.016 0.000 0.254 179 G C 0.971 175.858 174.900 -0.021 0.000 0.982 179 G CA 0.375 45.504 45.100 0.048 0.000 0.632 179 G HN 1.507 nan 8.290 nan 0.000 0.529 180 A N -0.130 122.671 122.820 -0.032 0.000 2.067 180 A HA 0.488 4.817 4.320 0.016 0.000 0.219 180 A C 2.601 180.116 177.584 -0.116 0.000 1.158 180 A CA 2.351 54.343 52.037 -0.075 0.000 0.661 180 A CB -0.427 18.544 19.000 -0.050 0.000 0.801 180 A HN 2.527 nan 8.150 nan 0.000 0.452 181 G N -1.310 107.435 108.800 -0.091 0.000 2.148 181 G HA2 -0.178 3.791 3.960 0.016 0.000 0.157 181 G HA3 -0.178 3.791 3.960 0.016 0.000 0.157 181 G C 0.752 175.630 174.900 -0.038 0.000 1.012 181 G CA 0.467 45.513 45.100 -0.089 0.000 0.677 181 G HN 0.437 nan 8.290 nan 0.000 0.506 182 K N -0.189 120.200 120.400 -0.018 0.000 2.009 182 K HA -0.077 4.252 4.320 0.016 0.000 0.210 182 K C 2.551 179.152 176.600 0.002 0.000 1.049 182 K CA 1.944 58.233 56.287 0.004 0.000 0.929 182 K CB -0.332 32.172 32.500 0.006 0.000 0.714 182 K HN 0.295 nan 8.250 nan 0.000 0.440 183 T N 1.487 116.035 114.554 -0.010 0.000 2.708 183 T HA -0.116 4.243 4.350 0.016 0.000 0.266 183 T C 1.673 176.367 174.700 -0.010 0.000 1.037 183 T CA 1.156 63.251 62.100 -0.008 0.000 1.146 183 T CB -0.122 68.740 68.868 -0.010 0.000 0.865 183 T HN 0.194 nan 8.240 nan 0.000 0.435 184 E N 1.546 121.730 120.200 -0.027 0.000 2.049 184 E HA -0.120 4.239 4.350 0.016 0.000 0.198 184 E C 2.267 178.827 176.600 -0.066 0.000 1.007 184 E CA 0.959 57.324 56.400 -0.057 0.000 0.809 184 E CB -0.525 29.126 29.700 -0.081 0.000 0.749 184 E HN 0.477 nan 8.360 nan 0.000 0.450 185 N N 0.127 118.808 118.700 -0.031 0.000 2.166 185 N HA -0.095 4.654 4.740 0.016 0.000 0.186 185 N C 1.832 177.357 175.510 0.024 0.000 1.019 185 N CA 1.285 54.338 53.050 0.004 0.000 0.856 185 N CB -0.230 38.292 38.487 0.058 0.000 0.993 185 N HN 0.141 nan 8.380 nan 0.000 0.426 186 T N 1.603 116.174 114.554 0.029 0.000 2.746 186 T HA -0.064 4.296 4.350 0.016 0.000 0.267 186 T C 1.890 176.615 174.700 0.042 0.000 1.039 186 T CA 1.054 63.181 62.100 0.045 0.000 1.142 186 T CB 0.065 68.959 68.868 0.043 0.000 0.866 186 T HN 0.277 nan 8.240 nan 0.000 0.444 187 K N 0.527 120.938 120.400 0.019 0.000 2.097 187 K HA -0.023 4.306 4.320 0.016 0.000 0.205 187 K C 2.382 179.002 176.600 0.034 0.000 1.050 187 K CA 0.762 57.060 56.287 0.018 0.000 0.938 187 K CB -0.006 32.493 32.500 -0.001 0.000 0.718 187 K HN 0.055 nan 8.250 nan 0.000 0.442 188 K N 0.896 121.302 120.400 0.010 0.000 2.097 188 K HA -0.078 4.251 4.320 0.016 0.000 0.206 188 K C 2.122 178.868 176.600 0.244 0.000 1.049 188 K CA 0.761 57.103 56.287 0.091 0.000 0.933 188 K CB -0.657 31.818 32.500 -0.042 0.000 0.717 188 K HN -0.035 nan 8.250 nan 0.000 0.442 189 V N 1.779 121.794 119.914 0.169 0.000 2.295 189 V HA -0.228 3.902 4.120 0.016 0.000 0.246 189 V C 2.252 178.462 176.094 0.193 0.000 1.049 189 V CA 1.352 63.765 62.300 0.188 0.000 1.024 189 V CB -0.337 31.557 31.823 0.118 0.000 0.648 189 V HN 0.129 nan 8.190 nan 0.000 0.447 190 I N -0.715 119.930 120.570 0.124 0.000 2.179 190 I HA -0.275 3.904 4.170 0.016 0.000 0.242 190 I C 2.403 178.566 176.117 0.075 0.000 1.088 190 I CA 1.818 63.169 61.300 0.085 0.000 1.357 190 I CB -1.160 36.864 38.000 0.039 0.000 1.051 190 I HN 0.331 nan 8.210 nan 0.000 0.409 191 M N -0.377 119.275 119.600 0.086 0.000 2.149 191 M HA -0.291 4.198 4.480 0.016 0.000 0.261 191 M C 2.552 178.870 176.300 0.029 0.000 1.064 191 M CA 1.946 57.280 55.300 0.058 0.000 1.102 191 M CB -0.472 32.179 32.600 0.085 0.000 1.369 191 M HN 0.234 nan 8.290 nan 0.000 0.408 192 Y N 1.003 121.275 120.300 -0.047 0.000 2.114 192 Y HA -0.239 4.321 4.550 0.016 0.000 0.284 192 Y C 1.976 177.786 175.900 -0.151 0.000 1.143 192 Y CA 1.931 59.910 58.100 -0.201 0.000 1.135 192 Y CB -0.417 37.919 38.460 -0.206 0.000 0.980 192 Y HN 0.164 nan 8.280 nan 0.000 0.499 193 L N -0.091 121.140 121.223 0.012 0.000 2.083 193 L HA -0.223 4.127 4.340 0.016 0.000 0.209 193 L C 2.762 179.571 176.870 -0.101 0.000 1.083 193 L CA 1.137 55.963 54.840 -0.023 0.000 0.752 193 L CB -0.976 41.210 42.059 0.211 0.000 0.899 193 L HN 0.363 nan 8.230 nan 0.000 0.433 194 A N -0.258 122.511 122.820 -0.084 0.000 2.019 194 A HA -0.187 4.142 4.320 0.016 0.000 0.219 194 A C 2.334 179.834 177.584 -0.140 0.000 1.164 194 A CA 1.529 53.508 52.037 -0.097 0.000 0.644 194 A CB -0.229 18.730 19.000 -0.069 0.000 0.805 194 A HN 0.335 nan 8.150 nan 0.000 0.449 195 K N -0.644 119.628 120.400 -0.213 0.000 2.166 195 K HA 0.013 4.342 4.320 0.016 0.000 0.201 195 K C 1.801 178.219 176.600 -0.305 0.000 1.052 195 K CA 1.181 57.323 56.287 -0.241 0.000 0.969 195 K CB 0.000 32.344 32.500 -0.260 0.000 0.761 195 K HN 0.452 nan 8.250 nan 0.000 0.459 196 V N -2.641 116.992 119.914 -0.468 0.000 3.235 196 V HA 0.224 4.353 4.120 0.016 0.000 0.259 196 V C 1.252 177.139 176.094 -0.344 0.000 1.133 196 V CA 1.191 63.204 62.300 -0.477 0.000 1.128 196 V CB 0.399 31.764 31.823 -0.763 0.000 0.757 196 V HN 0.120 nan 8.190 nan 0.000 0.469 197 A N 0.035 122.709 122.820 -0.243 0.000 2.609 197 A HA 0.408 4.737 4.320 0.016 0.000 0.286 197 A C 0.918 178.495 177.584 -0.011 0.000 1.138 197 A CA 0.299 52.291 52.037 -0.076 0.000 0.960 197 A CB -0.969 18.096 19.000 0.109 0.000 1.208 197 A HN 0.853 nan 8.150 nan 0.000 0.541 198 C N -0.158 119.102 119.300 -0.067 0.000 2.665 198 C HA 0.583 5.053 4.460 0.016 0.000 0.416 198 C C 1.157 176.130 174.990 -0.028 0.000 1.305 198 C CA -0.791 58.194 59.018 -0.055 0.000 1.903 198 C CB -0.867 26.832 27.740 -0.068 0.000 2.704 198 C HN 0.927 nan 8.230 nan 0.000 0.629 199 A N 2.476 125.281 122.820 -0.025 0.000 2.406 199 A HA 0.580 4.909 4.320 0.016 0.000 0.243 199 A C 0.634 178.210 177.584 -0.012 0.000 1.082 199 A CA 0.205 52.236 52.037 -0.009 0.000 0.786 199 A CB -0.426 18.566 19.000 -0.014 0.000 1.029 199 A HN 2.420 nan 8.150 nan 0.000 0.495 200 V N 1.613 121.525 119.914 -0.004 0.000 3.287 200 V HA 0.324 4.453 4.120 0.016 0.000 0.306 200 V C 0.849 176.936 176.094 -0.011 0.000 1.103 200 V CA 0.010 62.306 62.300 -0.007 0.000 1.159 200 V CB -0.109 31.713 31.823 -0.001 0.000 1.036 200 V HN 0.928 nan 8.190 nan 0.000 0.487 211 K N 0.843 121.257 120.400 0.022 0.000 2.316 211 K HA 0.423 4.752 4.320 0.016 0.000 0.234 211 K C -0.594 176.022 176.600 0.026 0.000 1.054 211 K CA -0.682 55.621 56.287 0.026 0.000 0.879 211 K CB 1.688 34.199 32.500 0.018 0.000 1.252 211 K HN 0.778 nan 8.250 nan 0.000 0.471 212 E N 0.467 120.684 120.200 0.029 0.000 2.465 212 E HA 0.030 4.390 4.350 0.016 0.000 0.260 212 E C -0.071 176.535 176.600 0.010 0.000 0.980 212 E CA -0.080 56.335 56.400 0.026 0.000 0.927 212 E CB 0.483 30.198 29.700 0.026 0.000 0.934 212 E HN 0.635 nan 8.360 nan 0.000 0.459 213 G N 2.916 111.718 108.800 0.004 0.000 2.525 213 G HA2 0.263 4.232 3.960 0.016 0.000 0.287 213 G HA3 0.263 4.232 3.960 0.016 0.000 0.287 213 G C -0.207 174.686 174.900 -0.012 0.000 1.350 213 G CA -0.107 44.990 45.100 -0.006 0.000 1.039 213 G HN 0.710 nan 8.290 nan 0.000 0.513 214 S N -1.177 114.512 115.700 -0.018 0.000 2.641 214 S HA 0.156 4.635 4.470 0.016 0.000 0.261 214 S C 1.565 176.147 174.600 -0.031 0.000 1.257 214 S CA -0.214 57.972 58.200 -0.024 0.000 0.983 214 S CB 0.803 63.987 63.200 -0.027 0.000 0.990 214 S HN 0.575 nan 8.310 nan 0.000 0.572 215 L N 1.118 122.318 121.223 -0.038 0.000 1.971 215 L HA -0.086 4.264 4.340 0.016 0.000 0.215 215 L C 2.457 179.293 176.870 -0.055 0.000 1.072 215 L CA 2.216 57.027 54.840 -0.048 0.000 0.758 215 L CB -1.539 40.486 42.059 -0.057 0.000 0.889 215 L HN 0.848 nan 8.230 nan 0.000 0.433 216 E N -0.068 120.097 120.200 -0.059 0.000 2.086 216 E HA -0.251 4.109 4.350 0.016 0.000 0.200 216 E C 1.950 178.520 176.600 -0.050 0.000 1.012 216 E CA 1.741 58.104 56.400 -0.062 0.000 0.812 216 E CB -0.419 29.243 29.700 -0.062 0.000 0.743 216 E HN 0.547 nan 8.360 nan 0.000 0.453 217 D N 0.111 120.486 120.400 -0.041 0.000 2.123 217 D HA -0.161 4.488 4.640 0.016 0.000 0.196 217 D C 1.944 178.221 176.300 -0.038 0.000 0.992 217 D CA 1.083 55.062 54.000 -0.035 0.000 0.833 217 D CB -0.227 40.557 40.800 -0.027 0.000 0.954 217 D HN 0.326 nan 8.370 nan 0.000 0.455 218 Q N -0.083 119.694 119.800 -0.039 0.000 2.079 218 Q HA -0.035 4.314 4.340 0.016 0.000 0.200 218 Q C 2.504 178.473 176.000 -0.051 0.000 0.974 218 Q CA 0.602 56.381 55.803 -0.041 0.000 0.840 218 Q CB 0.007 28.726 28.738 -0.031 0.000 0.898 218 Q HN 0.343 nan 8.270 nan 0.000 0.430 219 I N 0.419 120.956 120.570 -0.054 0.000 2.151 219 I HA -0.317 3.862 4.170 0.016 0.000 0.243 219 I C 1.911 178.000 176.117 -0.047 0.000 1.080 219 I CA 1.109 62.374 61.300 -0.058 0.000 1.339 219 I CB -0.310 37.649 38.000 -0.067 0.000 1.039 219 I HN 0.183 nan 8.210 nan 0.000 0.409 220 I N 0.113 120.659 120.570 -0.041 0.000 2.252 220 I HA -0.222 3.958 4.170 0.016 0.000 0.245 220 I C 2.321 178.415 176.117 -0.039 0.000 1.102 220 I CA 1.400 62.682 61.300 -0.030 0.000 1.385 220 I CB -0.727 37.258 38.000 -0.024 0.000 1.064 220 I HN 0.236 nan 8.210 nan 0.000 0.414 221 Q N 0.250 120.018 119.800 -0.054 0.000 2.515 221 Q HA 0.111 4.461 4.340 0.016 0.000 0.212 221 Q C 2.148 178.077 176.000 -0.119 0.000 0.970 221 Q CA 0.855 56.609 55.803 -0.081 0.000 0.941 221 Q CB -0.339 28.348 28.738 -0.086 0.000 0.998 221 Q HN 0.545 nan 8.270 nan 0.000 0.518 222 A N 0.842 123.606 122.820 -0.093 0.000 2.016 222 A HA -0.118 4.212 4.320 0.016 0.000 0.217 222 A C 1.840 179.380 177.584 -0.073 0.000 1.162 222 A CA 0.721 52.694 52.037 -0.108 0.000 0.662 222 A CB -0.105 18.849 19.000 -0.078 0.000 0.812 222 A HN 0.278 nan 8.150 nan 0.000 0.450 223 N N 0.350 119.034 118.700 -0.026 0.000 2.058 223 N HA -0.105 4.644 4.740 0.016 0.000 0.191 223 N C -0.811 174.720 175.510 0.035 0.000 1.037 223 N CA 1.723 54.793 53.050 0.033 0.000 0.848 223 N CB -1.546 36.964 38.487 0.038 0.000 1.021 223 N HN 0.274 nan 8.380 nan 0.000 0.422 224 P HA -0.110 nan 4.420 nan 0.000 0.218 224 P C 1.888 179.172 177.300 -0.026 0.000 1.148 224 P CA 1.028 64.123 63.100 -0.009 0.000 0.822 224 P CB -0.081 31.588 31.700 -0.051 0.000 0.784 225 V N -3.770 116.052 119.914 -0.154 0.000 2.488 225 V HA -0.094 4.036 4.120 0.016 0.000 0.246 225 V C 2.120 178.244 176.094 0.051 0.000 1.046 225 V CA 1.345 63.529 62.300 -0.193 0.000 1.053 225 V CB -1.695 29.726 31.823 -0.670 0.000 0.679 225 V HN -0.007 nan 8.190 nan 0.000 0.458 226 L N -0.041 121.192 121.223 0.017 0.000 2.217 226 L HA -0.006 4.344 4.340 0.016 0.000 0.211 226 L C 2.792 179.877 176.870 0.359 0.000 1.107 226 L CA 1.635 56.526 54.840 0.085 0.000 0.783 226 L CB -0.565 41.538 42.059 0.073 0.000 0.919 226 L HN 0.393 nan 8.230 nan 0.000 0.442 227 E N 0.154 120.555 120.200 0.335 0.000 2.216 227 E HA -0.086 4.274 4.350 0.016 0.000 0.192 227 E C 2.258 179.102 176.600 0.407 0.000 0.988 227 E CA 0.776 57.419 56.400 0.406 0.000 0.834 227 E CB 0.089 29.971 29.700 0.303 0.000 0.772 227 E HN 0.454 nan 8.360 nan 0.000 0.479 228 A N 0.307 123.318 122.820 0.319 0.000 1.897 228 A HA -0.139 4.190 4.320 0.016 0.000 0.215 228 A C 1.538 179.207 177.584 0.142 0.000 1.181 228 A CA 1.061 53.246 52.037 0.247 0.000 0.620 228 A CB -0.432 18.674 19.000 0.177 0.000 0.821 228 A HN 0.237 nan 8.150 nan 0.000 0.443 229 Y N -0.897 119.544 120.300 0.236 0.000 2.517 229 Y HA 0.239 4.796 4.550 0.012 0.000 0.281 229 Y C 2.197 178.151 175.900 0.089 0.000 1.125 229 Y CA 0.695 58.916 58.100 0.202 0.000 1.283 229 Y CB 0.267 38.820 38.460 0.155 0.000 1.042 229 Y HN 0.347 nan 8.280 nan 0.000 0.547 230 G N -1.118 107.928 108.800 0.410 0.000 3.735 230 G HA2 0.150 4.120 3.960 0.016 0.000 0.283 230 G HA3 0.150 4.120 3.960 0.016 0.000 0.283 230 G C -0.466 174.832 174.900 0.664 0.000 1.007 230 G CA -0.188 45.115 45.100 0.339 0.000 0.821 230 G HN 0.039 nan 8.290 nan 0.000 0.505 231 N N 0.093 119.110 118.700 0.529 0.000 2.265 231 N HA 0.829 5.578 4.740 0.016 0.000 0.300 231 N C -0.640 174.713 175.510 -0.261 0.000 1.148 231 N CA -0.151 53.026 53.050 0.212 0.000 0.772 231 N CB 2.316 40.941 38.487 0.229 0.000 1.434 231 N HN 0.227 nan 8.380 nan 0.000 0.481 232 A N 0.085 122.690 122.820 -0.360 0.000 2.612 232 A HA 0.481 4.810 4.320 0.016 0.000 0.293 232 A C -1.225 176.247 177.584 -0.187 0.000 1.075 232 A CA -0.801 50.949 52.037 -0.478 0.000 0.680 232 A CB 1.166 19.874 19.000 -0.486 0.000 1.279 232 A HN 0.540 nan 8.150 nan 0.000 0.411 233 K N 1.030 121.379 120.400 -0.084 0.000 2.379 233 K HA 0.442 4.771 4.320 0.016 0.000 0.284 233 K C -0.181 176.375 176.600 -0.074 0.000 1.044 233 K CA 0.415 56.693 56.287 -0.015 0.000 0.974 233 K CB 0.586 33.078 32.500 -0.014 0.000 0.962 233 K HN 0.764 nan 8.250 nan 0.000 0.474 234 T N 1.564 116.093 114.554 -0.042 0.000 2.883 234 T HA 0.194 4.553 4.350 0.016 0.000 0.284 234 T C 1.018 175.700 174.700 -0.030 0.000 1.041 234 T CA -0.512 61.555 62.100 -0.054 0.000 1.007 234 T CB 1.496 70.340 68.868 -0.040 0.000 1.220 234 T HN 0.648 nan 8.240 nan 0.000 0.552 235 T N 1.603 116.139 114.554 -0.030 0.000 2.788 235 T HA -0.039 4.320 4.350 0.016 0.000 0.268 235 T C 1.999 176.705 174.700 0.009 0.000 1.044 235 T CA 0.818 62.909 62.100 -0.015 0.000 1.139 235 T CB -0.070 68.790 68.868 -0.013 0.000 0.867 235 T HN 0.272 nan 8.240 nan 0.000 0.454 236 R N 1.184 121.701 120.500 0.029 0.000 2.093 236 R HA 0.194 4.544 4.340 0.016 0.000 0.224 236 R C 0.497 176.842 176.300 0.076 0.000 1.101 236 R CA 0.631 56.765 56.100 0.056 0.000 0.979 236 R CB -0.326 30.018 30.300 0.074 0.000 0.877 236 R HN 0.291 nan 8.270 nan 0.000 0.441 237 N N -0.237 118.502 118.700 0.064 0.000 2.500 237 N HA 0.110 4.859 4.740 0.016 0.000 0.291 237 N C -0.536 175.019 175.510 0.075 0.000 1.092 237 N CA -0.184 52.918 53.050 0.086 0.000 0.890 237 N CB 0.729 39.264 38.487 0.081 0.000 1.466 237 N HN -0.093 nan 8.380 nan 0.000 0.507 238 N N 1.746 120.497 118.700 0.085 0.000 2.348 238 N HA -0.168 4.581 4.740 0.016 0.000 0.185 238 N C -0.046 175.561 175.510 0.162 0.000 1.019 238 N CA 0.718 53.819 53.050 0.086 0.000 0.880 238 N CB 0.034 38.558 38.487 0.062 0.000 0.965 238 N HN 0.440 nan 8.380 nan 0.000 0.437 239 N N 0.160 118.959 118.700 0.166 0.000 2.598 239 N HA 0.053 4.803 4.740 0.016 0.000 0.309 239 N C -1.301 174.309 175.510 0.166 0.000 1.645 239 N CA -0.218 52.990 53.050 0.263 0.000 0.936 239 N CB 0.337 38.945 38.487 0.203 0.000 1.323 239 N HN -0.136 nan 8.380 nan 0.000 0.497 240 S N -0.058 115.701 115.700 0.098 0.000 2.516 240 S HA 0.155 4.635 4.470 0.016 0.000 0.282 240 S C 0.004 174.642 174.600 0.064 0.000 1.286 240 S CA -0.201 58.034 58.200 0.058 0.000 1.066 240 S CB 0.050 63.267 63.200 0.028 0.000 0.884 240 S HN 0.362 nan 8.310 nan 0.000 0.491 241 S N 5.431 121.152 115.700 0.035 0.000 2.465 241 S HA 0.213 4.692 4.470 0.016 0.000 0.280 241 S C 0.815 175.447 174.600 0.052 0.000 1.232 241 S CA -0.555 57.639 58.200 -0.010 0.000 1.066 241 S CB 0.325 63.409 63.200 -0.194 0.000 0.929 241 S HN 0.596 nan 8.310 nan 0.000 0.494 242 R N 2.393 123.032 120.500 0.232 0.000 2.586 242 R HA 0.241 4.590 4.340 0.016 0.000 0.306 242 R C -0.563 175.925 176.300 0.313 0.000 1.079 242 R CA 0.017 56.271 56.100 0.258 0.000 1.083 242 R CB -0.752 29.778 30.300 0.383 0.000 1.306 242 R HN 0.687 nan 8.270 nan 0.000 0.567 243 F N -3.834 116.165 119.950 0.081 0.000 2.678 243 F HA 0.663 5.235 4.527 0.076 0.000 0.308 243 F C -0.373 175.521 175.800 0.157 0.000 1.118 243 F CA -1.603 56.445 58.000 0.080 0.000 0.959 243 F CB 0.599 39.612 39.000 0.022 0.000 1.305 243 F HN -0.107 nan 8.300 nan 0.000 0.443 244 G N 1.490 110.459 108.800 0.283 0.000 2.425 244 G HA2 0.564 4.533 3.960 0.016 0.000 0.302 244 G HA3 0.564 4.533 3.960 0.016 0.000 0.302 244 G C -1.809 173.353 174.900 0.436 0.000 1.159 244 G CA -0.914 44.333 45.100 0.245 0.000 0.865 244 G HN 0.910 nan 8.290 nan 0.000 0.515 245 K N -0.052 120.537 120.400 0.314 0.000 2.464 245 K HA 0.573 4.903 4.320 0.016 0.000 0.253 245 K C -2.133 174.740 176.600 0.455 0.000 0.933 245 K CA -0.822 55.689 56.287 0.373 0.000 0.801 245 K CB 2.029 34.654 32.500 0.207 0.000 1.271 245 K HN 0.297 nan 8.250 nan 0.000 0.430 246 F N 5.650 125.751 119.950 0.251 0.000 2.579 246 F HA 0.497 5.024 4.527 -0.001 0.000 0.325 246 F C -1.676 174.167 175.800 0.071 0.000 1.162 246 F CA -1.094 57.012 58.000 0.177 0.000 0.946 246 F CB 0.812 39.974 39.000 0.269 0.000 1.211 246 F HN 0.455 nan 8.300 nan 0.000 0.447 247 I N 6.742 127.132 120.570 -0.299 0.000 2.474 247 I HA 0.563 4.743 4.170 0.016 0.000 0.294 247 I C -1.057 174.704 176.117 -0.593 0.000 1.005 247 I CA -0.667 60.410 61.300 -0.371 0.000 1.113 247 I CB 1.073 38.987 38.000 -0.143 0.000 1.289 247 I HN 0.633 nan 8.210 nan 0.000 0.436 248 R N 7.825 127.962 120.500 -0.605 0.000 2.437 248 R HA 0.544 4.893 4.340 0.016 0.000 0.310 248 R C -1.257 174.736 176.300 -0.512 0.000 0.955 248 R CA -0.866 54.833 56.100 -0.668 0.000 0.851 248 R CB 1.768 31.461 30.300 -1.013 0.000 1.161 248 R HN 0.469 nan 8.270 nan 0.000 0.446 249 I N 4.667 125.034 120.570 -0.339 0.000 2.328 249 I HA 0.215 4.394 4.170 0.016 0.000 0.287 249 I C 0.352 176.249 176.117 -0.366 0.000 1.012 249 I CA -0.597 60.509 61.300 -0.324 0.000 1.195 249 I CB 0.691 38.559 38.000 -0.220 0.000 1.350 249 I HN 0.449 nan 8.210 nan 0.000 0.464 250 H N 6.241 125.218 119.070 -0.154 0.000 2.582 250 H HA 0.383 4.950 4.556 0.019 0.000 0.345 250 H C -0.892 174.323 175.328 -0.188 0.000 1.104 250 H CA 0.061 56.113 56.048 0.007 0.000 1.390 250 H CB 1.165 30.934 29.762 0.013 0.000 1.461 250 H HN 0.247 nan 8.280 nan 0.000 0.551 251 F N 0.128 120.202 119.950 0.206 0.000 2.495 251 F HA 0.382 4.915 4.527 0.012 0.000 0.327 251 F C 1.093 176.958 175.800 0.108 0.000 1.103 251 F CA -0.646 57.441 58.000 0.145 0.000 0.949 251 F CB 1.577 40.659 39.000 0.137 0.000 1.142 251 F HN 0.557 nan 8.300 nan 0.000 0.457 252 G N 2.066 111.004 108.800 0.231 0.000 2.535 252 G HA2 0.347 4.317 3.960 0.016 0.000 0.282 252 G HA3 0.347 4.317 3.960 0.016 0.000 0.282 252 G C -1.924 173.053 174.900 0.128 0.000 1.350 252 G CA -1.237 43.944 45.100 0.135 0.000 1.039 252 G HN 0.415 nan 8.290 nan 0.000 0.509 253 P HA -0.133 nan 4.420 nan 0.000 0.215 253 P C 2.020 179.362 177.300 0.071 0.000 1.157 253 P CA 2.550 65.687 63.100 0.061 0.000 0.874 253 P CB -0.094 31.629 31.700 0.038 0.000 0.790 254 T N -5.262 109.338 114.554 0.077 0.000 3.160 254 T HA 0.289 4.649 4.350 0.016 0.000 0.257 254 T C 1.418 176.189 174.700 0.119 0.000 1.147 254 T CA 0.466 62.614 62.100 0.080 0.000 1.064 254 T CB -1.028 67.879 68.868 0.066 0.000 0.949 254 T HN 0.304 nan 8.240 nan 0.000 0.526 255 G N 1.035 109.932 108.800 0.162 0.000 2.141 255 G HA2 -0.193 3.776 3.960 0.016 0.000 0.242 255 G HA3 -0.193 3.776 3.960 0.016 0.000 0.242 255 G C -0.058 175.094 174.900 0.421 0.000 0.982 255 G CA -0.139 45.103 45.100 0.236 0.000 0.662 255 G HN 0.565 nan 8.290 nan 0.000 0.527 256 K N 0.006 120.593 120.400 0.312 0.000 2.123 256 K HA 0.582 4.912 4.320 0.016 0.000 0.248 256 K C 0.901 177.615 176.600 0.189 0.000 0.969 256 K CA -1.207 55.232 56.287 0.253 0.000 0.882 256 K CB 1.281 33.849 32.500 0.114 0.000 1.080 256 K HN 0.224 nan 8.250 nan 0.000 0.441 257 I N 2.324 122.895 120.570 0.001 0.000 2.752 257 I HA -0.172 4.007 4.170 0.016 0.000 0.286 257 I C 1.358 177.397 176.117 -0.132 0.000 1.180 257 I CA 0.315 61.453 61.300 -0.270 0.000 1.404 257 I CB 0.564 38.386 38.000 -0.295 0.000 1.389 257 I HN 0.688 nan 8.210 nan 0.000 0.549 258 A N 5.247 128.001 122.820 -0.110 0.000 1.984 258 A HA 0.508 4.838 4.320 0.016 0.000 0.214 258 A C 1.093 178.652 177.584 -0.043 0.000 1.173 258 A CA 1.037 53.055 52.037 -0.032 0.000 0.673 258 A CB 0.004 19.020 19.000 0.026 0.000 0.830 258 A HN 0.857 nan 8.150 nan 0.000 0.453 259 G N -2.857 105.916 108.800 -0.044 0.000 2.335 259 G HA2 0.647 4.616 3.960 0.016 0.000 0.291 259 G HA3 0.647 4.616 3.960 0.016 0.000 0.291 259 G C -1.220 173.692 174.900 0.021 0.000 1.261 259 G CA 0.109 45.195 45.100 -0.024 0.000 0.871 259 G HN 1.555 nan 8.290 nan 0.000 0.491 260 A N -0.642 122.210 122.820 0.053 0.000 2.569 260 A HA 0.736 5.066 4.320 0.016 0.000 0.292 260 A C -1.921 175.655 177.584 -0.013 0.000 1.032 260 A CA 0.333 52.385 52.037 0.024 0.000 0.669 260 A CB 1.473 20.411 19.000 -0.103 0.000 1.290 260 A HN 1.812 nan 8.150 nan 0.000 0.422 261 D N -0.705 119.655 120.400 -0.067 0.000 2.570 261 D HA 0.754 5.403 4.640 0.016 0.000 0.244 261 D C -0.910 175.298 176.300 -0.153 0.000 1.178 261 D CA -0.403 53.539 54.000 -0.096 0.000 0.881 261 D CB 1.123 41.884 40.800 -0.065 0.000 1.453 261 D HN 0.549 nan 8.370 nan 0.000 0.447 262 I N -0.016 120.477 120.570 -0.128 0.000 2.569 262 I HA 0.318 4.498 4.170 0.016 0.000 0.290 262 I C -0.804 175.260 176.117 -0.088 0.000 1.088 262 I CA -0.901 60.335 61.300 -0.108 0.000 1.047 262 I CB 2.066 40.018 38.000 -0.081 0.000 1.237 262 I HN 0.223 nan 8.210 nan 0.000 0.421 263 E N 4.124 124.295 120.200 -0.047 0.000 2.199 263 E HA 0.505 4.864 4.350 0.016 0.000 0.269 263 E C -0.734 175.720 176.600 -0.243 0.000 0.899 263 E CA -0.415 55.894 56.400 -0.152 0.000 0.772 263 E CB 2.697 32.359 29.700 -0.064 0.000 1.155 263 E HN 0.689 nan 8.360 nan 0.000 0.408 264 T N -0.437 113.907 114.554 -0.351 0.000 2.908 264 T HA 0.741 5.100 4.350 0.016 0.000 0.290 264 T C -0.758 173.699 174.700 -0.405 0.000 1.034 264 T CA -0.651 61.398 62.100 -0.084 0.000 1.010 264 T CB 0.796 69.788 68.868 0.206 0.000 1.068 264 T HN 0.321 nan 8.240 nan 0.000 0.481 265 Y N 0.462 120.964 120.300 0.336 0.000 2.524 265 Y HA 0.560 5.115 4.550 0.009 0.000 0.347 265 Y C 0.181 176.176 175.900 0.159 0.000 1.005 265 Y CA -1.939 56.302 58.100 0.235 0.000 1.025 265 Y CB 1.580 40.182 38.460 0.236 0.000 1.275 265 Y HN 0.772 nan 8.280 nan 0.000 0.460 266 L N 2.289 123.625 121.223 0.188 0.000 3.895 266 L HA -0.247 4.102 4.340 0.016 0.000 0.511 266 L C -0.563 176.343 176.870 0.061 0.000 1.222 266 L CA 0.049 54.912 54.840 0.038 0.000 0.739 266 L CB -1.052 40.955 42.059 -0.086 0.000 1.425 266 L HN 0.472 nan 8.230 nan 0.000 0.817 267 L N 1.596 122.823 121.223 0.006 0.000 2.455 267 L HA 0.092 4.441 4.340 0.016 0.000 0.272 267 L C 1.184 178.056 176.870 0.003 0.000 1.174 267 L CA 0.591 55.373 54.840 -0.096 0.000 0.869 267 L CB 0.795 42.607 42.059 -0.411 0.000 1.130 267 L HN 0.287 nan 8.230 nan 0.000 0.474 268 E N 4.658 124.910 120.200 0.088 0.000 1.881 268 E HA -0.002 4.358 4.350 0.016 0.000 0.264 268 E C 0.434 177.120 176.600 0.144 0.000 1.243 268 E CA -0.135 56.336 56.400 0.118 0.000 0.965 268 E CB 0.381 30.165 29.700 0.140 0.000 1.055 268 E HN 0.603 nan 8.360 nan 0.000 0.412 269 K N 1.524 121.980 120.400 0.094 0.000 2.097 269 K HA -0.148 4.182 4.320 0.016 0.000 0.206 269 K C 2.025 178.664 176.600 0.065 0.000 1.049 269 K CA 1.466 57.806 56.287 0.089 0.000 0.933 269 K CB -0.224 32.324 32.500 0.080 0.000 0.717 269 K HN 0.434 nan 8.250 nan 0.000 0.442 270 S N 1.627 117.365 115.700 0.064 0.000 2.442 270 S HA -0.171 4.309 4.470 0.016 0.000 0.236 270 S C 2.118 176.737 174.600 0.030 0.000 1.007 270 S CA 0.985 59.217 58.200 0.052 0.000 0.965 270 S CB -0.277 62.977 63.200 0.090 0.000 0.773 270 S HN 0.290 nan 8.310 nan 0.000 0.504 271 R N 0.854 121.356 120.500 0.004 0.000 2.120 271 R HA -0.010 4.340 4.340 0.016 0.000 0.234 271 R C 1.866 178.068 176.300 -0.163 0.000 1.123 271 R CA 1.296 57.324 56.100 -0.121 0.000 0.975 271 R CB -0.620 29.517 30.300 -0.271 0.000 0.866 271 R HN 0.380 nan 8.270 nan 0.000 0.446 272 V N 0.308 120.163 119.914 -0.099 0.000 2.546 272 V HA -0.239 3.890 4.120 0.016 0.000 0.254 272 V C 1.850 177.700 176.094 -0.407 0.000 1.076 272 V CA 2.286 64.463 62.300 -0.204 0.000 1.087 272 V CB -0.355 31.350 31.823 -0.197 0.000 0.674 272 V HN 0.715 nan 8.190 nan 0.000 0.470 273 T N -5.221 109.087 114.554 -0.409 0.000 3.016 273 T HA 0.206 4.565 4.350 0.016 0.000 0.271 273 T C -0.209 174.342 174.700 -0.249 0.000 0.968 273 T CA -0.145 61.533 62.100 -0.702 0.000 0.891 273 T CB 0.133 68.457 68.868 -0.905 0.000 1.149 273 T HN 0.300 nan 8.240 nan 0.000 0.524 274 Y N 1.842 121.999 120.300 -0.238 0.000 2.421 274 Y HA 0.676 5.235 4.550 0.015 0.000 0.339 274 Y C -1.771 174.061 175.900 -0.113 0.000 0.996 274 Y CA -1.108 56.912 58.100 -0.134 0.000 1.046 274 Y CB 1.888 40.289 38.460 -0.099 0.000 1.226 274 Y HN 0.013 nan 8.280 nan 0.000 0.445 275 Q N 3.878 123.141 119.800 -0.895 0.000 2.347 275 Q HA 0.442 4.791 4.340 0.016 0.000 0.271 275 Q C -1.034 174.406 176.000 -0.934 0.000 1.064 275 Q CA -0.887 54.435 55.803 -0.800 0.000 0.800 275 Q CB 2.634 31.155 28.738 -0.362 0.000 1.304 275 Q HN 0.707 nan 8.270 nan 0.000 0.438 276 Q N 0.146 119.534 119.800 -0.686 0.000 2.414 276 Q HA 0.387 4.737 4.340 0.016 0.000 0.206 276 Q C -0.131 175.748 176.000 -0.201 0.000 1.058 276 Q CA -0.531 55.063 55.803 -0.347 0.000 1.025 276 Q CB 0.631 29.261 28.738 -0.181 0.000 1.196 276 Q HN 0.574 nan 8.270 nan 0.000 0.586 277 S N -0.353 115.285 115.700 -0.103 0.000 2.533 277 S HA 0.297 4.777 4.470 0.016 0.000 0.282 277 S C 0.437 174.990 174.600 -0.078 0.000 1.304 277 S CA 0.511 58.668 58.200 -0.073 0.000 1.063 277 S CB -0.027 63.150 63.200 -0.039 0.000 0.881 277 S HN 0.860 nan 8.310 nan 0.000 0.493 278 A N 2.656 125.431 122.820 -0.075 0.000 3.021 278 A HA -0.130 4.199 4.320 0.016 0.000 0.257 278 A C 0.239 177.768 177.584 -0.091 0.000 1.277 278 A CA 1.417 53.410 52.037 -0.072 0.000 1.012 278 A CB -2.338 16.628 19.000 -0.055 0.000 1.147 278 A HN 0.829 nan 8.150 nan 0.000 0.861 279 E N -1.115 119.013 120.200 -0.120 0.000 2.355 279 E HA 0.775 5.134 4.350 0.016 0.000 0.261 279 E C 0.052 176.561 176.600 -0.152 0.000 0.943 279 E CA -1.080 55.236 56.400 -0.141 0.000 0.806 279 E CB 1.327 30.923 29.700 -0.173 0.000 1.286 279 E HN 0.473 nan 8.360 nan 0.000 0.424 280 R N 0.383 120.787 120.500 -0.160 0.000 2.855 280 R HA 0.364 4.713 4.340 0.016 0.000 0.266 280 R C -0.111 176.140 176.300 -0.081 0.000 1.034 280 R CA -0.944 55.085 56.100 -0.119 0.000 0.944 280 R CB 1.254 31.390 30.300 -0.272 0.000 1.219 280 R HN 0.416 nan 8.270 nan 0.000 0.474 281 N N 0.174 118.964 118.700 0.150 0.000 2.374 281 N HA 0.102 4.852 4.740 0.016 0.000 0.284 281 N C -0.603 174.929 175.510 0.036 0.000 1.280 281 N CA 0.015 53.061 53.050 -0.005 0.000 0.963 281 N CB 0.191 38.719 38.487 0.068 0.000 1.141 281 N HN 0.235 nan 8.380 nan 0.000 0.565 282 Y N 1.166 121.615 120.300 0.248 0.000 2.788 282 Y HA -0.063 4.492 4.550 0.008 0.000 0.341 282 Y C 2.008 178.041 175.900 0.221 0.000 1.258 282 Y CA 0.345 58.511 58.100 0.109 0.000 1.503 282 Y CB 0.161 38.663 38.460 0.069 0.000 1.325 282 Y HN 0.499 nan 8.280 nan 0.000 0.614 283 H N 1.644 120.911 119.070 0.328 0.000 2.426 283 H HA -0.190 4.374 4.556 0.013 0.000 0.298 283 H C 2.192 177.603 175.328 0.138 0.000 1.107 283 H CA 1.869 58.080 56.048 0.273 0.000 1.298 283 H CB -0.207 29.659 29.762 0.172 0.000 1.377 283 H HN 0.722 nan 8.280 nan 0.000 0.519 284 I N 0.789 121.374 120.570 0.026 0.000 2.151 284 I HA -0.287 3.892 4.170 0.016 0.000 0.243 284 I C 1.862 177.754 176.117 -0.375 0.000 1.080 284 I CA 1.173 62.288 61.300 -0.308 0.000 1.339 284 I CB -0.621 36.898 38.000 -0.802 0.000 1.039 284 I HN -0.070 nan 8.210 nan 0.000 0.409 285 F N -0.252 119.583 119.950 -0.191 0.000 2.126 285 F HA -0.245 4.291 4.527 0.015 0.000 0.299 285 F C 2.228 177.694 175.800 -0.557 0.000 1.096 285 F CA 1.759 59.509 58.000 -0.418 0.000 1.255 285 F CB -1.367 37.299 39.000 -0.557 0.000 0.997 285 F HN 0.147 nan 8.300 nan 0.000 0.479 286 Y N -0.553 119.805 120.300 0.097 0.000 2.457 286 Y HA -0.103 4.456 4.550 0.014 0.000 0.292 286 Y C 2.341 178.177 175.900 -0.107 0.000 1.125 286 Y CA 0.611 58.725 58.100 0.023 0.000 1.254 286 Y CB -0.891 37.604 38.460 0.059 0.000 1.012 286 Y HN 0.124 nan 8.280 nan 0.000 0.555 287 Q N -0.061 119.663 119.800 -0.126 0.000 2.046 287 Q HA -0.146 4.203 4.340 0.016 0.000 0.200 287 Q C 2.082 177.525 176.000 -0.929 0.000 0.975 287 Q CA 1.504 57.056 55.803 -0.418 0.000 0.836 287 Q CB -0.280 28.231 28.738 -0.378 0.000 0.896 287 Q HN 0.425 nan 8.270 nan 0.000 0.428 288 I N -0.168 119.904 120.570 -0.829 0.000 2.423 288 I HA -0.274 3.905 4.170 0.016 0.000 0.254 288 I C 1.466 177.361 176.117 -0.369 0.000 1.151 288 I CA 1.032 61.900 61.300 -0.719 0.000 1.421 288 I CB 0.041 37.810 38.000 -0.385 0.000 1.079 288 I HN 0.270 nan 8.210 nan 0.000 0.431 289 C N -0.512 118.647 119.300 -0.235 0.000 2.855 289 C HA 0.162 4.632 4.460 0.016 0.000 0.279 289 C C 2.585 177.568 174.990 -0.013 0.000 1.270 289 C CA 0.365 59.344 59.018 -0.065 0.000 1.702 289 C CB -1.604 26.145 27.740 0.014 0.000 1.949 289 C HN 0.586 nan 8.230 nan 0.000 0.618 290 S N 0.690 116.357 115.700 -0.055 0.000 2.496 290 S HA -0.016 4.463 4.470 0.016 0.000 0.224 290 S C 0.874 175.512 174.600 0.064 0.000 0.996 290 S CA 0.999 59.214 58.200 0.025 0.000 0.927 290 S CB -0.494 62.727 63.200 0.034 0.000 0.774 290 S HN 0.523 nan 8.310 nan 0.000 0.524 291 N N 0.205 118.951 118.700 0.076 0.000 2.815 291 N HA -0.180 4.570 4.740 0.016 0.000 0.249 291 N C 0.623 176.208 175.510 0.125 0.000 1.114 291 N CA 0.838 53.947 53.050 0.099 0.000 0.717 291 N CB -1.613 36.918 38.487 0.073 0.000 1.074 291 N HN 0.581 nan 8.380 nan 0.000 0.555 292 A N -0.371 122.572 122.820 0.205 0.000 1.968 292 A HA 0.237 4.566 4.320 0.016 0.000 0.217 292 A C 0.936 178.583 177.584 0.104 0.000 1.169 292 A CA 1.240 53.392 52.037 0.190 0.000 0.638 292 A CB 0.128 19.327 19.000 0.332 0.000 0.812 292 A HN 0.398 nan 8.150 nan 0.000 0.446 293 I N -0.960 119.683 120.570 0.121 0.000 2.698 293 I HA 0.208 4.388 4.170 0.016 0.000 0.276 293 I C -2.271 173.893 176.117 0.078 0.000 1.166 293 I CA -1.599 59.719 61.300 0.031 0.000 1.101 293 I CB 1.816 39.757 38.000 -0.098 0.000 1.305 293 I HN -0.040 nan 8.210 nan 0.000 0.526 294 P HA -0.253 nan 4.420 nan 0.000 0.218 294 P C 1.656 178.997 177.300 0.069 0.000 1.150 294 P CA 1.940 65.082 63.100 0.070 0.000 0.841 294 P CB 0.328 32.061 31.700 0.054 0.000 0.784 295 E N -0.386 119.848 120.200 0.057 0.000 2.204 295 E HA -0.117 4.242 4.350 0.016 0.000 0.194 295 E C 1.825 178.471 176.600 0.076 0.000 0.989 295 E CA 0.976 57.411 56.400 0.058 0.000 0.824 295 E CB -1.551 28.175 29.700 0.044 0.000 0.756 295 E HN 0.259 nan 8.360 nan 0.000 0.477 296 L N 0.371 121.647 121.223 0.089 0.000 2.554 296 L HA 0.069 4.418 4.340 0.016 0.000 0.226 296 L C 2.177 179.125 176.870 0.129 0.000 1.137 296 L CA 0.374 55.285 54.840 0.118 0.000 0.863 296 L CB -0.086 42.050 42.059 0.129 0.000 0.985 296 L HN 0.367 nan 8.230 nan 0.000 0.451 297 N N 0.160 118.929 118.700 0.115 0.000 2.058 297 N HA -0.196 4.553 4.740 0.016 0.000 0.191 297 N C 1.022 176.605 175.510 0.122 0.000 1.037 297 N CA 1.353 54.471 53.050 0.113 0.000 0.848 297 N CB 0.031 38.577 38.487 0.099 0.000 1.021 297 N HN 0.249 nan 8.380 nan 0.000 0.422 298 D N 0.248 120.713 120.400 0.108 0.000 2.264 298 D HA -0.044 4.605 4.640 0.016 0.000 0.208 298 D C 1.815 178.199 176.300 0.141 0.000 0.966 298 D CA 0.360 54.426 54.000 0.110 0.000 0.864 298 D CB 0.010 40.861 40.800 0.084 0.000 0.933 298 D HN 0.063 nan 8.370 nan 0.000 0.499 299 V N 0.269 120.266 119.914 0.139 0.000 2.667 299 V HA -0.098 4.031 4.120 0.016 0.000 0.252 299 V C 2.044 178.238 176.094 0.167 0.000 1.065 299 V CA 1.123 63.512 62.300 0.148 0.000 1.083 299 V CB -0.231 31.672 31.823 0.135 0.000 0.692 299 V HN 0.229 nan 8.190 nan 0.000 0.468 300 M N -1.249 118.455 119.600 0.174 0.000 2.382 300 M HA 0.312 4.801 4.480 0.016 0.000 0.247 300 M C 0.623 177.075 176.300 0.253 0.000 1.104 300 M CA 0.223 55.639 55.300 0.193 0.000 1.030 300 M CB 0.492 33.188 32.600 0.160 0.000 1.424 300 M HN 0.118 nan 8.290 nan 0.000 0.486 301 L N 0.371 121.726 121.223 0.220 0.000 4.232 301 L HA -0.174 4.175 4.340 0.016 0.000 0.415 301 L C 0.065 177.119 176.870 0.307 0.000 1.168 301 L CA -0.115 54.848 54.840 0.204 0.000 0.966 301 L CB -2.295 39.838 42.059 0.124 0.000 2.052 301 L HN 0.336 nan 8.230 nan 0.000 0.887 302 V N -3.835 116.241 119.914 0.270 0.000 2.617 302 V HA 0.690 4.819 4.120 0.016 0.000 0.298 302 V C 0.731 176.959 176.094 0.224 0.000 1.048 302 V CA -0.208 62.251 62.300 0.266 0.000 0.964 302 V CB 1.833 33.706 31.823 0.084 0.000 1.004 302 V HN 0.125 nan 8.190 nan 0.000 0.466 303 T N 5.682 120.408 114.554 0.287 0.000 2.749 303 T HA 0.450 4.809 4.350 0.016 0.000 0.287 303 T C -2.494 172.319 174.700 0.187 0.000 0.970 303 T CA -0.912 61.299 62.100 0.185 0.000 0.980 303 T CB 1.281 70.228 68.868 0.131 0.000 0.924 303 T HN 0.752 nan 8.240 nan 0.000 0.456 304 P HA 0.186 nan 4.420 nan 0.000 0.235 304 P C -0.777 176.581 177.300 0.095 0.000 1.670 304 P CA 0.222 63.382 63.100 0.099 0.000 1.017 304 P CB -0.174 31.571 31.700 0.075 0.000 1.945 305 D N 0.174 120.651 120.400 0.128 0.000 2.337 305 D HA 0.046 4.696 4.640 0.016 0.000 0.238 305 D C 1.114 177.492 176.300 0.130 0.000 1.331 305 D CA -0.253 53.800 54.000 0.089 0.000 0.967 305 D CB 0.604 41.421 40.800 0.028 0.000 1.382 305 D HN -0.029 nan 8.370 nan 0.000 0.549 306 S N 1.372 117.167 115.700 0.158 0.000 2.383 306 S HA -0.114 4.366 4.470 0.016 0.000 0.229 306 S C 2.027 176.725 174.600 0.163 0.000 1.030 306 S CA 1.177 59.500 58.200 0.205 0.000 1.002 306 S CB -0.459 62.896 63.200 0.258 0.000 0.829 306 S HN 0.425 nan 8.310 nan 0.000 0.467 307 G N 0.312 109.170 108.800 0.096 0.000 2.916 307 G HA2 0.169 4.138 3.960 0.016 0.000 0.205 307 G HA3 0.169 4.138 3.960 0.016 0.000 0.205 307 G C 1.002 175.879 174.900 -0.038 0.000 1.163 307 G CA 0.285 45.412 45.100 0.045 0.000 0.821 307 G HN 0.457 nan 8.290 nan 0.000 0.515 308 L N -1.050 120.099 121.223 -0.123 0.000 2.463 308 L HA 0.429 4.779 4.340 0.016 0.000 0.219 308 L C 0.041 176.587 176.870 -0.540 0.000 1.088 308 L CA -0.142 54.484 54.840 -0.357 0.000 0.849 308 L CB 0.023 41.772 42.059 -0.517 0.000 1.012 308 L HN 0.196 nan 8.230 nan 0.000 0.468 309 Y N -1.313 118.956 120.300 -0.052 0.000 2.320 309 Y HA 0.239 4.799 4.550 0.016 0.000 0.334 309 Y C 1.804 177.666 175.900 -0.063 0.000 1.055 309 Y CA -0.138 57.909 58.100 -0.089 0.000 1.143 309 Y CB 1.253 39.630 38.460 -0.140 0.000 1.193 309 Y HN -0.183 nan 8.280 nan 0.000 0.477 310 S N 2.000 117.720 115.700 0.034 0.000 2.402 310 S HA -0.112 4.367 4.470 0.016 0.000 0.229 310 S C 1.527 176.262 174.600 0.225 0.000 1.021 310 S CA 0.930 59.166 58.200 0.060 0.000 0.974 310 S CB -0.230 62.958 63.200 -0.021 0.000 0.800 310 S HN 0.586 nan 8.310 nan 0.000 0.484 311 F N 1.467 121.390 119.950 -0.046 0.000 2.699 311 F HA 0.193 4.731 4.527 0.018 0.000 0.298 311 F C 1.660 177.316 175.800 -0.240 0.000 1.154 311 F CA -0.165 57.745 58.000 -0.150 0.000 1.457 311 F CB -0.491 38.382 39.000 -0.212 0.000 1.106 311 F HN 0.303 nan 8.300 nan 0.000 0.585 312 I N -3.349 117.223 120.570 0.004 0.000 4.670 312 I HA 0.192 4.372 4.170 0.016 0.000 0.339 312 I C 0.733 176.921 176.117 0.119 0.000 1.310 312 I CA 0.062 61.338 61.300 -0.039 0.000 1.288 312 I CB -0.412 37.427 38.000 -0.268 0.000 1.427 312 I HN -0.001 nan 8.210 nan 0.000 0.494 313 N N 1.005 119.764 118.700 0.099 0.000 2.295 313 N HA 0.117 4.866 4.740 0.016 0.000 0.221 313 N C 0.865 176.404 175.510 0.050 0.000 1.129 313 N CA -0.281 52.825 53.050 0.094 0.000 0.836 313 N CB 0.318 38.847 38.487 0.070 0.000 1.040 313 N HN 0.525 nan 8.380 nan 0.000 0.494 314 Q N 0.541 120.358 119.800 0.027 0.000 2.089 314 Q HA 0.077 4.427 4.340 0.016 0.000 0.195 314 Q C 1.524 177.500 176.000 -0.040 0.000 0.963 314 Q CA 1.283 57.083 55.803 -0.006 0.000 0.834 314 Q CB 0.102 28.823 28.738 -0.028 0.000 0.906 314 Q HN 0.479 nan 8.270 nan 0.000 0.452 315 G N 0.321 109.078 108.800 -0.071 0.000 3.229 315 G HA2 0.169 4.139 3.960 0.016 0.000 0.165 315 G HA3 0.169 4.139 3.960 0.016 0.000 0.165 315 G C 0.179 175.047 174.900 -0.054 0.000 1.753 315 G CA 0.102 45.151 45.100 -0.085 0.000 1.054 315 G HN 0.507 nan 8.290 nan 0.000 0.544 316 C N -1.254 118.001 119.300 -0.074 0.000 2.328 316 C HA 0.749 5.218 4.460 0.016 0.000 0.378 316 C C 1.657 176.592 174.990 -0.093 0.000 1.249 316 C CA -0.768 58.209 59.018 -0.070 0.000 2.204 316 C CB 0.328 28.019 27.740 -0.081 0.000 2.218 316 C HN 0.509 nan 8.230 nan 0.000 0.564 317 L N 0.593 121.769 121.223 -0.078 0.000 2.362 317 L HA 0.189 4.538 4.340 0.016 0.000 0.204 317 L C 1.546 178.298 176.870 -0.198 0.000 1.060 317 L CA 0.936 55.728 54.840 -0.080 0.000 0.827 317 L CB -0.570 41.514 42.059 0.041 0.000 1.027 317 L HN 0.988 nan 8.230 nan 0.000 0.474 318 T N -1.908 112.570 114.554 -0.127 0.000 2.937 318 T HA 0.673 5.032 4.350 0.016 0.000 0.283 318 T C -0.433 174.195 174.700 -0.120 0.000 1.012 318 T CA -0.636 61.395 62.100 -0.116 0.000 0.997 318 T CB 2.489 71.327 68.868 -0.051 0.000 1.136 318 T HN -0.181 nan 8.240 nan 0.000 0.551 319 V N 1.659 121.517 119.914 -0.093 0.000 2.612 319 V HA 0.328 4.457 4.120 0.016 0.000 0.301 319 V C -0.874 175.193 176.094 -0.045 0.000 1.059 319 V CA -1.155 61.103 62.300 -0.070 0.000 0.886 319 V CB 1.751 33.533 31.823 -0.068 0.000 1.007 319 V HN 0.975 nan 8.190 nan 0.000 0.426 320 D N 4.559 124.939 120.400 -0.034 0.000 2.443 320 D HA 0.055 4.705 4.640 0.016 0.000 0.234 320 D C 1.177 177.466 176.300 -0.017 0.000 1.172 320 D CA 1.240 55.227 54.000 -0.023 0.000 0.878 320 D CB 0.199 40.987 40.800 -0.020 0.000 1.204 320 D HN 0.990 nan 8.370 nan 0.000 0.453 321 N N -0.059 118.635 118.700 -0.011 0.000 2.778 321 N HA -0.261 4.488 4.740 0.016 0.000 0.249 321 N C -1.015 174.484 175.510 -0.019 0.000 1.069 321 N CA 0.984 54.031 53.050 -0.004 0.000 0.831 321 N CB -1.834 36.660 38.487 0.011 0.000 1.142 321 N HN 0.529 nan 8.380 nan 0.000 0.573 322 I N -0.130 120.420 120.570 -0.034 0.000 2.497 322 I HA 0.180 4.359 4.170 0.016 0.000 0.284 322 I C -0.836 175.255 176.117 -0.043 0.000 1.060 322 I CA -0.740 60.524 61.300 -0.060 0.000 1.071 322 I CB 1.611 39.543 38.000 -0.112 0.000 1.216 322 I HN 0.005 nan 8.210 nan 0.000 0.442 323 D N 5.634 126.018 120.400 -0.027 0.000 2.467 323 D HA 0.165 4.814 4.640 0.016 0.000 0.220 323 D C 0.762 177.068 176.300 0.009 0.000 1.103 323 D CA -0.142 53.857 54.000 -0.002 0.000 0.886 323 D CB 0.960 41.765 40.800 0.009 0.000 1.025 323 D HN 0.344 nan 8.370 nan 0.000 0.514 324 D N 2.658 123.070 120.400 0.019 0.000 2.144 324 D HA -0.133 4.516 4.640 0.016 0.000 0.199 324 D C 2.014 178.364 176.300 0.082 0.000 0.984 324 D CA 0.744 54.773 54.000 0.047 0.000 0.834 324 D CB 0.326 41.170 40.800 0.075 0.000 0.955 324 D HN 0.286 nan 8.370 nan 0.000 0.465 325 V N 1.514 121.475 119.914 0.079 0.000 2.255 325 V HA -0.214 3.916 4.120 0.016 0.000 0.247 325 V C 2.554 178.718 176.094 0.118 0.000 1.051 325 V CA 1.626 63.991 62.300 0.108 0.000 1.018 325 V CB -0.343 31.526 31.823 0.076 0.000 0.641 325 V HN 0.114 nan 8.190 nan 0.000 0.445 326 E N -0.077 120.168 120.200 0.075 0.000 2.077 326 E HA -0.186 4.173 4.350 0.016 0.000 0.193 326 E C 2.296 178.938 176.600 0.070 0.000 0.989 326 E CA 1.130 57.565 56.400 0.059 0.000 0.800 326 E CB -0.156 29.565 29.700 0.035 0.000 0.746 326 E HN 0.647 nan 8.360 nan 0.000 0.452 327 E N -0.354 119.892 120.200 0.077 0.000 2.204 327 E HA -0.144 4.215 4.350 0.016 0.000 0.194 327 E C 1.907 178.611 176.600 0.173 0.000 0.989 327 E CA 0.266 56.717 56.400 0.085 0.000 0.824 327 E CB -0.262 29.464 29.700 0.044 0.000 0.756 327 E HN 0.197 nan 8.360 nan 0.000 0.477 328 F N 2.506 122.454 119.950 -0.004 0.000 2.146 328 F HA -0.099 4.437 4.527 0.014 0.000 0.298 328 F C 1.961 177.758 175.800 -0.005 0.000 1.096 328 F CA 1.233 59.221 58.000 -0.020 0.000 1.275 328 F CB -0.149 38.819 39.000 -0.054 0.000 1.008 328 F HN -0.178 nan 8.300 nan 0.000 0.480 329 K N 0.002 120.413 120.400 0.017 0.000 2.103 329 K HA -0.160 4.169 4.320 0.016 0.000 0.207 329 K C 2.123 178.694 176.600 -0.049 0.000 1.048 329 K CA 1.620 57.850 56.287 -0.094 0.000 0.930 329 K CB -0.313 32.168 32.500 -0.032 0.000 0.716 329 K HN 0.313 nan 8.250 nan 0.000 0.444 330 L N 0.045 121.274 121.223 0.009 0.000 2.072 330 L HA -0.188 4.161 4.340 0.016 0.000 0.205 330 L C 2.723 179.594 176.870 0.002 0.000 1.079 330 L CA 0.730 55.574 54.840 0.006 0.000 0.752 330 L CB -0.456 41.614 42.059 0.018 0.000 0.906 330 L HN 0.359 nan 8.230 nan 0.000 0.436 331 C N 0.409 119.743 119.300 0.057 0.000 2.432 331 C HA -0.215 4.254 4.460 0.016 0.000 0.277 331 C C 2.611 177.661 174.990 0.099 0.000 1.249 331 C CA 1.460 60.518 59.018 0.068 0.000 1.725 331 C CB -0.603 27.296 27.740 0.264 0.000 2.028 331 C HN 0.694 nan 8.230 nan 0.000 0.477 332 D N 0.229 120.694 120.400 0.109 0.000 2.106 332 D HA -0.245 4.404 4.640 0.016 0.000 0.191 332 D C 2.079 178.453 176.300 0.124 0.000 0.997 332 D CA 2.223 56.312 54.000 0.148 0.000 0.834 332 D CB -0.391 40.286 40.800 -0.205 0.000 0.956 332 D HN 0.621 nan 8.370 nan 0.000 0.448 333 E N -0.447 119.765 120.200 0.020 0.000 2.204 333 E HA -0.000 4.359 4.350 0.016 0.000 0.194 333 E C 1.794 178.388 176.600 -0.011 0.000 0.989 333 E CA 1.109 57.517 56.400 0.013 0.000 0.824 333 E CB -0.477 29.218 29.700 -0.008 0.000 0.756 333 E HN 0.358 nan 8.360 nan 0.000 0.477 334 A N -0.285 122.490 122.820 -0.076 0.000 1.930 334 A HA -0.108 4.222 4.320 0.016 0.000 0.217 334 A C 1.869 179.321 177.584 -0.221 0.000 1.175 334 A CA 1.146 53.080 52.037 -0.171 0.000 0.627 334 A CB -0.810 18.030 19.000 -0.266 0.000 0.815 334 A HN 0.342 nan 8.150 nan 0.000 0.443 335 F N 0.859 120.712 119.950 -0.162 0.000 2.216 335 F HA -0.137 4.400 4.527 0.018 0.000 0.300 335 F C 1.993 177.725 175.800 -0.113 0.000 1.085 335 F CA 1.449 59.251 58.000 -0.331 0.000 1.326 335 F CB -0.378 38.414 39.000 -0.346 0.000 1.027 335 F HN 0.230 nan 8.300 nan 0.000 0.497 336 D N 0.183 120.668 120.400 0.141 0.000 2.097 336 D HA -0.144 4.506 4.640 0.016 0.000 0.195 336 D C 2.443 178.795 176.300 0.086 0.000 0.989 336 D CA 1.347 55.416 54.000 0.115 0.000 0.827 336 D CB -0.430 40.415 40.800 0.076 0.000 0.966 336 D HN 0.242 nan 8.370 nan 0.000 0.456 337 I N 0.416 121.010 120.570 0.040 0.000 2.493 337 I HA -0.165 4.014 4.170 0.016 0.000 0.254 337 I C 1.756 177.895 176.117 0.037 0.000 1.160 337 I CA 0.321 61.635 61.300 0.022 0.000 1.445 337 I CB 0.010 38.004 38.000 -0.010 0.000 1.086 337 I HN 0.008 nan 8.210 nan 0.000 0.433 338 L N 0.812 122.066 121.223 0.051 0.000 2.552 338 L HA 0.104 4.454 4.340 0.016 0.000 0.227 338 L C 1.445 178.463 176.870 0.246 0.000 1.146 338 L CA 1.106 56.014 54.840 0.113 0.000 0.858 338 L CB -1.532 40.570 42.059 0.072 0.000 0.969 338 L HN 0.509 nan 8.230 nan 0.000 0.451 339 G N -0.299 108.636 108.800 0.226 0.000 2.212 339 G HA2 -0.299 3.670 3.960 0.016 0.000 0.255 339 G HA3 -0.299 3.670 3.960 0.016 0.000 0.255 339 G C -0.058 175.008 174.900 0.276 0.000 1.062 339 G CA -0.312 44.907 45.100 0.197 0.000 0.815 339 G HN 0.129 nan 8.290 nan 0.000 0.497 340 F N 1.313 121.297 119.950 0.057 0.000 2.396 340 F HA 0.515 5.051 4.527 0.015 0.000 0.343 340 F C 1.538 177.338 175.800 -0.001 0.000 1.104 340 F CA -0.194 57.826 58.000 0.033 0.000 1.161 340 F CB 1.085 40.110 39.000 0.041 0.000 1.146 340 F HN 0.070 nan 8.300 nan 0.000 0.522 341 T N 2.874 117.482 114.554 0.090 0.000 2.701 341 T HA 0.012 4.372 4.350 0.016 0.000 0.303 341 T C 1.539 176.263 174.700 0.041 0.000 1.030 341 T CA -0.533 61.592 62.100 0.041 0.000 1.010 341 T CB 0.659 69.520 68.868 -0.011 0.000 1.007 341 T HN 0.628 nan 8.240 nan 0.000 0.532 342 K N 0.381 120.794 120.400 0.021 0.000 2.148 342 K HA -0.150 4.180 4.320 0.016 0.000 0.204 342 K C 2.216 178.804 176.600 -0.021 0.000 1.050 342 K CA 1.578 57.874 56.287 0.014 0.000 0.942 342 K CB 0.005 32.516 32.500 0.019 0.000 0.724 342 K HN 0.749 nan 8.250 nan 0.000 0.446 343 E N 0.497 120.676 120.200 -0.035 0.000 2.015 343 E HA -0.200 4.160 4.350 0.016 0.000 0.191 343 E C 1.709 178.240 176.600 -0.115 0.000 0.991 343 E CA 1.277 57.637 56.400 -0.067 0.000 0.802 343 E CB -0.385 29.276 29.700 -0.065 0.000 0.759 343 E HN 0.299 nan 8.360 nan 0.000 0.447 344 E N 1.106 121.242 120.200 -0.107 0.000 2.097 344 E HA -0.265 4.094 4.350 0.016 0.000 0.196 344 E C 2.125 178.608 176.600 -0.195 0.000 1.000 344 E CA 1.493 57.807 56.400 -0.143 0.000 0.804 344 E CB -0.168 29.480 29.700 -0.087 0.000 0.740 344 E HN 0.273 nan 8.360 nan 0.000 0.454 345 K N 0.921 121.209 120.400 -0.185 0.000 2.026 345 K HA -0.195 4.134 4.320 0.016 0.000 0.208 345 K C 2.159 178.403 176.600 -0.594 0.000 1.048 345 K CA 1.432 57.410 56.287 -0.515 0.000 0.929 345 K CB 0.078 32.375 32.500 -0.339 0.000 0.713 345 K HN 0.088 nan 8.250 nan 0.000 0.439 346 Q N -0.101 119.553 119.800 -0.243 0.000 2.167 346 Q HA -0.068 4.281 4.340 0.016 0.000 0.202 346 Q C 2.136 178.061 176.000 -0.126 0.000 0.970 346 Q CA 1.310 57.064 55.803 -0.082 0.000 0.855 346 Q CB 0.147 28.892 28.738 0.010 0.000 0.911 346 Q HN 0.266 nan 8.270 nan 0.000 0.438 347 S N 0.412 115.987 115.700 -0.209 0.000 2.382 347 S HA -0.097 4.382 4.470 0.016 0.000 0.228 347 S C 1.884 176.332 174.600 -0.253 0.000 1.027 347 S CA 0.862 58.928 58.200 -0.224 0.000 0.991 347 S CB -0.015 63.007 63.200 -0.297 0.000 0.823 347 S HN 0.291 nan 8.310 nan 0.000 0.469 348 M N 0.606 119.975 119.600 -0.384 0.000 2.067 348 M HA -0.007 4.483 4.480 0.016 0.000 0.260 348 M C 1.720 177.959 176.300 -0.102 0.000 1.069 348 M CA 1.533 56.609 55.300 -0.373 0.000 1.117 348 M CB -1.479 30.726 32.600 -0.659 0.000 1.334 348 M HN 0.285 nan 8.290 nan 0.000 0.407 349 F N 0.354 120.315 119.950 0.020 0.000 2.293 349 F HA -0.088 4.447 4.527 0.014 0.000 0.300 349 F C 2.430 178.272 175.800 0.070 0.000 1.086 349 F CA 0.836 58.896 58.000 0.100 0.000 1.375 349 F CB -1.143 37.948 39.000 0.150 0.000 1.045 349 F HN 0.179 nan 8.300 nan 0.000 0.516 350 K N -0.341 120.166 120.400 0.179 0.000 2.001 350 K HA -0.141 4.188 4.320 0.016 0.000 0.208 350 K C 2.194 178.859 176.600 0.108 0.000 1.048 350 K CA 1.620 57.976 56.287 0.114 0.000 0.932 350 K CB -0.431 32.080 32.500 0.019 0.000 0.715 350 K HN 0.230 nan 8.250 nan 0.000 0.437 351 C N 0.360 119.699 119.300 0.066 0.000 2.413 351 C HA -0.096 4.373 4.460 0.016 0.000 0.276 351 C C 2.646 177.747 174.990 0.184 0.000 1.248 351 C CA 1.161 60.235 59.018 0.092 0.000 1.742 351 C CB -0.903 26.850 27.740 0.023 0.000 2.017 351 C HN 0.565 nan 8.230 nan 0.000 0.481 352 T N 1.163 115.847 114.554 0.216 0.000 2.788 352 T HA -0.107 4.252 4.350 0.016 0.000 0.268 352 T C 2.061 176.927 174.700 0.277 0.000 1.044 352 T CA 1.611 63.882 62.100 0.284 0.000 1.139 352 T CB -0.339 68.659 68.868 0.216 0.000 0.867 352 T HN 0.661 nan 8.240 nan 0.000 0.454 353 A N 1.790 124.718 122.820 0.180 0.000 2.014 353 A HA -0.030 4.299 4.320 0.016 0.000 0.218 353 A C 2.565 180.199 177.584 0.084 0.000 1.163 353 A CA 1.718 53.799 52.037 0.074 0.000 0.652 353 A CB -0.745 18.318 19.000 0.106 0.000 0.808 353 A HN 0.587 nan 8.150 nan 0.000 0.449 354 S N 0.524 116.339 115.700 0.191 0.000 2.368 354 S HA -0.162 4.317 4.470 0.016 0.000 0.225 354 S C 1.883 176.599 174.600 0.193 0.000 1.030 354 S CA 1.399 59.735 58.200 0.226 0.000 0.999 354 S CB -0.826 62.486 63.200 0.185 0.000 0.844 354 S HN 0.481 nan 8.310 nan 0.000 0.459 355 I N 0.848 121.556 120.570 0.230 0.000 2.194 355 I HA -0.171 4.008 4.170 0.016 0.000 0.246 355 I C 2.510 178.712 176.117 0.141 0.000 1.093 355 I CA 1.135 62.599 61.300 0.272 0.000 1.355 355 I CB -0.473 37.775 38.000 0.413 0.000 1.046 355 I HN 0.293 nan 8.210 nan 0.000 0.413 356 L N 0.180 121.368 121.223 -0.057 0.000 2.131 356 L HA -0.229 4.121 4.340 0.016 0.000 0.210 356 L C 2.550 179.236 176.870 -0.307 0.000 1.092 356 L CA 1.930 56.552 54.840 -0.364 0.000 0.759 356 L CB -0.864 40.720 42.059 -0.792 0.000 0.903 356 L HN 0.284 nan 8.230 nan 0.000 0.435 357 H N -1.976 117.092 119.070 -0.002 0.000 2.415 357 H HA 0.053 4.619 4.556 0.017 0.000 0.297 357 H C 2.233 177.557 175.328 -0.007 0.000 1.048 357 H CA 1.238 57.316 56.048 0.050 0.000 1.365 357 H CB -0.131 29.673 29.762 0.070 0.000 1.421 357 H HN 0.329 nan 8.280 nan 0.000 0.533 358 M N 0.038 119.701 119.600 0.104 0.000 2.106 358 M HA -0.106 4.383 4.480 0.016 0.000 0.259 358 M C 2.331 178.522 176.300 -0.182 0.000 1.068 358 M CA 1.734 57.068 55.300 0.057 0.000 1.100 358 M CB -0.423 32.282 32.600 0.174 0.000 1.351 358 M HN 0.227 nan 8.290 nan 0.000 0.404 359 G N -0.630 107.822 108.800 -0.581 0.000 2.776 359 G HA2 -0.102 3.867 3.960 0.016 0.000 0.209 359 G HA3 -0.102 3.867 3.960 0.016 0.000 0.209 359 G C 1.293 175.870 174.900 -0.539 0.000 1.145 359 G CA 0.390 44.700 45.100 -1.315 0.000 0.791 359 G HN 0.366 nan 8.290 nan 0.000 0.530 360 E N -0.161 119.904 120.200 -0.225 0.000 2.431 360 E HA 0.136 4.495 4.350 0.016 0.000 0.200 360 E C 0.982 177.515 176.600 -0.112 0.000 0.995 360 E CA -0.161 56.173 56.400 -0.111 0.000 0.915 360 E CB 0.109 29.814 29.700 0.009 0.000 0.930 360 E HN 0.437 nan 8.360 nan 0.000 0.496 361 M N 2.310 121.843 119.600 -0.110 0.000 2.685 361 M HA -0.015 4.474 4.480 0.016 0.000 0.344 361 M C 0.172 176.223 176.300 -0.415 0.000 1.754 361 M CA 0.499 55.663 55.300 -0.226 0.000 1.263 361 M CB -0.197 32.338 32.600 -0.108 0.000 2.042 361 M HN -0.406 nan 8.290 nan 0.000 0.459 362 K N 2.640 122.773 120.400 -0.446 0.000 2.180 362 K HA 0.612 4.941 4.320 0.016 0.000 0.251 362 K C -0.938 175.192 176.600 -0.785 0.000 1.014 362 K CA 0.413 56.474 56.287 -0.376 0.000 0.913 362 K CB 0.675 33.053 32.500 -0.203 0.000 1.008 362 K HN 0.318 nan 8.250 nan 0.000 0.490 363 F N -0.758 119.189 119.950 -0.006 0.000 2.631 363 F HA 0.545 5.081 4.527 0.015 0.000 0.308 363 F C 0.248 176.048 175.800 0.000 0.000 1.097 363 F CA -0.949 57.051 58.000 -0.000 0.000 0.952 363 F CB 1.602 40.605 39.000 0.005 0.000 1.307 363 F HN 0.314 nan 8.300 nan 0.000 0.450 364 K N 1.142 121.661 120.400 0.199 0.000 2.208 364 K HA 0.601 4.930 4.320 0.016 0.000 0.247 364 K C -0.049 176.610 176.600 0.098 0.000 0.953 364 K CA -0.904 55.448 56.287 0.108 0.000 0.837 364 K CB 1.412 33.949 32.500 0.062 0.000 1.131 364 K HN 0.843 nan 8.250 nan 0.000 0.431 371 Q N 0.993 120.797 119.800 0.006 0.000 2.312 371 Q HA 0.702 5.052 4.340 0.016 0.000 0.236 371 Q C -0.049 175.959 176.000 0.013 0.000 0.965 371 Q CA 0.539 56.345 55.803 0.005 0.000 0.894 371 Q CB 1.580 30.324 28.738 0.009 0.000 1.225 371 Q HN 1.041 nan 8.270 nan 0.000 0.478 372 A N 2.592 125.418 122.820 0.009 0.000 2.269 372 A HA 0.752 5.082 4.320 0.016 0.000 0.327 372 A C -0.999 176.634 177.584 0.081 0.000 1.112 372 A CA -0.509 51.548 52.037 0.034 0.000 0.865 372 A CB 1.013 19.999 19.000 -0.023 0.000 1.227 372 A HN 0.837 nan 8.150 nan 0.000 0.498 373 E N -0.277 120.016 120.200 0.155 0.000 2.413 373 E HA 0.415 4.775 4.350 0.016 0.000 0.277 373 E C -1.245 175.516 176.600 0.267 0.000 0.958 373 E CA -0.835 55.669 56.400 0.173 0.000 0.779 373 E CB 2.067 31.823 29.700 0.092 0.000 1.278 373 E HN 0.504 nan 8.360 nan 0.000 0.456 374 S N 0.809 116.608 115.700 0.165 0.000 2.549 374 S HA 0.002 4.481 4.470 0.016 0.000 0.279 374 S C 0.250 174.801 174.600 -0.081 0.000 1.321 374 S CA -0.114 58.066 58.200 -0.033 0.000 1.054 374 S CB 0.622 63.786 63.200 -0.060 0.000 0.899 374 S HN 0.589 nan 8.310 nan 0.000 0.497 375 D N 1.269 121.559 120.400 -0.184 0.000 2.328 375 D HA 0.358 5.008 4.640 0.016 0.000 0.221 375 D C 0.672 176.901 176.300 -0.118 0.000 1.072 375 D CA 0.420 54.353 54.000 -0.112 0.000 0.850 375 D CB 0.011 40.747 40.800 -0.106 0.000 0.922 375 D HN 0.722 nan 8.370 nan 0.000 0.516 376 G N -2.049 106.665 108.800 -0.143 0.000 2.317 376 G HA2 0.249 4.219 3.960 0.016 0.000 0.293 376 G HA3 0.249 4.219 3.960 0.016 0.000 0.293 376 G C 0.115 174.941 174.900 -0.124 0.000 1.287 376 G CA 0.009 45.041 45.100 -0.114 0.000 0.850 376 G HN 0.050 nan 8.290 nan 0.000 0.515 377 T N -3.133 111.363 114.554 -0.096 0.000 3.131 377 T HA 0.504 4.864 4.350 0.016 0.000 0.283 377 T C 2.174 176.831 174.700 -0.072 0.000 0.906 377 T CA 1.362 63.413 62.100 -0.081 0.000 0.882 377 T CB 0.360 69.196 68.868 -0.052 0.000 1.208 377 T HN 1.691 nan 8.240 nan 0.000 0.561 378 A N 2.380 125.155 122.820 -0.074 0.000 1.896 378 A HA -0.230 4.100 4.320 0.016 0.000 0.220 378 A C 2.226 179.766 177.584 -0.073 0.000 1.206 378 A CA 2.308 54.303 52.037 -0.071 0.000 0.647 378 A CB -0.748 18.212 19.000 -0.067 0.000 0.828 378 A HN 0.420 nan 8.150 nan 0.000 0.455 379 E N -0.315 119.844 120.200 -0.068 0.000 2.023 379 E HA -0.082 4.277 4.350 0.016 0.000 0.196 379 E C 2.355 178.939 176.600 -0.026 0.000 1.003 379 E CA 1.576 57.950 56.400 -0.043 0.000 0.809 379 E CB -0.825 28.850 29.700 -0.041 0.000 0.755 379 E HN 0.565 nan 8.360 nan 0.000 0.449 380 A N 0.837 123.640 122.820 -0.029 0.000 1.978 380 A HA -0.254 4.075 4.320 0.016 0.000 0.220 380 A C 1.990 179.583 177.584 0.014 0.000 1.170 380 A CA 1.862 53.903 52.037 0.007 0.000 0.636 380 A CB -0.558 18.443 19.000 0.003 0.000 0.810 380 A HN 0.278 nan 8.150 nan 0.000 0.448 381 E N -0.247 119.947 120.200 -0.011 0.000 2.106 381 E HA -0.172 4.187 4.350 0.016 0.000 0.192 381 E C 2.012 178.631 176.600 0.030 0.000 0.984 381 E CA 1.298 57.699 56.400 0.001 0.000 0.806 381 E CB -0.105 29.572 29.700 -0.039 0.000 0.750 381 E HN 0.633 nan 8.360 nan 0.000 0.458 382 K N 0.415 120.796 120.400 -0.032 0.000 2.002 382 K HA -0.121 4.209 4.320 0.016 0.000 0.209 382 K C 2.212 178.847 176.600 0.059 0.000 1.048 382 K CA 1.218 57.466 56.287 -0.065 0.000 0.930 382 K CB -0.223 32.029 32.500 -0.414 0.000 0.714 382 K HN -0.047 nan 8.250 nan 0.000 0.438 383 V N 1.669 121.626 119.914 0.072 0.000 2.231 383 V HA -0.322 3.807 4.120 0.016 0.000 0.248 383 V C 2.413 178.563 176.094 0.094 0.000 1.054 383 V CA 2.240 64.611 62.300 0.118 0.000 1.015 383 V CB -0.847 31.045 31.823 0.114 0.000 0.638 383 V HN 0.428 nan 8.190 nan 0.000 0.444 384 A N -0.718 122.152 122.820 0.083 0.000 1.908 384 A HA -0.267 4.062 4.320 0.016 0.000 0.218 384 A C 2.120 179.766 177.584 0.103 0.000 1.181 384 A CA 2.218 54.299 52.037 0.072 0.000 0.627 384 A CB -0.757 18.282 19.000 0.065 0.000 0.818 384 A HN 0.541 nan 8.150 nan 0.000 0.445 385 F N 0.526 120.469 119.950 -0.011 0.000 2.102 385 F HA -0.119 4.418 4.527 0.016 0.000 0.298 385 F C 1.882 177.684 175.800 0.004 0.000 1.105 385 F CA 1.674 59.668 58.000 -0.010 0.000 1.239 385 F CB -0.411 38.576 39.000 -0.022 0.000 0.991 385 F HN 0.136 nan 8.300 nan 0.000 0.474 386 L N -0.971 120.206 121.223 -0.076 0.000 2.141 386 L HA -0.239 4.110 4.340 0.016 0.000 0.209 386 L C 2.197 178.990 176.870 -0.127 0.000 1.094 386 L CA 0.918 55.668 54.840 -0.150 0.000 0.763 386 L CB -0.721 41.366 42.059 0.047 0.000 0.908 386 L HN 0.224 nan 8.230 nan 0.000 0.437 387 C N 0.137 119.400 119.300 -0.061 0.000 2.626 387 C HA 0.294 4.764 4.460 0.016 0.000 0.266 387 C C 1.610 176.553 174.990 -0.080 0.000 1.317 387 C CA 0.177 59.164 59.018 -0.052 0.000 1.716 387 C CB -1.250 26.480 27.740 -0.016 0.000 1.819 387 C HN 0.769 nan 8.230 nan 0.000 0.578 388 G N 2.123 110.855 108.800 -0.114 0.000 2.298 388 G HA2 -0.226 3.744 3.960 0.016 0.000 0.287 388 G HA3 -0.226 3.744 3.960 0.016 0.000 0.287 388 G C -0.269 174.603 174.900 -0.046 0.000 1.075 388 G CA 0.694 45.736 45.100 -0.097 0.000 0.960 388 G HN 0.863 nan 8.290 nan 0.000 0.502 389 I N -3.716 116.843 120.570 -0.019 0.000 3.102 389 I HA 0.650 4.830 4.170 0.016 0.000 0.310 389 I C -0.392 175.737 176.117 0.020 0.000 1.246 389 I CA -1.753 59.542 61.300 -0.008 0.000 0.979 389 I CB 1.785 39.768 38.000 -0.028 0.000 1.267 389 I HN 0.058 nan 8.210 nan 0.000 0.451 390 N N 2.465 121.175 118.700 0.016 0.000 2.497 390 N HA 0.407 5.157 4.740 0.016 0.000 0.268 390 N C 0.936 176.461 175.510 0.024 0.000 1.171 390 N CA 0.570 53.636 53.050 0.026 0.000 0.948 390 N CB 1.900 40.397 38.487 0.017 0.000 1.069 390 N HN 0.822 nan 8.380 nan 0.000 0.460 391 A N 3.490 126.329 122.820 0.032 0.000 1.883 391 A HA -0.078 4.252 4.320 0.016 0.000 0.217 391 A C 2.028 179.625 177.584 0.023 0.000 1.186 391 A CA 1.861 53.914 52.037 0.028 0.000 0.624 391 A CB -1.520 17.493 19.000 0.022 0.000 0.822 391 A HN 0.826 nan 8.150 nan 0.000 0.444 392 G N -0.287 108.523 108.800 0.017 0.000 2.442 392 G HA2 -0.265 3.704 3.960 0.016 0.000 0.219 392 G HA3 -0.265 3.704 3.960 0.016 0.000 0.219 392 G C 1.072 175.983 174.900 0.018 0.000 1.141 392 G CA 1.416 46.526 45.100 0.017 0.000 0.763 392 G HN 0.515 nan 8.290 nan 0.000 0.554 393 D N -0.070 120.338 120.400 0.014 0.000 2.097 393 D HA -0.100 4.550 4.640 0.016 0.000 0.195 393 D C 2.284 178.591 176.300 0.011 0.000 0.989 393 D CA 0.707 54.712 54.000 0.009 0.000 0.827 393 D CB -0.312 40.489 40.800 0.001 0.000 0.966 393 D HN 0.247 nan 8.370 nan 0.000 0.456 394 L N 0.367 121.599 121.223 0.014 0.000 1.970 394 L HA -0.141 4.208 4.340 0.016 0.000 0.212 394 L C 2.033 178.928 176.870 0.042 0.000 1.071 394 L CA 1.565 56.417 54.840 0.021 0.000 0.751 394 L CB -0.658 41.417 42.059 0.027 0.000 0.889 394 L HN 0.063 nan 8.230 nan 0.000 0.432 395 L N -0.132 121.124 121.223 0.054 0.000 2.089 395 L HA -0.305 4.045 4.340 0.016 0.000 0.213 395 L C 2.960 179.873 176.870 0.072 0.000 1.079 395 L CA 2.254 57.144 54.840 0.082 0.000 0.758 395 L CB -1.110 40.990 42.059 0.068 0.000 0.891 395 L HN 0.443 nan 8.230 nan 0.000 0.433 396 K N 0.005 120.431 120.400 0.044 0.000 1.984 396 K HA 0.049 4.378 4.320 0.016 0.000 0.209 396 K C 2.136 178.752 176.600 0.025 0.000 1.046 396 K CA 1.219 57.526 56.287 0.033 0.000 0.934 396 K CB -1.451 31.062 32.500 0.021 0.000 0.717 396 K HN 0.382 nan 8.250 nan 0.000 0.438 397 A N -0.221 122.610 122.820 0.017 0.000 2.272 397 A HA 0.202 4.532 4.320 0.016 0.000 0.213 397 A C 2.124 179.713 177.584 0.010 0.000 1.183 397 A CA 1.449 53.491 52.037 0.008 0.000 0.719 397 A CB -0.345 18.653 19.000 -0.003 0.000 0.771 397 A HN 0.419 nan 8.150 nan 0.000 0.484 398 L N -1.670 119.567 121.223 0.023 0.000 2.349 398 L HA 0.290 4.639 4.340 0.016 0.000 0.200 398 L C 2.063 178.926 176.870 -0.011 0.000 1.064 398 L CA 1.202 56.052 54.840 0.017 0.000 0.821 398 L CB -0.301 41.795 42.059 0.062 0.000 1.027 398 L HN 0.338 nan 8.230 nan 0.000 0.476 399 L N -0.818 120.413 121.223 0.013 0.000 2.270 399 L HA 0.010 4.359 4.340 0.016 0.000 0.210 399 L C 0.176 177.043 176.870 -0.005 0.000 1.104 399 L CA 0.702 55.539 54.840 -0.004 0.000 0.804 399 L CB -0.013 42.073 42.059 0.044 0.000 0.937 399 L HN 0.092 nan 8.230 nan 0.000 0.450 400 K N -0.118 120.285 120.400 0.004 0.000 2.832 400 K HA 0.304 4.633 4.320 0.016 0.000 0.243 400 K C -2.599 174.004 176.600 0.004 0.000 1.117 400 K CA -1.487 54.801 56.287 0.003 0.000 1.068 400 K CB 1.622 34.127 32.500 0.008 0.000 1.286 400 K HN -0.234 nan 8.250 nan 0.000 0.553 401 P HA 0.019 nan 4.420 nan 0.000 0.269 401 P C -0.617 176.685 177.300 0.003 0.000 1.209 401 P CA -0.100 63.001 63.100 0.002 0.000 0.776 401 P CB 0.524 32.224 31.700 0.001 0.000 0.876 402 K N 2.263 122.665 120.400 0.003 0.000 2.530 402 K HA 0.454 4.783 4.320 0.016 0.000 0.230 402 K C -0.345 176.258 176.600 0.005 0.000 1.002 402 K CA -0.599 55.691 56.287 0.004 0.000 1.014 402 K CB 0.581 33.083 32.500 0.004 0.000 1.286 402 K HN 0.355 nan 8.250 nan 0.000 0.480 403 V N 1.501 121.418 119.914 0.006 0.000 3.882 403 V HA 0.755 4.884 4.120 0.016 0.000 0.271 403 V C -0.219 175.880 176.094 0.008 0.000 1.026 403 V CA 0.493 62.797 62.300 0.008 0.000 0.841 403 V CB 1.565 33.393 31.823 0.009 0.000 1.206 403 V HN 1.120 nan 8.190 nan 0.000 0.404 410 V N 1.169 121.087 119.914 0.006 0.000 2.380 410 V HA 0.395 4.525 4.120 0.016 0.000 0.272 410 V C -0.201 175.897 176.094 0.006 0.000 1.011 410 V CA -0.391 61.913 62.300 0.007 0.000 0.826 410 V CB 0.869 32.697 31.823 0.008 0.000 1.040 410 V HN 0.896 nan 8.190 nan 0.000 0.441 411 T N 4.607 119.165 114.554 0.006 0.000 2.817 411 T HA 0.465 4.824 4.350 0.016 0.000 0.295 411 T C 0.512 175.215 174.700 0.005 0.000 0.958 411 T CA 0.326 62.429 62.100 0.005 0.000 1.157 411 T CB 0.505 69.376 68.868 0.005 0.000 0.898 411 T HN 0.899 nan 8.240 nan 0.000 0.536 412 K N 1.578 121.980 120.400 0.004 0.000 2.139 412 K HA 0.781 5.111 4.320 0.016 0.000 0.243 412 K C 0.343 176.943 176.600 -0.000 0.000 0.983 412 K CA -0.595 55.694 56.287 0.002 0.000 0.890 412 K CB 1.251 33.752 32.500 0.002 0.000 1.090 412 K HN 0.795 nan 8.250 nan 0.000 0.445 413 G N 2.085 110.884 108.800 -0.002 0.000 2.588 413 G HA2 0.474 4.443 3.960 0.016 0.000 0.312 413 G HA3 0.474 4.443 3.960 0.016 0.000 0.312 413 G C -0.702 174.191 174.900 -0.011 0.000 1.257 413 G CA -0.328 44.769 45.100 -0.004 0.000 0.994 413 G HN 0.434 nan 8.290 nan 0.000 0.498 414 Q N 1.032 120.820 119.800 -0.020 0.000 2.230 414 Q HA 0.251 4.601 4.340 0.016 0.000 0.248 414 Q C 0.222 176.197 176.000 -0.043 0.000 0.915 414 Q CA -0.545 55.236 55.803 -0.036 0.000 0.900 414 Q CB 1.953 30.658 28.738 -0.055 0.000 1.229 414 Q HN 0.821 nan 8.270 nan 0.000 0.439 415 N N -0.354 118.318 118.700 -0.046 0.000 2.530 415 N HA 0.232 4.981 4.740 0.016 0.000 0.283 415 N C 0.732 176.197 175.510 -0.075 0.000 1.238 415 N CA -0.643 52.382 53.050 -0.042 0.000 0.971 415 N CB 0.519 38.991 38.487 -0.025 0.000 1.195 415 N HN 0.413 nan 8.380 nan 0.000 0.583 416 M N 0.645 120.211 119.600 -0.057 0.000 2.352 416 M HA -0.288 4.201 4.480 0.016 0.000 0.260 416 M C 1.051 177.288 176.300 -0.105 0.000 1.068 416 M CA 2.209 57.465 55.300 -0.074 0.000 1.082 416 M CB -1.181 31.411 32.600 -0.014 0.000 1.262 416 M HN 0.714 nan 8.290 nan 0.000 0.444 417 N N -1.115 117.552 118.700 -0.056 0.000 2.043 417 N HA -0.230 4.520 4.740 0.016 0.000 0.193 417 N C 1.688 177.162 175.510 -0.061 0.000 1.037 417 N CA 1.722 54.746 53.050 -0.044 0.000 0.851 417 N CB -0.326 38.150 38.487 -0.019 0.000 1.027 417 N HN 0.560 nan 8.380 nan 0.000 0.422 418 Q N 0.374 120.139 119.800 -0.059 0.000 2.217 418 Q HA -0.164 4.186 4.340 0.016 0.000 0.209 418 Q C 2.083 178.030 176.000 -0.088 0.000 0.988 418 Q CA 1.161 56.931 55.803 -0.055 0.000 0.878 418 Q CB -0.046 28.665 28.738 -0.045 0.000 0.909 418 Q HN 0.289 nan 8.270 nan 0.000 0.424 419 V N 0.257 120.072 119.914 -0.166 0.000 2.346 419 V HA -0.165 3.965 4.120 0.016 0.000 0.244 419 V C 2.225 178.164 176.094 -0.258 0.000 1.037 419 V CA 1.525 63.657 62.300 -0.281 0.000 1.029 419 V CB -0.297 31.198 31.823 -0.546 0.000 0.663 419 V HN 0.382 nan 8.190 nan 0.000 0.454 420 V N -1.275 118.506 119.914 -0.223 0.000 3.078 420 V HA -0.084 4.045 4.120 0.016 0.000 0.265 420 V C 1.683 177.799 176.094 0.038 0.000 1.122 420 V CA 2.188 64.454 62.300 -0.058 0.000 1.141 420 V CB -1.114 30.715 31.823 0.010 0.000 0.735 420 V HN 0.502 nan 8.190 nan 0.000 0.498 421 N N 0.105 118.806 118.700 0.003 0.000 2.388 421 N HA 0.068 4.817 4.740 0.016 0.000 0.176 421 N C 1.861 177.394 175.510 0.037 0.000 1.062 421 N CA 1.075 54.143 53.050 0.030 0.000 0.895 421 N CB 0.318 38.810 38.487 0.010 0.000 1.018 421 N HN 0.461 nan 8.380 nan 0.000 0.456 422 S N -0.773 114.935 115.700 0.012 0.000 2.446 422 S HA 0.080 4.560 4.470 0.016 0.000 0.225 422 S C 1.720 176.363 174.600 0.071 0.000 1.016 422 S CA 0.430 58.645 58.200 0.025 0.000 0.943 422 S CB -0.051 63.140 63.200 -0.014 0.000 0.786 422 S HN 0.033 nan 8.310 nan 0.000 0.508 423 V N 1.309 121.281 119.914 0.097 0.000 2.453 423 V HA 0.023 4.153 4.120 0.016 0.000 0.247 423 V C 2.667 178.917 176.094 0.260 0.000 1.048 423 V CA 1.710 64.119 62.300 0.183 0.000 1.049 423 V CB -1.235 30.720 31.823 0.221 0.000 0.672 423 V HN 0.593 nan 8.190 nan 0.000 0.457 424 G N -0.276 108.672 108.800 0.247 0.000 2.422 424 G HA2 -0.206 3.763 3.960 0.016 0.000 0.218 424 G HA3 -0.206 3.763 3.960 0.016 0.000 0.218 424 G C 1.696 176.652 174.900 0.093 0.000 1.146 424 G CA 1.001 46.206 45.100 0.175 0.000 0.769 424 G HN 0.595 nan 8.290 nan 0.000 0.547 425 A N 0.075 122.954 122.820 0.098 0.000 2.014 425 A HA 0.225 4.554 4.320 0.016 0.000 0.218 425 A C 2.287 179.950 177.584 0.131 0.000 1.163 425 A CA 1.403 53.495 52.037 0.091 0.000 0.652 425 A CB -0.241 18.804 19.000 0.074 0.000 0.808 425 A HN 0.439 nan 8.150 nan 0.000 0.449 426 L N -0.474 120.841 121.223 0.153 0.000 2.044 426 L HA 0.079 4.428 4.340 0.016 0.000 0.205 426 L C 2.616 179.623 176.870 0.229 0.000 1.075 426 L CA 1.963 56.914 54.840 0.186 0.000 0.747 426 L CB -0.636 41.514 42.059 0.152 0.000 0.903 426 L HN 0.286 nan 8.230 nan 0.000 0.435 427 A N 0.011 122.970 122.820 0.231 0.000 1.873 427 A HA -0.274 4.056 4.320 0.016 0.000 0.218 427 A C 2.321 180.042 177.584 0.228 0.000 1.193 427 A CA 2.333 54.522 52.037 0.253 0.000 0.629 427 A CB -0.626 18.526 19.000 0.255 0.000 0.826 427 A HN 0.542 nan 8.150 nan 0.000 0.447 428 K N -0.612 119.877 120.400 0.148 0.000 2.097 428 K HA -0.086 4.244 4.320 0.016 0.000 0.205 428 K C 2.393 179.105 176.600 0.186 0.000 1.050 428 K CA 1.326 57.700 56.287 0.145 0.000 0.938 428 K CB -0.223 32.322 32.500 0.075 0.000 0.718 428 K HN 0.447 nan 8.250 nan 0.000 0.442 429 S N 0.991 116.799 115.700 0.181 0.000 2.406 429 S HA -0.077 4.402 4.470 0.016 0.000 0.228 429 S C 1.859 176.553 174.600 0.157 0.000 1.020 429 S CA 0.564 58.861 58.200 0.161 0.000 0.965 429 S CB -0.078 63.242 63.200 0.201 0.000 0.798 429 S HN 0.223 nan 8.310 nan 0.000 0.488 430 L N 0.625 122.004 121.223 0.260 0.000 1.988 430 L HA 0.082 4.431 4.340 0.016 0.000 0.207 430 L C 1.989 178.973 176.870 0.191 0.000 1.071 430 L CA 2.053 57.045 54.840 0.254 0.000 0.744 430 L CB -1.319 40.941 42.059 0.335 0.000 0.893 430 L HN 0.436 nan 8.230 nan 0.000 0.433 431 Y N 0.458 120.851 120.300 0.155 0.000 2.114 431 Y HA -0.354 4.203 4.550 0.012 0.000 0.282 431 Y C 2.465 178.428 175.900 0.104 0.000 1.165 431 Y CA 2.360 60.556 58.100 0.160 0.000 1.148 431 Y CB -0.342 38.234 38.460 0.193 0.000 0.972 431 Y HN 0.526 nan 8.280 nan 0.000 0.504 432 D N -0.824 119.718 120.400 0.237 0.000 2.097 432 D HA -0.169 4.481 4.640 0.016 0.000 0.195 432 D C 2.128 178.459 176.300 0.052 0.000 0.989 432 D CA 1.585 55.663 54.000 0.130 0.000 0.827 432 D CB -0.070 40.797 40.800 0.111 0.000 0.966 432 D HN 0.267 nan 8.370 nan 0.000 0.456 433 R N -0.492 119.999 120.500 -0.015 0.000 2.120 433 R HA -0.069 4.280 4.340 0.016 0.000 0.234 433 R C 2.380 178.657 176.300 -0.038 0.000 1.123 433 R CA 1.302 57.351 56.100 -0.085 0.000 0.975 433 R CB -0.336 29.796 30.300 -0.280 0.000 0.866 433 R HN 0.350 nan 8.270 nan 0.000 0.446 434 M N -0.080 119.483 119.600 -0.061 0.000 2.099 434 M HA -0.138 4.351 4.480 0.016 0.000 0.262 434 M C 1.869 178.120 176.300 -0.081 0.000 1.067 434 M CA 1.626 56.871 55.300 -0.092 0.000 1.124 434 M CB -0.137 32.351 32.600 -0.186 0.000 1.353 434 M HN 0.104 nan 8.290 nan 0.000 0.410 435 F N 1.330 121.104 119.950 -0.294 0.000 2.134 435 F HA -0.253 4.279 4.527 0.009 0.000 0.299 435 F C 1.990 177.670 175.800 -0.200 0.000 1.097 435 F CA 1.883 59.693 58.000 -0.317 0.000 1.264 435 F CB -0.398 38.413 39.000 -0.316 0.000 1.001 435 F HN 0.283 nan 8.300 nan 0.000 0.479 436 N N -0.536 118.196 118.700 0.054 0.000 2.223 436 N HA -0.236 4.514 4.740 0.016 0.000 0.185 436 N C 1.597 177.050 175.510 -0.095 0.000 1.016 436 N CA 1.434 54.468 53.050 -0.026 0.000 0.863 436 N CB -0.898 37.601 38.487 0.020 0.000 0.983 436 N HN 0.560 nan 8.380 nan 0.000 0.429 437 W N 2.142 123.325 121.300 -0.195 0.000 2.379 437 W HA -0.007 4.663 4.660 0.016 0.000 0.307 437 W C 2.192 178.579 176.519 -0.220 0.000 1.200 437 W CA 0.726 57.954 57.345 -0.195 0.000 1.297 437 W CB -0.576 28.768 29.460 -0.193 0.000 1.140 437 W HN -0.013 nan 8.180 nan 0.000 0.507 438 L N 0.143 121.329 121.223 -0.062 0.000 1.990 438 L HA -0.275 4.074 4.340 0.016 0.000 0.213 438 L C 2.174 178.803 176.870 -0.402 0.000 1.072 438 L CA 2.097 56.809 54.840 -0.213 0.000 0.755 438 L CB -0.990 40.858 42.059 -0.353 0.000 0.889 438 L HN -0.072 nan 8.230 nan 0.000 0.432 439 V N 0.102 119.728 119.914 -0.479 0.000 2.332 439 V HA -0.303 3.827 4.120 0.016 0.000 0.248 439 V C 2.664 178.552 176.094 -0.342 0.000 1.055 439 V CA 2.039 64.092 62.300 -0.412 0.000 1.038 439 V CB -0.711 30.872 31.823 -0.400 0.000 0.651 439 V HN 0.471 nan 8.190 nan 0.000 0.450 440 R N -0.594 119.668 120.500 -0.396 0.000 2.115 440 R HA -0.106 4.244 4.340 0.016 0.000 0.226 440 R C 2.495 178.499 176.300 -0.494 0.000 1.100 440 R CA 1.065 56.930 56.100 -0.392 0.000 0.980 440 R CB -0.273 29.789 30.300 -0.397 0.000 0.875 440 R HN 0.286 nan 8.270 nan 0.000 0.445 441 R N 0.871 120.932 120.500 -0.732 0.000 2.075 441 R HA -0.048 4.302 4.340 0.016 0.000 0.232 441 R C 1.937 178.023 176.300 -0.357 0.000 1.126 441 R CA 1.270 56.900 56.100 -0.782 0.000 0.963 441 R CB -0.776 28.712 30.300 -1.353 0.000 0.858 441 R HN -0.015 nan 8.270 nan 0.000 0.435 442 V N 1.656 121.452 119.914 -0.197 0.000 2.490 442 V HA -0.219 3.910 4.120 0.016 0.000 0.250 442 V C 1.818 177.837 176.094 -0.125 0.000 1.061 442 V CA 1.970 64.228 62.300 -0.070 0.000 1.064 442 V CB -0.587 31.178 31.823 -0.098 0.000 0.670 442 V HN 0.406 nan 8.190 nan 0.000 0.461 443 N N -0.069 118.522 118.700 -0.181 0.000 2.270 443 N HA -0.130 4.620 4.740 0.016 0.000 0.181 443 N C 1.848 177.269 175.510 -0.149 0.000 1.016 443 N CA 0.911 53.869 53.050 -0.155 0.000 0.870 443 N CB -0.126 38.264 38.487 -0.162 0.000 0.979 443 N HN 0.320 nan 8.380 nan 0.000 0.431 444 K N 0.597 120.884 120.400 -0.189 0.000 2.063 444 K HA -0.002 4.327 4.320 0.016 0.000 0.208 444 K C 2.047 178.571 176.600 -0.127 0.000 1.048 444 K CA 1.168 57.353 56.287 -0.171 0.000 0.928 444 K CB -0.883 31.484 32.500 -0.222 0.000 0.713 444 K HN 0.121 nan 8.250 nan 0.000 0.442 445 T N 1.132 115.620 114.554 -0.111 0.000 2.746 445 T HA -0.073 4.287 4.350 0.016 0.000 0.267 445 T C 1.604 176.268 174.700 -0.059 0.000 1.039 445 T CA 1.199 63.261 62.100 -0.063 0.000 1.142 445 T CB -0.149 68.714 68.868 -0.008 0.000 0.866 445 T HN 0.098 nan 8.240 nan 0.000 0.444 446 L N 0.796 121.978 121.223 -0.068 0.000 2.478 446 L HA 0.107 4.457 4.340 0.016 0.000 0.223 446 L C 1.189 178.019 176.870 -0.067 0.000 1.140 446 L CA 0.434 55.235 54.840 -0.065 0.000 0.842 446 L CB -0.337 41.680 42.059 -0.070 0.000 0.953 446 L HN 0.139 nan 8.230 nan 0.000 0.452 447 D N 1.546 121.899 120.400 -0.079 0.000 2.845 447 D HA 0.003 4.652 4.640 0.016 0.000 0.235 447 D C 0.604 176.858 176.300 -0.077 0.000 1.158 447 D CA -0.182 53.768 54.000 -0.084 0.000 0.990 447 D CB 0.005 40.747 40.800 -0.096 0.000 1.094 447 D HN 0.115 nan 8.370 nan 0.000 0.486 448 T N -0.871 113.643 114.554 -0.067 0.000 2.926 448 T HA 0.098 4.457 4.350 0.016 0.000 0.307 448 T C 0.873 175.534 174.700 -0.066 0.000 1.059 448 T CA -0.626 61.439 62.100 -0.059 0.000 1.122 448 T CB 1.158 69.996 68.868 -0.050 0.000 0.972 448 T HN -0.051 nan 8.240 nan 0.000 0.545 449 K N 1.766 122.130 120.400 -0.060 0.000 2.911 449 K HA 0.461 4.790 4.320 0.016 0.000 0.239 449 K C 0.645 177.212 176.600 -0.055 0.000 1.090 449 K CA -0.164 56.085 56.287 -0.063 0.000 1.225 449 K CB -0.757 31.710 32.500 -0.055 0.000 1.087 449 K HN 0.817 nan 8.250 nan 0.000 0.464 450 A N 0.697 123.486 122.820 -0.053 0.000 2.386 450 A HA 0.248 4.578 4.320 0.016 0.000 0.248 450 A C -0.024 177.536 177.584 -0.041 0.000 1.082 450 A CA -0.410 51.604 52.037 -0.039 0.000 0.789 450 A CB 0.282 19.264 19.000 -0.031 0.000 1.025 450 A HN 0.247 nan 8.150 nan 0.000 0.490 451 K N 0.876 121.260 120.400 -0.026 0.000 2.382 451 K HA 0.257 4.587 4.320 0.016 0.000 0.275 451 K C 0.260 176.854 176.600 -0.010 0.000 1.009 451 K CA 0.447 56.720 56.287 -0.024 0.000 0.970 451 K CB 0.237 32.728 32.500 -0.015 0.000 0.934 451 K HN 0.783 nan 8.250 nan 0.000 0.479 452 R N 2.268 122.758 120.500 -0.018 0.000 2.836 452 R HA 0.487 4.836 4.340 0.016 0.000 0.269 452 R C -0.348 175.946 176.300 -0.009 0.000 1.010 452 R CA -1.036 55.077 56.100 0.021 0.000 0.930 452 R CB 1.129 31.438 30.300 0.016 0.000 1.218 452 R HN 0.483 nan 8.270 nan 0.000 0.473 453 N N -0.866 117.846 118.700 0.020 0.000 2.782 453 N HA 0.179 4.928 4.740 0.016 0.000 0.244 453 N C -0.666 174.612 175.510 -0.387 0.000 1.029 453 N CA 0.738 53.683 53.050 -0.175 0.000 0.999 453 N CB 0.401 38.842 38.487 -0.076 0.000 1.634 453 N HN 0.391 nan 8.380 nan 0.000 0.478 454 Y N -0.663 119.738 120.300 0.168 0.000 2.677 454 Y HA 0.425 4.983 4.550 0.014 0.000 0.334 454 Y C -0.785 175.286 175.900 0.285 0.000 1.154 454 Y CA -1.234 56.934 58.100 0.113 0.000 1.070 454 Y CB 1.061 39.497 38.460 -0.041 0.000 1.294 454 Y HN 0.036 nan 8.280 nan 0.000 0.475 455 Y N -1.346 119.180 120.300 0.376 0.000 2.677 455 Y HA 0.885 5.442 4.550 0.013 0.000 0.334 455 Y C -1.797 174.222 175.900 0.198 0.000 1.154 455 Y CA -2.343 55.910 58.100 0.254 0.000 1.070 455 Y CB 1.210 39.616 38.460 -0.091 0.000 1.294 455 Y HN 0.395 nan 8.280 nan 0.000 0.475 456 I N 1.852 122.753 120.570 0.553 0.000 2.447 456 I HA 0.604 4.783 4.170 0.016 0.000 0.287 456 I C -0.227 176.089 176.117 0.332 0.000 1.023 456 I CA -0.993 60.534 61.300 0.377 0.000 1.083 456 I CB 2.001 40.202 38.000 0.334 0.000 1.245 456 I HN 0.967 nan 8.210 nan 0.000 0.434 457 G N 5.534 114.546 108.800 0.352 0.000 2.416 457 G HA2 0.617 4.586 3.960 0.016 0.000 0.324 457 G HA3 0.617 4.586 3.960 0.016 0.000 0.324 457 G C -0.945 174.086 174.900 0.218 0.000 1.194 457 G CA -0.372 44.797 45.100 0.114 0.000 0.922 457 G HN 0.310 nan 8.290 nan 0.000 0.467 458 V N 3.110 123.088 119.914 0.107 0.000 2.417 458 V HA 0.461 4.591 4.120 0.016 0.000 0.291 458 V C -0.440 175.820 176.094 0.276 0.000 1.024 458 V CA -0.788 61.614 62.300 0.170 0.000 0.861 458 V CB 1.344 33.226 31.823 0.098 0.000 0.985 458 V HN 0.664 nan 8.190 nan 0.000 0.436 459 L N 4.318 125.716 121.223 0.291 0.000 2.322 459 L HA 0.771 5.120 4.340 0.016 0.000 0.281 459 L C -0.833 176.128 176.870 0.152 0.000 1.014 459 L CA 0.146 55.158 54.840 0.288 0.000 0.815 459 L CB 1.704 43.859 42.059 0.159 0.000 1.247 459 L HN 0.735 nan 8.230 nan 0.000 0.421 460 D N 4.728 125.209 120.400 0.136 0.000 2.346 460 D HA 0.475 5.125 4.640 0.016 0.000 0.255 460 D C -1.124 175.199 176.300 0.039 0.000 1.276 460 D CA -0.237 53.803 54.000 0.066 0.000 0.941 460 D CB 0.487 41.309 40.800 0.038 0.000 1.199 460 D HN 0.394 nan 8.370 nan 0.000 0.537 461 I N 0.013 120.597 120.570 0.024 0.000 3.067 461 I HA 0.907 5.087 4.170 0.016 0.000 0.312 461 I C 0.098 176.216 176.117 0.002 0.000 1.073 461 I CA -1.656 59.649 61.300 0.009 0.000 1.016 461 I CB 1.156 39.142 38.000 -0.024 0.000 1.227 461 I HN 0.221 nan 8.210 nan 0.000 0.456 462 A N 1.518 124.341 122.820 0.004 0.000 2.407 462 A HA 0.707 5.036 4.320 0.016 0.000 0.248 462 A C 0.557 178.151 177.584 0.017 0.000 1.082 462 A CA 0.224 52.269 52.037 0.014 0.000 0.785 462 A CB -0.566 18.450 19.000 0.026 0.000 1.020 462 A HN 1.184 nan 8.150 nan 0.000 0.489 463 G N -0.351 108.464 108.800 0.026 0.000 2.543 463 G HA2 0.454 4.424 3.960 0.016 0.000 0.290 463 G HA3 0.454 4.424 3.960 0.016 0.000 0.290 463 G C -0.142 174.797 174.900 0.066 0.000 1.310 463 G CA -0.678 44.451 45.100 0.048 0.000 1.025 463 G HN 0.716 nan 8.290 nan 0.000 0.502 464 F N -0.043 119.874 119.950 -0.054 0.000 2.589 464 F HA 0.422 4.951 4.527 0.003 0.000 0.352 464 F C 0.490 176.224 175.800 -0.110 0.000 1.168 464 F CA 1.065 59.022 58.000 -0.073 0.000 1.353 464 F CB 0.390 39.356 39.000 -0.057 0.000 1.116 464 F HN 0.722 nan 8.300 nan 0.000 0.608 465 E N 5.623 125.268 120.200 -0.925 0.000 2.354 465 E HA 0.598 4.958 4.350 0.016 0.000 0.283 465 E C -1.651 174.335 176.600 -1.023 0.000 0.938 465 E CA -0.668 55.251 56.400 -0.801 0.000 0.777 465 E CB 1.072 30.393 29.700 -0.631 0.000 1.222 465 E HN 0.700 nan 8.360 nan 0.000 0.423 466 I N 2.897 122.960 120.570 -0.844 0.000 2.420 466 I HA 0.594 4.773 4.170 0.016 0.000 0.282 466 I C -0.980 174.787 176.117 -0.583 0.000 1.019 466 I CA -0.634 60.315 61.300 -0.585 0.000 1.130 466 I CB 0.667 38.508 38.000 -0.264 0.000 1.262 466 I HN 0.546 nan 8.210 nan 0.000 0.454 467 F N 3.121 123.000 119.950 -0.118 0.000 2.461 467 F HA 0.341 4.871 4.527 0.005 0.000 0.332 467 F C 1.569 177.349 175.800 -0.032 0.000 1.073 467 F CA -0.593 57.378 58.000 -0.048 0.000 1.017 467 F CB 0.480 39.475 39.000 -0.009 0.000 1.301 467 F HN 0.330 nan 8.300 nan 0.000 0.492 468 D N -0.099 120.447 120.400 0.243 0.000 2.144 468 D HA -0.150 4.499 4.640 0.016 0.000 0.199 468 D C -0.270 176.158 176.300 0.214 0.000 0.984 468 D CA 1.640 55.736 54.000 0.160 0.000 0.834 468 D CB -0.031 40.855 40.800 0.144 0.000 0.955 468 D HN 0.172 nan 8.370 nan 0.000 0.465 469 F N 1.135 121.141 119.950 0.093 0.000 2.477 469 F HA 0.352 4.888 4.527 0.015 0.000 0.335 469 F C -0.798 175.077 175.800 0.126 0.000 1.130 469 F CA -0.986 57.054 58.000 0.067 0.000 0.948 469 F CB 0.898 39.925 39.000 0.045 0.000 1.154 469 F HN -0.324 nan 8.300 nan 0.000 0.439 470 N N 4.424 122.840 118.700 -0.472 0.000 2.342 470 N HA 0.399 5.149 4.740 0.016 0.000 0.293 470 N C -1.001 174.360 175.510 -0.249 0.000 1.026 470 N CA -0.294 52.627 53.050 -0.215 0.000 0.857 470 N CB 2.192 40.559 38.487 -0.200 0.000 1.256 470 N HN 0.624 nan 8.380 nan 0.000 0.484 471 S N 0.735 116.488 115.700 0.089 0.000 3.081 471 S HA 0.363 4.843 4.470 0.016 0.000 0.316 471 S C 0.707 175.562 174.600 0.426 0.000 1.089 471 S CA -0.469 57.961 58.200 0.382 0.000 0.897 471 S CB 0.150 63.538 63.200 0.313 0.000 1.358 471 S HN 0.356 nan 8.310 nan 0.000 0.678 472 F N 2.335 122.217 119.950 -0.113 0.000 2.065 472 F HA -0.058 4.484 4.527 0.025 0.000 0.298 472 F C 2.042 177.618 175.800 -0.372 0.000 1.112 472 F CA 2.817 60.293 58.000 -0.874 0.000 1.212 472 F CB -0.898 37.426 39.000 -1.127 0.000 0.975 472 F HN 0.677 nan 8.300 nan 0.000 0.476 473 E N 0.036 120.107 120.200 -0.214 0.000 2.097 473 E HA -0.274 4.086 4.350 0.016 0.000 0.196 473 E C 2.069 178.568 176.600 -0.169 0.000 1.000 473 E CA 1.847 58.106 56.400 -0.234 0.000 0.804 473 E CB -0.450 29.221 29.700 -0.048 0.000 0.740 473 E HN 0.458 nan 8.360 nan 0.000 0.454 474 Q N -0.107 119.688 119.800 -0.008 0.000 2.119 474 Q HA -0.014 4.335 4.340 0.016 0.000 0.201 474 Q C 2.052 178.085 176.000 0.055 0.000 0.972 474 Q CA 0.648 56.503 55.803 0.088 0.000 0.847 474 Q CB -0.233 28.656 28.738 0.252 0.000 0.903 474 Q HN 0.246 nan 8.270 nan 0.000 0.433 475 L N -0.285 120.911 121.223 -0.046 0.000 2.083 475 L HA -0.210 4.139 4.340 0.016 0.000 0.209 475 L C 1.648 178.462 176.870 -0.094 0.000 1.083 475 L CA 1.589 56.333 54.840 -0.159 0.000 0.752 475 L CB -0.568 41.292 42.059 -0.331 0.000 0.899 475 L HN 0.374 nan 8.230 nan 0.000 0.433 476 C N -0.027 119.092 119.300 -0.303 0.000 2.453 476 C HA -0.140 4.329 4.460 0.016 0.000 0.277 476 C C 2.776 177.721 174.990 -0.074 0.000 1.262 476 C CA 0.078 58.959 59.018 -0.229 0.000 1.718 476 C CB -0.645 26.739 27.740 -0.594 0.000 2.031 476 C HN 0.479 nan 8.230 nan 0.000 0.480 477 I N 1.995 122.496 120.570 -0.115 0.000 2.142 477 I HA -0.158 4.021 4.170 0.016 0.000 0.240 477 I C 2.142 178.255 176.117 -0.007 0.000 1.078 477 I CA 1.727 62.991 61.300 -0.061 0.000 1.343 477 I CB -1.595 36.375 38.000 -0.051 0.000 1.046 477 I HN 0.411 nan 8.210 nan 0.000 0.405 478 N N 0.582 119.273 118.700 -0.014 0.000 2.120 478 N HA -0.248 4.502 4.740 0.016 0.000 0.188 478 N C 1.925 177.528 175.510 0.155 0.000 1.024 478 N CA 1.257 54.316 53.050 0.016 0.000 0.852 478 N CB -0.791 37.558 38.487 -0.230 0.000 1.003 478 N HN 0.428 nan 8.380 nan 0.000 0.424 479 Y N 2.209 122.563 120.300 0.090 0.000 2.165 479 Y HA -0.168 4.396 4.550 0.024 0.000 0.286 479 Y C 2.135 178.113 175.900 0.130 0.000 1.155 479 Y CA 1.558 59.752 58.100 0.156 0.000 1.164 479 Y CB -0.866 37.683 38.460 0.148 0.000 0.978 479 Y HN -0.023 nan 8.280 nan 0.000 0.513 480 T N 1.087 115.518 114.554 -0.206 0.000 2.746 480 T HA -0.187 4.172 4.350 0.016 0.000 0.267 480 T C 1.734 176.334 174.700 -0.168 0.000 1.039 480 T CA 1.563 63.491 62.100 -0.286 0.000 1.142 480 T CB -0.306 68.503 68.868 -0.097 0.000 0.866 480 T HN 0.456 nan 8.240 nan 0.000 0.444 481 N N 0.632 119.311 118.700 -0.035 0.000 2.244 481 N HA -0.071 4.679 4.740 0.016 0.000 0.183 481 N C 1.979 177.512 175.510 0.037 0.000 1.016 481 N CA 0.880 53.944 53.050 0.024 0.000 0.866 481 N CB -0.119 38.436 38.487 0.113 0.000 0.980 481 N HN 0.446 nan 8.380 nan 0.000 0.430 482 E N 0.956 121.206 120.200 0.084 0.000 2.077 482 E HA -0.041 4.318 4.350 0.016 0.000 0.193 482 E C 1.931 178.571 176.600 0.066 0.000 0.989 482 E CA 0.921 57.395 56.400 0.122 0.000 0.800 482 E CB 0.208 30.077 29.700 0.282 0.000 0.746 482 E HN 0.133 nan 8.360 nan 0.000 0.452 483 R N -0.110 120.386 120.500 -0.005 0.000 2.092 483 R HA -0.054 4.295 4.340 0.016 0.000 0.231 483 R C 2.445 178.783 176.300 0.063 0.000 1.119 483 R CA 0.724 56.831 56.100 0.012 0.000 0.970 483 R CB -0.584 29.645 30.300 -0.118 0.000 0.864 483 R HN 0.307 nan 8.270 nan 0.000 0.440 484 L N 0.730 121.964 121.223 0.017 0.000 2.027 484 L HA -0.181 4.169 4.340 0.016 0.000 0.206 484 L C 2.761 179.754 176.870 0.205 0.000 1.074 484 L CA 1.226 56.124 54.840 0.096 0.000 0.745 484 L CB -0.482 41.597 42.059 0.032 0.000 0.898 484 L HN 0.133 nan 8.230 nan 0.000 0.433 485 Q N -0.062 119.784 119.800 0.077 0.000 2.112 485 Q HA -0.320 4.030 4.340 0.016 0.000 0.206 485 Q C 2.110 178.165 176.000 0.090 0.000 0.987 485 Q CA 1.966 57.770 55.803 0.003 0.000 0.858 485 Q CB -0.265 28.301 28.738 -0.286 0.000 0.905 485 Q HN 0.547 nan 8.270 nan 0.000 0.420 486 Q N -0.754 119.108 119.800 0.105 0.000 2.135 486 Q HA -0.185 4.164 4.340 0.016 0.000 0.204 486 Q C 1.959 178.167 176.000 0.347 0.000 0.981 486 Q CA 1.401 57.323 55.803 0.198 0.000 0.856 486 Q CB -0.227 28.641 28.738 0.217 0.000 0.902 486 Q HN 0.326 nan 8.270 nan 0.000 0.425 487 F N 0.423 120.504 119.950 0.218 0.000 2.075 487 F HA -0.217 4.315 4.527 0.008 0.000 0.297 487 F C 1.826 177.830 175.800 0.340 0.000 1.113 487 F CA 1.669 59.779 58.000 0.184 0.000 1.218 487 F CB -0.796 38.177 39.000 -0.044 0.000 0.984 487 F HN 0.218 nan 8.300 nan 0.000 0.472 488 F N 1.447 121.446 119.950 0.081 0.000 2.161 488 F HA -0.228 4.317 4.527 0.030 0.000 0.300 488 F C 2.209 177.977 175.800 -0.053 0.000 1.089 488 F CA 2.164 60.134 58.000 -0.049 0.000 1.282 488 F CB -0.743 38.238 39.000 -0.032 0.000 1.010 488 F HN 0.041 nan 8.300 nan 0.000 0.485 489 N N -0.845 117.868 118.700 0.021 0.000 2.270 489 N HA -0.228 4.521 4.740 0.016 0.000 0.181 489 N C 1.975 177.487 175.510 0.004 0.000 1.016 489 N CA 0.960 53.996 53.050 -0.023 0.000 0.870 489 N CB -0.561 37.994 38.487 0.114 0.000 0.979 489 N HN 0.506 nan 8.380 nan 0.000 0.431 490 H N 1.122 120.192 119.070 -0.000 0.000 2.321 490 H HA -0.096 4.468 4.556 0.014 0.000 0.300 490 H C 1.384 176.579 175.328 -0.222 0.000 1.087 490 H CA 1.440 57.490 56.048 0.004 0.000 1.319 490 H CB -0.097 29.731 29.762 0.109 0.000 1.379 490 H HN 0.332 nan 8.280 nan 0.000 0.501 491 H N -0.500 118.400 119.070 -0.283 0.000 2.524 491 H HA -0.052 4.515 4.556 0.017 0.000 0.282 491 H C 2.177 177.233 175.328 -0.454 0.000 1.016 491 H CA 0.816 56.630 56.048 -0.391 0.000 1.270 491 H CB 0.425 29.977 29.762 -0.351 0.000 1.394 491 H HN 0.368 nan 8.280 nan 0.000 0.568 492 M N -0.733 118.629 119.600 -0.397 0.000 2.288 492 M HA -0.086 4.403 4.480 0.016 0.000 0.266 492 M C 2.206 178.326 176.300 -0.300 0.000 1.072 492 M CA 0.688 55.782 55.300 -0.344 0.000 1.132 492 M CB -1.120 31.295 32.600 -0.310 0.000 1.386 492 M HN 0.176 nan 8.290 nan 0.000 0.432 493 F N 0.834 120.464 119.950 -0.534 0.000 2.234 493 F HA -0.169 4.366 4.527 0.013 0.000 0.299 493 F C 2.056 177.448 175.800 -0.680 0.000 1.087 493 F CA 0.872 58.391 58.000 -0.802 0.000 1.340 493 F CB 0.125 38.611 39.000 -0.856 0.000 1.031 493 F HN -0.031 nan 8.300 nan 0.000 0.500 494 I N 0.311 120.477 120.570 -0.673 0.000 2.394 494 I HA -0.298 3.881 4.170 0.016 0.000 0.251 494 I C 2.025 177.823 176.117 -0.532 0.000 1.136 494 I CA 0.929 61.837 61.300 -0.654 0.000 1.425 494 I CB -0.295 37.406 38.000 -0.499 0.000 1.079 494 I HN 0.198 nan 8.210 nan 0.000 0.425 495 L N 0.045 121.004 121.223 -0.440 0.000 2.291 495 L HA -0.150 4.199 4.340 0.016 0.000 0.214 495 L C 2.432 179.049 176.870 -0.420 0.000 1.120 495 L CA 0.765 55.397 54.840 -0.347 0.000 0.799 495 L CB -0.450 41.455 42.059 -0.256 0.000 0.925 495 L HN 0.214 nan 8.230 nan 0.000 0.446 496 E N 0.780 120.623 120.200 -0.595 0.000 2.028 496 E HA -0.202 4.157 4.350 0.016 0.000 0.190 496 E C 2.164 178.028 176.600 -1.227 0.000 0.984 496 E CA 1.357 57.270 56.400 -0.812 0.000 0.800 496 E CB -0.032 29.101 29.700 -0.945 0.000 0.758 496 E HN 0.363 nan 8.360 nan 0.000 0.448 497 Q N -0.261 118.852 119.800 -1.144 0.000 2.291 497 Q HA -0.115 4.234 4.340 0.016 0.000 0.206 497 Q C 1.498 177.173 176.000 -0.542 0.000 0.976 497 Q CA 1.019 56.253 55.803 -0.949 0.000 0.875 497 Q CB 0.110 28.345 28.738 -0.838 0.000 0.927 497 Q HN 0.197 nan 8.270 nan 0.000 0.450 498 E N 0.173 120.100 120.200 -0.455 0.000 2.400 498 E HA -0.097 4.262 4.350 0.016 0.000 0.195 498 E C 1.384 177.877 176.600 -0.179 0.000 1.012 498 E CA 0.455 56.699 56.400 -0.261 0.000 0.875 498 E CB 0.400 29.965 29.700 -0.224 0.000 0.859 498 E HN 0.333 nan 8.360 nan 0.000 0.498 499 E N -0.322 119.747 120.200 -0.217 0.000 2.158 499 E HA -0.127 4.233 4.350 0.016 0.000 0.191 499 E C 1.362 178.009 176.600 0.080 0.000 0.982 499 E CA 0.684 57.060 56.400 -0.041 0.000 0.823 499 E CB -0.063 29.645 29.700 0.013 0.000 0.766 499 E HN 0.082 nan 8.360 nan 0.000 0.468 500 Y N 1.172 121.390 120.300 -0.137 0.000 2.049 500 Y HA -0.172 4.388 4.550 0.017 0.000 0.277 500 Y C 2.110 177.904 175.900 -0.177 0.000 1.143 500 Y CA 1.454 59.416 58.100 -0.230 0.000 1.115 500 Y CB -1.043 37.299 38.460 -0.197 0.000 0.975 500 Y HN -0.002 nan 8.280 nan 0.000 0.487 501 K N 0.413 120.835 120.400 0.037 0.000 2.113 501 K HA -0.188 4.141 4.320 0.016 0.000 0.208 501 K C 1.990 178.578 176.600 -0.020 0.000 1.047 501 K CA 1.470 57.744 56.287 -0.021 0.000 0.928 501 K CB -0.377 32.095 32.500 -0.047 0.000 0.716 501 K HN 0.201 nan 8.250 nan 0.000 0.446 502 K N 0.488 120.885 120.400 -0.006 0.000 2.362 502 K HA -0.082 4.248 4.320 0.016 0.000 0.200 502 K C 0.759 177.377 176.600 0.030 0.000 1.046 502 K CA 0.965 57.256 56.287 0.007 0.000 0.952 502 K CB 0.306 32.813 32.500 0.011 0.000 0.753 502 K HN 0.039 nan 8.250 nan 0.000 0.466 503 E N -0.877 119.344 120.200 0.035 0.000 2.498 503 E HA 0.080 4.439 4.350 0.016 0.000 0.203 503 E C 0.422 177.013 176.600 -0.016 0.000 1.013 503 E CA 0.467 56.896 56.400 0.049 0.000 0.927 503 E CB 1.142 30.912 29.700 0.117 0.000 1.012 503 E HN 0.418 nan 8.360 nan 0.000 0.482 504 G N 2.699 111.474 108.800 -0.042 0.000 2.246 504 G HA2 -0.278 3.691 3.960 0.016 0.000 0.273 504 G HA3 -0.278 3.691 3.960 0.016 0.000 0.273 504 G C 0.396 175.215 174.900 -0.136 0.000 1.055 504 G CA 0.973 46.030 45.100 -0.072 0.000 0.851 504 G HN 0.410 nan 8.290 nan 0.000 0.500 505 I N -3.534 116.916 120.570 -0.201 0.000 3.264 505 I HA 0.986 5.165 4.170 0.016 0.000 0.309 505 I C -0.065 175.857 176.117 -0.324 0.000 1.099 505 I CA -1.344 59.753 61.300 -0.339 0.000 0.989 505 I CB 2.462 40.131 38.000 -0.550 0.000 1.250 505 I HN 0.869 nan 8.210 nan 0.000 0.478 506 A N 1.545 124.088 122.820 -0.462 0.000 2.456 506 A HA 0.526 4.855 4.320 0.016 0.000 0.288 506 A C -2.183 175.129 177.584 -0.452 0.000 1.042 506 A CA -0.271 51.576 52.037 -0.317 0.000 0.738 506 A CB 0.546 19.433 19.000 -0.188 0.000 1.266 506 A HN 0.769 nan 8.150 nan 0.000 0.407 507 W N 2.503 123.666 121.300 -0.228 0.000 2.175 507 W HA 0.506 5.177 4.660 0.017 0.000 0.350 507 W C 1.313 177.832 176.519 -0.000 0.000 0.877 507 W CA 0.567 57.821 57.345 -0.152 0.000 1.544 507 W CB 0.804 30.160 29.460 -0.173 0.000 1.585 507 W HN 1.074 nan 8.180 nan 0.000 0.347 508 E N 1.764 122.025 120.200 0.101 0.000 2.068 508 E HA -0.188 4.171 4.350 0.016 0.000 0.207 508 E C 0.749 177.451 176.600 0.170 0.000 1.032 508 E CA 2.182 58.642 56.400 0.101 0.000 0.839 508 E CB -0.720 28.994 29.700 0.024 0.000 0.758 508 E HN 0.284 nan 8.360 nan 0.000 0.457 509 F N -0.112 119.955 119.950 0.195 0.000 2.493 509 F HA 0.667 5.204 4.527 0.016 0.000 0.329 509 F C 0.040 175.978 175.800 0.229 0.000 1.126 509 F CA -1.172 56.939 58.000 0.185 0.000 0.937 509 F CB 0.971 40.047 39.000 0.126 0.000 1.146 509 F HN 0.347 nan 8.300 nan 0.000 0.442 510 I N 0.454 121.145 120.570 0.201 0.000 3.617 510 I HA 0.946 5.125 4.170 0.016 0.000 0.283 510 I C -0.067 176.107 176.117 0.095 0.000 1.160 510 I CA -1.632 59.770 61.300 0.170 0.000 1.084 510 I CB 1.709 39.834 38.000 0.210 0.000 1.365 510 I HN 0.821 nan 8.210 nan 0.000 0.494 511 D N -0.178 120.275 120.400 0.087 0.000 2.362 511 D HA 0.457 5.106 4.640 0.016 0.000 0.228 511 D C -0.819 175.497 176.300 0.026 0.000 1.326 511 D CA -0.122 53.868 54.000 -0.017 0.000 0.927 511 D CB -0.308 40.492 40.800 -0.001 0.000 1.501 511 D HN 0.748 nan 8.370 nan 0.000 0.519 512 F N -0.765 119.145 119.950 -0.066 0.000 2.699 512 F HA 0.528 5.063 4.527 0.014 0.000 0.295 512 F C 1.446 177.220 175.800 -0.043 0.000 1.052 512 F CA 0.565 58.530 58.000 -0.059 0.000 1.239 512 F CB 0.922 39.914 39.000 -0.014 0.000 1.018 512 F HN 0.513 nan 8.300 nan 0.000 0.627 513 G N 1.115 109.577 108.800 -0.563 0.000 4.912 513 G HA2 0.369 4.339 3.960 0.016 0.000 0.307 513 G HA3 0.369 4.339 3.960 0.016 0.000 0.307 513 G C 0.366 175.179 174.900 -0.146 0.000 1.381 513 G CA -0.215 44.764 45.100 -0.200 0.000 1.057 513 G HN 0.230 nan 8.290 nan 0.000 0.593 514 M N -0.437 119.099 119.600 -0.107 0.000 2.357 514 M HA 0.103 4.593 4.480 0.016 0.000 0.266 514 M C 1.686 177.990 176.300 0.006 0.000 1.095 514 M CA 0.940 56.205 55.300 -0.058 0.000 1.156 514 M CB 0.190 32.754 32.600 -0.060 0.000 1.365 514 M HN 0.083 nan 8.290 nan 0.000 0.447 515 D N 0.754 121.173 120.400 0.032 0.000 2.144 515 D HA -0.133 4.516 4.640 0.016 0.000 0.200 515 D C 1.762 178.133 176.300 0.119 0.000 0.978 515 D CA 0.911 54.951 54.000 0.066 0.000 0.833 515 D CB -0.200 40.635 40.800 0.059 0.000 0.961 515 D HN 0.103 nan 8.370 nan 0.000 0.470 516 L N 0.647 121.966 121.223 0.161 0.000 2.017 516 L HA -0.118 4.231 4.340 0.016 0.000 0.208 516 L C 1.922 178.883 176.870 0.151 0.000 1.073 516 L CA 1.801 56.765 54.840 0.207 0.000 0.745 516 L CB -0.802 41.379 42.059 0.203 0.000 0.894 516 L HN -0.064 nan 8.230 nan 0.000 0.432 517 Q N -0.835 119.026 119.800 0.103 0.000 2.167 517 Q HA -0.225 4.124 4.340 0.016 0.000 0.202 517 Q C 2.277 178.328 176.000 0.085 0.000 0.970 517 Q CA 1.954 57.809 55.803 0.087 0.000 0.855 517 Q CB -0.248 28.516 28.738 0.043 0.000 0.911 517 Q HN 0.607 nan 8.270 nan 0.000 0.438 518 M N -0.752 118.890 119.600 0.071 0.000 2.117 518 M HA -0.190 4.299 4.480 0.016 0.000 0.262 518 M C 2.477 178.821 176.300 0.072 0.000 1.065 518 M CA 1.644 56.978 55.300 0.057 0.000 1.114 518 M CB -0.268 32.357 32.600 0.041 0.000 1.361 518 M HN 0.385 nan 8.290 nan 0.000 0.408 519 C N 0.444 119.809 119.300 0.109 0.000 2.440 519 C HA -0.081 4.388 4.460 0.016 0.000 0.278 519 C C 2.428 177.519 174.990 0.168 0.000 1.295 519 C CA 0.605 59.703 59.018 0.133 0.000 1.738 519 C CB -1.085 26.764 27.740 0.181 0.000 1.987 519 C HN 0.647 nan 8.230 nan 0.000 0.492 520 I N 1.235 121.921 120.570 0.193 0.000 2.226 520 I HA -0.138 4.042 4.170 0.016 0.000 0.245 520 I C 2.210 178.419 176.117 0.153 0.000 1.100 520 I CA 1.873 63.316 61.300 0.238 0.000 1.374 520 I CB -0.506 37.636 38.000 0.236 0.000 1.057 520 I HN 0.354 nan 8.210 nan 0.000 0.413 521 D N 0.620 121.081 120.400 0.101 0.000 2.144 521 D HA -0.141 4.508 4.640 0.016 0.000 0.200 521 D C 2.218 178.529 176.300 0.020 0.000 0.978 521 D CA 0.921 54.957 54.000 0.060 0.000 0.833 521 D CB -0.231 40.598 40.800 0.048 0.000 0.961 521 D HN 0.269 nan 8.370 nan 0.000 0.470 522 L N 0.579 121.800 121.223 -0.003 0.000 2.187 522 L HA -0.155 4.195 4.340 0.016 0.000 0.213 522 L C 1.799 178.605 176.870 -0.107 0.000 1.100 522 L CA 0.903 55.680 54.840 -0.106 0.000 0.765 522 L CB 0.050 42.053 42.059 -0.093 0.000 0.904 522 L HN 0.001 nan 8.230 nan 0.000 0.437 523 I N -0.195 120.357 120.570 -0.030 0.000 2.556 523 I HA -0.150 4.029 4.170 0.016 0.000 0.251 523 I C 2.306 178.334 176.117 -0.149 0.000 1.105 523 I CA 1.183 62.435 61.300 -0.080 0.000 1.436 523 I CB -0.841 37.082 38.000 -0.129 0.000 1.139 523 I HN 0.384 nan 8.210 nan 0.000 0.438 524 E N 0.363 120.490 120.200 -0.121 0.000 2.460 524 E HA 0.055 4.414 4.350 0.016 0.000 0.200 524 E C 0.658 177.266 176.600 0.013 0.000 1.011 524 E CA -0.227 56.126 56.400 -0.078 0.000 0.912 524 E CB 0.239 29.935 29.700 -0.007 0.000 0.953 524 E HN 0.103 nan 8.360 nan 0.000 0.494 525 K N 1.696 122.113 120.400 0.028 0.000 2.234 525 K HA 0.067 4.397 4.320 0.016 0.000 0.251 525 K C -1.773 174.857 176.600 0.049 0.000 1.011 525 K CA -1.724 54.588 56.287 0.043 0.000 0.889 525 K CB -0.067 32.459 32.500 0.043 0.000 1.011 525 K HN -0.094 nan 8.250 nan 0.000 0.505 526 P HA -0.053 nan 4.420 nan 0.000 0.242 526 P C 0.513 177.846 177.300 0.055 0.000 1.198 526 P CA 1.071 64.201 63.100 0.050 0.000 0.756 526 P CB -0.080 31.645 31.700 0.041 0.000 0.911 527 M N -5.489 114.152 119.600 0.069 0.000 2.449 527 M HA 0.422 4.912 4.480 0.016 0.000 0.410 527 M C 0.586 176.985 176.300 0.165 0.000 1.079 527 M CA -0.328 55.015 55.300 0.072 0.000 0.922 527 M CB 0.423 33.043 32.600 0.033 0.000 1.676 527 M HN -0.297 nan 8.290 nan 0.000 0.572 528 G N 1.073 109.952 108.800 0.132 0.000 2.683 528 G HA2 0.353 4.322 3.960 0.016 0.000 0.260 528 G HA3 0.353 4.322 3.960 0.016 0.000 0.260 528 G C 0.647 175.636 174.900 0.149 0.000 1.238 528 G CA -0.569 44.591 45.100 0.100 0.000 0.934 528 G HN 0.372 nan 8.290 nan 0.000 0.534 529 I N -0.439 120.174 120.570 0.072 0.000 2.286 529 I HA -0.145 4.034 4.170 0.016 0.000 0.248 529 I C 2.562 178.853 176.117 0.290 0.000 1.115 529 I CA 0.880 62.290 61.300 0.184 0.000 1.392 529 I CB -0.152 37.962 38.000 0.191 0.000 1.065 529 I HN 0.328 nan 8.210 nan 0.000 0.418 530 L N 0.099 121.429 121.223 0.179 0.000 2.109 530 L HA -0.137 4.212 4.340 0.016 0.000 0.207 530 L C 2.782 179.751 176.870 0.166 0.000 1.086 530 L CA 1.415 56.363 54.840 0.181 0.000 0.760 530 L CB -0.551 41.550 42.059 0.070 0.000 0.910 530 L HN 0.327 nan 8.230 nan 0.000 0.437 531 S N -0.108 115.673 115.700 0.135 0.000 2.383 531 S HA -0.109 4.370 4.470 0.016 0.000 0.227 531 S C 1.924 176.617 174.600 0.154 0.000 1.026 531 S CA 0.709 58.981 58.200 0.120 0.000 0.981 531 S CB -0.563 62.694 63.200 0.094 0.000 0.818 531 S HN 0.318 nan 8.310 nan 0.000 0.472 532 I N 0.790 121.484 120.570 0.206 0.000 2.286 532 I HA -0.111 4.069 4.170 0.016 0.000 0.248 532 I C 2.416 178.729 176.117 0.326 0.000 1.115 532 I CA 0.902 62.352 61.300 0.251 0.000 1.392 532 I CB -0.245 37.909 38.000 0.258 0.000 1.065 532 I HN 0.290 nan 8.210 nan 0.000 0.418 533 L N 0.715 122.137 121.223 0.331 0.000 2.072 533 L HA -0.149 4.201 4.340 0.016 0.000 0.205 533 L C 2.250 179.132 176.870 0.020 0.000 1.079 533 L CA 1.830 56.725 54.840 0.092 0.000 0.752 533 L CB -0.488 41.597 42.059 0.044 0.000 0.906 533 L HN 0.129 nan 8.230 nan 0.000 0.436 534 E N -0.478 119.763 120.200 0.068 0.000 2.153 534 E HA -0.210 4.149 4.350 0.016 0.000 0.194 534 E C 2.121 178.740 176.600 0.032 0.000 0.988 534 E CA 1.252 57.674 56.400 0.035 0.000 0.811 534 E CB -0.064 29.667 29.700 0.053 0.000 0.746 534 E HN 0.744 nan 8.360 nan 0.000 0.466 535 E N 1.090 121.346 120.200 0.093 0.000 2.072 535 E HA -0.190 4.170 4.350 0.016 0.000 0.190 535 E C 1.759 178.496 176.600 0.229 0.000 0.982 535 E CA 1.342 57.820 56.400 0.130 0.000 0.803 535 E CB -0.490 29.335 29.700 0.209 0.000 0.755 535 E HN 0.165 nan 8.360 nan 0.000 0.453 536 E N -0.514 119.843 120.200 0.261 0.000 2.150 536 E HA -0.064 4.296 4.350 0.016 0.000 0.193 536 E C 1.807 178.526 176.600 0.198 0.000 0.985 536 E CA 1.072 57.672 56.400 0.333 0.000 0.814 536 E CB -0.680 29.157 29.700 0.228 0.000 0.752 536 E HN 0.574 nan 8.360 nan 0.000 0.466 537 C N 0.169 119.489 119.300 0.034 0.000 2.449 537 C HA 0.071 4.540 4.460 0.016 0.000 0.283 537 C C 1.581 176.535 174.990 -0.059 0.000 1.453 537 C CA 0.406 59.405 59.018 -0.031 0.000 1.779 537 C CB -0.861 26.832 27.740 -0.079 0.000 1.779 537 C HN 0.451 nan 8.230 nan 0.000 0.546 538 M N -0.798 118.706 119.600 -0.159 0.000 2.738 538 M HA 0.272 4.762 4.480 0.016 0.000 0.295 538 M C -1.020 174.961 176.300 -0.533 0.000 1.266 538 M CA 0.411 55.515 55.300 -0.327 0.000 0.985 538 M CB 0.025 32.378 32.600 -0.412 0.000 1.365 538 M HN 0.123 nan 8.290 nan 0.000 0.492 539 F N -0.488 119.465 119.950 0.005 0.000 2.659 539 F HA 0.378 4.915 4.527 0.015 0.000 0.342 539 F C -1.883 173.921 175.800 0.007 0.000 1.168 539 F CA -2.102 55.904 58.000 0.009 0.000 1.003 539 F CB 0.986 39.995 39.000 0.014 0.000 1.267 539 F HN -0.078 nan 8.300 nan 0.000 0.463 540 P HA -0.180 nan 4.420 nan 0.000 0.218 540 P C 1.556 178.909 177.300 0.090 0.000 1.146 540 P CA 1.740 64.897 63.100 0.095 0.000 0.813 540 P CB 0.291 32.033 31.700 0.070 0.000 0.778 541 K N -0.812 119.652 120.400 0.107 0.000 2.314 541 K HA 0.427 4.757 4.320 0.016 0.000 0.198 541 K C 1.245 177.879 176.600 0.056 0.000 1.045 541 K CA 0.794 57.120 56.287 0.064 0.000 0.988 541 K CB -0.953 31.572 32.500 0.043 0.000 0.783 541 K HN 0.305 nan 8.250 nan 0.000 0.484 542 A N 2.248 125.120 122.820 0.086 0.000 2.448 542 A HA 0.447 4.776 4.320 0.016 0.000 0.239 542 A C 0.226 177.851 177.584 0.069 0.000 1.080 542 A CA 0.456 52.539 52.037 0.076 0.000 0.779 542 A CB 0.084 19.158 19.000 0.124 0.000 1.026 542 A HN 0.726 nan 8.150 nan 0.000 0.499 543 D N -0.938 119.505 120.400 0.071 0.000 2.812 543 D HA 0.139 4.788 4.640 0.016 0.000 0.318 543 D C -0.381 175.985 176.300 0.110 0.000 1.234 543 D CA -0.325 53.718 54.000 0.072 0.000 0.989 543 D CB -0.228 40.601 40.800 0.048 0.000 1.442 543 D HN 0.275 nan 8.370 nan 0.000 0.537 544 D N 0.366 120.830 120.400 0.108 0.000 2.137 544 D HA -0.214 4.436 4.640 0.016 0.000 0.189 544 D C 1.690 178.054 176.300 0.107 0.000 0.998 544 D CA 1.868 55.958 54.000 0.149 0.000 0.839 544 D CB -0.188 40.679 40.800 0.111 0.000 0.962 544 D HN 0.520 nan 8.370 nan 0.000 0.446 545 K N 0.570 120.978 120.400 0.014 0.000 2.063 545 K HA -0.164 4.165 4.320 0.016 0.000 0.208 545 K C 2.189 178.765 176.600 -0.040 0.000 1.048 545 K CA 1.523 57.773 56.287 -0.061 0.000 0.928 545 K CB -0.184 32.273 32.500 -0.072 0.000 0.713 545 K HN -0.022 nan 8.250 nan 0.000 0.442 546 S N -0.144 115.568 115.700 0.020 0.000 2.383 546 S HA -0.189 4.290 4.470 0.016 0.000 0.229 546 S C 1.702 176.354 174.600 0.086 0.000 1.030 546 S CA 1.310 59.528 58.200 0.030 0.000 1.002 546 S CB -0.462 62.765 63.200 0.046 0.000 0.829 546 S HN 0.503 nan 8.310 nan 0.000 0.467 547 F N 1.911 121.849 119.950 -0.020 0.000 2.234 547 F HA 0.175 4.710 4.527 0.014 0.000 0.296 547 F C 2.387 178.178 175.800 -0.016 0.000 1.089 547 F CA 1.617 59.622 58.000 0.010 0.000 1.343 547 F CB -0.846 38.186 39.000 0.052 0.000 1.040 547 F HN 0.277 nan 8.300 nan 0.000 0.498 548 Q N -0.009 119.657 119.800 -0.222 0.000 2.170 548 Q HA -0.186 4.163 4.340 0.016 0.000 0.203 548 Q C 1.393 177.167 176.000 -0.376 0.000 0.976 548 Q CA 1.784 57.347 55.803 -0.400 0.000 0.858 548 Q CB -0.109 28.389 28.738 -0.401 0.000 0.907 548 Q HN 0.389 nan 8.270 nan 0.000 0.433 549 D N -0.118 120.137 120.400 -0.241 0.000 2.162 549 D HA -0.098 4.552 4.640 0.016 0.000 0.203 549 D C 1.676 177.915 176.300 -0.101 0.000 0.967 549 D CA 0.717 54.617 54.000 -0.166 0.000 0.840 549 D CB 0.091 40.818 40.800 -0.122 0.000 0.972 549 D HN 0.069 nan 8.370 nan 0.000 0.482 550 K N 0.628 120.965 120.400 -0.104 0.000 2.062 550 K HA 0.042 4.371 4.320 0.016 0.000 0.205 550 K C 2.351 178.851 176.600 -0.165 0.000 1.051 550 K CA 0.153 56.383 56.287 -0.096 0.000 0.941 550 K CB -0.470 32.019 32.500 -0.018 0.000 0.719 550 K HN 0.218 nan 8.250 nan 0.000 0.440 551 L N -0.172 120.918 121.223 -0.222 0.000 2.042 551 L HA -0.232 4.118 4.340 0.016 0.000 0.210 551 L C 2.448 179.190 176.870 -0.212 0.000 1.076 551 L CA 1.410 56.091 54.840 -0.264 0.000 0.749 551 L CB -0.478 41.363 42.059 -0.363 0.000 0.893 551 L HN 0.111 nan 8.230 nan 0.000 0.432 552 Y N 0.362 120.505 120.300 -0.262 0.000 2.163 552 Y HA -0.266 4.293 4.550 0.015 0.000 0.288 552 Y C 2.787 178.564 175.900 -0.206 0.000 1.136 552 Y CA 1.220 59.224 58.100 -0.159 0.000 1.147 552 Y CB -0.657 37.762 38.460 -0.069 0.000 0.987 552 Y HN 0.216 nan 8.280 nan 0.000 0.509 553 Q N -0.484 119.293 119.800 -0.037 0.000 2.226 553 Q HA -0.182 4.168 4.340 0.016 0.000 0.204 553 Q C 1.731 177.597 176.000 -0.223 0.000 0.975 553 Q CA 1.242 56.982 55.803 -0.105 0.000 0.866 553 Q CB -0.139 28.545 28.738 -0.089 0.000 0.915 553 Q HN 0.464 nan 8.270 nan 0.000 0.440 554 N N -1.084 117.378 118.700 -0.396 0.000 2.405 554 N HA -0.021 4.728 4.740 0.016 0.000 0.175 554 N C 0.547 175.525 175.510 -0.886 0.000 1.051 554 N CA 0.871 53.524 53.050 -0.662 0.000 0.899 554 N CB 0.389 38.333 38.487 -0.904 0.000 1.000 554 N HN 0.431 nan 8.380 nan 0.000 0.451 555 H N -1.983 116.808 119.070 -0.465 0.000 3.734 555 H HA 0.223 4.790 4.556 0.017 0.000 0.253 555 H C -0.131 174.947 175.328 -0.416 0.000 1.072 555 H CA -0.487 55.200 56.048 -0.602 0.000 1.147 555 H CB 0.478 29.495 29.762 -1.241 0.000 1.495 555 H HN -0.036 nan 8.280 nan 0.000 0.588 556 M N 1.467 120.917 119.600 -0.250 0.000 2.246 556 M HA 0.253 4.742 4.480 0.016 0.000 0.350 556 M C 1.242 177.513 176.300 -0.049 0.000 1.406 556 M CA 0.691 55.948 55.300 -0.071 0.000 1.089 556 M CB -0.008 32.433 32.600 -0.265 0.000 1.782 556 M HN 0.531 nan 8.290 nan 0.000 0.457 557 G N 4.180 112.978 108.800 -0.004 0.000 2.189 557 G HA2 -0.314 3.656 3.960 0.016 0.000 0.267 557 G HA3 -0.314 3.656 3.960 0.016 0.000 0.267 557 G C 0.726 175.617 174.900 -0.015 0.000 0.975 557 G CA 0.808 45.902 45.100 -0.009 0.000 0.644 557 G HN 0.721 nan 8.290 nan 0.000 0.537 558 K N -0.578 119.810 120.400 -0.021 0.000 2.402 558 K HA 0.184 4.514 4.320 0.016 0.000 0.204 558 K C 0.207 176.805 176.600 -0.002 0.000 1.056 558 K CA -0.148 56.126 56.287 -0.023 0.000 1.069 558 K CB 0.578 33.046 32.500 -0.054 0.000 0.888 558 K HN 0.242 nan 8.250 nan 0.000 0.546 559 N N 0.792 119.498 118.700 0.011 0.000 2.452 559 N HA 0.064 4.814 4.740 0.016 0.000 0.277 559 N C -0.039 175.468 175.510 -0.004 0.000 1.078 559 N CA -0.274 52.783 53.050 0.012 0.000 0.947 559 N CB 1.500 39.998 38.487 0.019 0.000 1.655 559 N HN -0.002 nan 8.380 nan 0.000 0.490 560 R N 2.147 122.627 120.500 -0.033 0.000 2.276 560 R HA 0.121 4.470 4.340 0.016 0.000 0.203 560 R C 0.754 176.905 176.300 -0.249 0.000 1.017 560 R CA 0.678 56.727 56.100 -0.085 0.000 1.010 560 R CB -0.026 30.253 30.300 -0.035 0.000 0.900 560 R HN 0.362 nan 8.270 nan 0.000 0.469 561 M N 0.191 119.679 119.600 -0.185 0.000 2.388 561 M HA 0.130 4.619 4.480 0.016 0.000 0.265 561 M C 0.088 176.216 176.300 -0.286 0.000 1.088 561 M CA 0.259 55.393 55.300 -0.276 0.000 1.134 561 M CB -0.352 32.217 32.600 -0.052 0.000 1.384 561 M HN 0.042 nan 8.290 nan 0.000 0.447 562 F N 1.525 121.320 119.950 -0.257 0.000 2.371 562 F HA 0.326 4.862 4.527 0.015 0.000 0.363 562 F C 0.069 175.784 175.800 -0.141 0.000 1.122 562 F CA -0.039 57.876 58.000 -0.141 0.000 1.129 562 F CB 0.554 39.464 39.000 -0.149 0.000 1.173 562 F HN -0.163 nan 8.300 nan 0.000 0.489 563 T N 4.089 118.473 114.554 -0.282 0.000 2.926 563 T HA 0.666 5.026 4.350 0.016 0.000 0.289 563 T C -0.373 174.244 174.700 -0.138 0.000 1.054 563 T CA -0.787 61.234 62.100 -0.132 0.000 1.015 563 T CB 1.388 70.280 68.868 0.041 0.000 1.167 563 T HN 0.570 nan 8.240 nan 0.000 0.526 564 K N 2.360 122.732 120.400 -0.047 0.000 2.172 564 K HA 0.607 4.936 4.320 0.016 0.000 0.276 564 K C -2.632 173.976 176.600 0.012 0.000 1.013 564 K CA -2.208 54.072 56.287 -0.011 0.000 0.913 564 K CB -0.621 31.889 32.500 0.016 0.000 1.055 564 K HN 0.571 nan 8.250 nan 0.000 0.461 565 P HA 0.027 nan 4.420 nan 0.000 0.261 565 P C 0.370 177.676 177.300 0.011 0.000 1.183 565 P CA 0.360 63.461 63.100 0.002 0.000 0.761 565 P CB 0.762 32.468 31.700 0.010 0.000 0.785 566 G N 2.614 111.412 108.800 -0.003 0.000 2.783 566 G HA2 0.515 4.485 3.960 0.016 0.000 0.182 566 G HA3 0.515 4.485 3.960 0.016 0.000 0.182 566 G C -0.144 174.754 174.900 -0.003 0.000 1.516 566 G CA -0.236 44.864 45.100 -0.001 0.000 1.079 566 G HN 0.723 nan 8.290 nan 0.000 0.573 567 K N 1.250 121.644 120.400 -0.008 0.000 2.174 567 K HA 0.584 4.913 4.320 0.016 0.000 0.275 567 K C -1.899 174.692 176.600 -0.015 0.000 1.015 567 K CA -1.451 54.832 56.287 -0.007 0.000 0.933 567 K CB -0.175 32.320 32.500 -0.008 0.000 1.025 567 K HN 0.599 nan 8.250 nan 0.000 0.463 568 P HA 0.070 nan 4.420 nan 0.000 0.261 568 P C 0.527 177.814 177.300 -0.022 0.000 1.173 568 P CA 0.846 63.938 63.100 -0.014 0.000 0.760 568 P CB 0.522 32.220 31.700 -0.004 0.000 0.783 569 T N 0.330 114.866 114.554 -0.031 0.000 3.100 569 T HA 0.336 4.696 4.350 0.016 0.000 0.253 569 T C 1.012 175.692 174.700 -0.033 0.000 1.118 569 T CA 1.115 63.192 62.100 -0.038 0.000 1.058 569 T CB 0.017 68.854 68.868 -0.051 0.000 0.953 569 T HN 0.827 nan 8.240 nan 0.000 0.515 570 R N 1.214 121.701 120.500 -0.023 0.000 2.634 570 R HA 0.687 5.037 4.340 0.016 0.000 0.263 570 R C -3.457 172.841 176.300 -0.004 0.000 1.060 570 R CA -1.366 54.724 56.100 -0.016 0.000 0.898 570 R CB -0.388 29.902 30.300 -0.017 0.000 1.253 570 R HN 0.150 nan 8.270 nan 0.000 0.461 571 P HA 0.287 nan 4.420 nan 0.000 0.274 571 P C 0.473 177.780 177.300 0.013 0.000 1.246 571 P CA 1.186 64.289 63.100 0.004 0.000 0.795 571 P CB 0.828 32.528 31.700 0.000 0.000 1.006 572 N N -1.183 117.526 118.700 0.016 0.000 2.800 572 N HA -0.244 4.506 4.740 0.016 0.000 0.250 572 N C 0.395 175.929 175.510 0.041 0.000 1.078 572 N CA 1.436 54.500 53.050 0.023 0.000 0.804 572 N CB -2.505 35.995 38.487 0.022 0.000 1.135 572 N HN 0.802 nan 8.380 nan 0.000 0.565 573 Q N 0.377 120.200 119.800 0.038 0.000 2.307 573 Q HA 0.482 4.831 4.340 0.016 0.000 0.261 573 Q C 1.182 177.228 176.000 0.076 0.000 1.051 573 Q CA 0.182 56.016 55.803 0.053 0.000 0.911 573 Q CB 0.242 28.995 28.738 0.024 0.000 1.227 573 Q HN 0.837 nan 8.270 nan 0.000 0.418 574 G N 4.765 113.649 108.800 0.139 0.000 2.712 574 G HA2 0.150 4.119 3.960 0.016 0.000 0.258 574 G HA3 0.150 4.119 3.960 0.016 0.000 0.258 574 G C -2.158 172.852 174.900 0.184 0.000 1.241 574 G CA -0.840 44.377 45.100 0.194 0.000 0.923 574 G HN 0.643 nan 8.290 nan 0.000 0.548 575 P HA 0.446 nan 4.420 nan 0.000 0.272 575 P C -0.608 176.715 177.300 0.038 0.000 1.223 575 P CA 0.022 63.201 63.100 0.131 0.000 0.784 575 P CB 1.435 33.228 31.700 0.155 0.000 0.923 576 A N 1.294 124.088 122.820 -0.043 0.000 2.587 576 A HA 0.524 4.853 4.320 0.016 0.000 0.293 576 A C -0.224 177.337 177.584 -0.038 0.000 1.087 576 A CA -0.507 51.411 52.037 -0.199 0.000 0.692 576 A CB 0.757 19.656 19.000 -0.169 0.000 1.291 576 A HN 0.700 nan 8.150 nan 0.000 0.407 577 H N -0.447 118.621 119.070 -0.003 0.000 3.017 577 H HA 0.386 4.952 4.556 0.017 0.000 0.255 577 H C -0.495 175.007 175.328 0.290 0.000 0.990 577 H CA 0.665 56.807 56.048 0.156 0.000 1.205 577 H CB 0.845 30.719 29.762 0.187 0.000 1.460 577 H HN 0.676 nan 8.280 nan 0.000 0.478 578 F N -0.908 119.073 119.950 0.052 0.000 2.719 578 F HA 0.494 5.030 4.527 0.015 0.000 0.309 578 F C -1.887 173.801 175.800 -0.186 0.000 1.138 578 F CA -1.260 56.626 58.000 -0.191 0.000 0.943 578 F CB 1.625 40.306 39.000 -0.532 0.000 1.304 578 F HN -0.280 nan 8.300 nan 0.000 0.445 579 E N 1.779 121.875 120.200 -0.173 0.000 2.183 579 E HA 0.586 4.945 4.350 0.016 0.000 0.271 579 E C -1.907 174.719 176.600 0.044 0.000 0.919 579 E CA -1.172 55.151 56.400 -0.128 0.000 0.781 579 E CB 2.522 32.205 29.700 -0.029 0.000 1.140 579 E HN 0.630 nan 8.360 nan 0.000 0.402 580 L N 3.783 125.085 121.223 0.132 0.000 2.305 580 L HA 0.256 4.605 4.340 0.016 0.000 0.284 580 L C -1.016 175.911 176.870 0.094 0.000 1.013 580 L CA -0.676 54.260 54.840 0.161 0.000 0.819 580 L CB 0.781 43.030 42.059 0.317 0.000 1.227 580 L HN 0.511 nan 8.230 nan 0.000 0.417 581 H N 4.605 123.603 119.070 -0.120 0.000 3.109 581 H HA 0.307 4.872 4.556 0.015 0.000 0.266 581 H C -0.010 175.263 175.328 -0.092 0.000 1.334 581 H CA -0.158 55.843 56.048 -0.078 0.000 1.456 581 H CB -0.496 29.246 29.762 -0.032 0.000 1.587 581 H HN 0.414 nan 8.280 nan 0.000 0.500 582 H N 0.808 120.032 119.070 0.256 0.000 2.534 582 H HA -0.075 4.495 4.556 0.023 0.000 0.364 582 H C 0.897 176.263 175.328 0.062 0.000 1.328 582 H CA -0.225 55.961 56.048 0.229 0.000 1.415 582 H CB 0.897 30.889 29.762 0.385 0.000 1.573 582 H HN 0.537 nan 8.280 nan 0.000 0.601 583 Y N 1.131 121.454 120.300 0.038 0.000 2.165 583 Y HA -0.192 4.368 4.550 0.018 0.000 0.286 583 Y C 2.152 177.911 175.900 -0.235 0.000 1.155 583 Y CA 1.974 60.023 58.100 -0.086 0.000 1.164 583 Y CB -0.098 38.315 38.460 -0.079 0.000 0.978 583 Y HN 0.671 nan 8.280 nan 0.000 0.513 584 A N -0.489 122.088 122.820 -0.405 0.000 2.337 584 A HA 0.538 4.867 4.320 0.016 0.000 0.227 584 A C 0.731 178.092 177.584 -0.372 0.000 1.259 584 A CA 0.743 52.431 52.037 -0.583 0.000 0.870 584 A CB -0.955 17.388 19.000 -1.096 0.000 0.927 584 A HN 0.566 nan 8.150 nan 0.000 0.497 585 G N -0.491 108.207 108.800 -0.170 0.000 2.317 585 G HA2 0.057 4.026 3.960 0.016 0.000 0.445 585 G HA3 0.057 4.026 3.960 0.016 0.000 0.445 585 G C -1.408 173.554 174.900 0.104 0.000 1.486 585 G CA -1.102 43.992 45.100 -0.011 0.000 0.991 585 G HN 0.131 nan 8.290 nan 0.000 0.660 586 N N -0.388 118.298 118.700 -0.023 0.000 2.470 586 N HA 0.383 5.132 4.740 0.016 0.000 0.268 586 N C -0.215 175.293 175.510 -0.004 0.000 1.136 586 N CA 0.023 53.036 53.050 -0.063 0.000 0.961 586 N CB 1.909 40.259 38.487 -0.228 0.000 1.067 586 N HN 0.425 nan 8.380 nan 0.000 0.468 587 V N 5.096 125.012 119.914 0.004 0.000 2.378 587 V HA 0.306 4.436 4.120 0.016 0.000 0.288 587 V C -2.112 173.666 176.094 -0.526 0.000 1.016 587 V CA -1.652 60.496 62.300 -0.253 0.000 0.840 587 V CB 1.910 33.551 31.823 -0.302 0.000 0.994 587 V HN 0.520 nan 8.190 nan 0.000 0.431 588 P HA 0.309 nan 4.420 nan 0.000 0.281 588 P C -1.414 175.531 177.300 -0.591 0.000 1.286 588 P CA -0.176 62.663 63.100 -0.434 0.000 0.772 588 P CB 0.461 32.013 31.700 -0.246 0.000 0.862 589 Y N 0.573 120.531 120.300 -0.571 0.000 2.420 589 Y HA 0.417 4.973 4.550 0.011 0.000 0.334 589 Y C 1.209 176.727 175.900 -0.636 0.000 1.094 589 Y CA -0.435 57.311 58.100 -0.590 0.000 1.126 589 Y CB 1.842 39.871 38.460 -0.719 0.000 1.217 589 Y HN 0.256 nan 8.280 nan 0.000 0.462 590 S N 2.615 118.101 115.700 -0.357 0.000 2.475 590 S HA 0.519 4.999 4.470 0.016 0.000 0.298 590 S C -0.301 174.050 174.600 -0.415 0.000 1.119 590 S CA -0.753 57.106 58.200 -0.567 0.000 1.085 590 S CB 0.145 63.107 63.200 -0.398 0.000 1.028 590 S HN 0.551 nan 8.310 nan 0.000 0.489 591 I N 2.156 122.511 120.570 -0.358 0.000 3.731 591 I HA 0.395 4.575 4.170 0.016 0.000 0.341 591 I C 0.195 176.301 176.117 -0.019 0.000 1.532 591 I CA -0.322 60.606 61.300 -0.619 0.000 1.163 591 I CB 0.139 37.983 38.000 -0.261 0.000 1.339 591 I HN 0.319 nan 8.210 nan 0.000 0.449 592 T N 1.688 116.357 114.554 0.192 0.000 2.806 592 T HA 0.525 4.885 4.350 0.016 0.000 0.290 592 T C 1.283 176.198 174.700 0.358 0.000 0.966 592 T CA 0.465 62.743 62.100 0.297 0.000 1.060 592 T CB 1.178 70.229 68.868 0.305 0.000 0.927 592 T HN 0.761 nan 8.240 nan 0.000 0.485 593 G N 2.210 111.173 108.800 0.271 0.000 2.189 593 G HA2 -0.265 3.704 3.960 0.016 0.000 0.267 593 G HA3 -0.265 3.704 3.960 0.016 0.000 0.267 593 G C 0.966 176.017 174.900 0.251 0.000 0.975 593 G CA 0.281 45.519 45.100 0.229 0.000 0.644 593 G HN 0.760 nan 8.290 nan 0.000 0.537 594 W N 0.497 121.785 121.300 -0.020 0.000 2.350 594 W HA 0.135 4.807 4.660 0.019 0.000 0.289 594 W C 2.621 178.899 176.519 -0.402 0.000 1.215 594 W CA 1.536 58.747 57.345 -0.224 0.000 1.236 594 W CB -0.698 28.668 29.460 -0.157 0.000 1.130 594 W HN 0.384 nan 8.180 nan 0.000 0.541 595 L N -0.514 120.666 121.223 -0.073 0.000 2.027 595 L HA -0.178 4.172 4.340 0.016 0.000 0.206 595 L C 2.230 179.028 176.870 -0.120 0.000 1.074 595 L CA 1.470 56.219 54.840 -0.152 0.000 0.745 595 L CB -0.844 41.169 42.059 -0.076 0.000 0.898 595 L HN -0.022 nan 8.230 nan 0.000 0.433 596 E N 0.142 120.309 120.200 -0.055 0.000 2.150 596 E HA -0.200 4.159 4.350 0.016 0.000 0.193 596 E C 2.128 178.687 176.600 -0.069 0.000 0.985 596 E CA 0.878 57.257 56.400 -0.036 0.000 0.814 596 E CB 0.061 29.765 29.700 0.006 0.000 0.752 596 E HN 0.429 nan 8.360 nan 0.000 0.466 597 K N 0.710 121.032 120.400 -0.130 0.000 2.057 597 K HA -0.123 4.206 4.320 0.016 0.000 0.206 597 K C 2.017 178.478 176.600 -0.231 0.000 1.050 597 K CA 1.276 57.466 56.287 -0.162 0.000 0.935 597 K CB -0.088 32.278 32.500 -0.224 0.000 0.715 597 K HN -0.049 nan 8.250 nan 0.000 0.439 598 N N 0.927 119.351 118.700 -0.459 0.000 2.216 598 N HA -0.083 4.667 4.740 0.016 0.000 0.183 598 N C -0.164 175.280 175.510 -0.111 0.000 1.017 598 N CA 1.038 53.886 53.050 -0.337 0.000 0.861 598 N CB 0.271 38.466 38.487 -0.487 0.000 0.986 598 N HN -0.132 nan 8.380 nan 0.000 0.428 599 K N 0.378 120.715 120.400 -0.105 0.000 2.274 599 K HA 0.200 4.529 4.320 0.016 0.000 0.262 599 K C -1.628 174.962 176.600 -0.016 0.000 0.961 599 K CA -0.707 55.553 56.287 -0.045 0.000 0.833 599 K CB 1.315 33.785 32.500 -0.050 0.000 1.102 599 K HN -0.059 nan 8.250 nan 0.000 0.436 600 D N 4.701 125.108 120.400 0.012 0.000 2.412 600 D HA 0.027 4.676 4.640 0.016 0.000 0.257 600 D C -1.649 174.673 176.300 0.036 0.000 1.217 600 D CA -1.303 52.717 54.000 0.034 0.000 0.897 600 D CB 0.913 41.744 40.800 0.051 0.000 1.132 600 D HN 0.317 nan 8.370 nan 0.000 0.493 601 P HA 0.132 nan 4.420 nan 0.000 0.244 601 P C -0.532 176.798 177.300 0.050 0.000 1.632 601 P CA -0.363 62.758 63.100 0.036 0.000 0.944 601 P CB -0.567 31.149 31.700 0.028 0.000 1.569 602 I N -2.625 117.988 120.570 0.071 0.000 2.472 602 I HA 0.310 4.490 4.170 0.016 0.000 0.290 602 I C 0.318 176.473 176.117 0.063 0.000 1.016 602 I CA -1.327 60.023 61.300 0.084 0.000 1.348 602 I CB -0.577 37.506 38.000 0.139 0.000 1.417 602 I HN -0.297 nan 8.210 nan 0.000 0.521 603 N N 4.036 122.764 118.700 0.045 0.000 2.347 603 N HA 0.082 4.832 4.740 0.016 0.000 0.278 603 N C 1.275 176.799 175.510 0.024 0.000 1.367 603 N CA 1.012 54.078 53.050 0.026 0.000 0.898 603 N CB 0.515 39.010 38.487 0.014 0.000 1.203 603 N HN 0.824 nan 8.380 nan 0.000 0.491 604 E N 2.054 122.270 120.200 0.027 0.000 2.463 604 E HA -0.214 4.145 4.350 0.016 0.000 0.201 604 E C 1.465 178.071 176.600 0.009 0.000 1.045 604 E CA 1.223 57.639 56.400 0.028 0.000 0.872 604 E CB -0.479 29.238 29.700 0.028 0.000 0.797 604 E HN 0.638 nan 8.360 nan 0.000 0.538 605 N N -0.182 118.518 118.700 -0.000 0.000 2.278 605 N HA -0.074 4.675 4.740 0.016 0.000 0.181 605 N C 1.760 177.251 175.510 -0.031 0.000 1.023 605 N CA 1.442 54.486 53.050 -0.010 0.000 0.862 605 N CB -0.101 38.383 38.487 -0.005 0.000 1.003 605 N HN 0.215 nan 8.380 nan 0.000 0.431 606 V N 0.546 120.437 119.914 -0.038 0.000 2.490 606 V HA -0.147 3.982 4.120 0.016 0.000 0.250 606 V C 2.341 178.339 176.094 -0.159 0.000 1.061 606 V CA 1.124 63.378 62.300 -0.077 0.000 1.064 606 V CB -0.394 31.395 31.823 -0.058 0.000 0.670 606 V HN 0.150 nan 8.190 nan 0.000 0.461 607 V N 0.468 120.311 119.914 -0.119 0.000 2.237 607 V HA -0.285 3.844 4.120 0.016 0.000 0.245 607 V C 2.771 178.792 176.094 -0.121 0.000 1.046 607 V CA 2.101 64.312 62.300 -0.147 0.000 1.007 607 V CB -1.369 30.478 31.823 0.040 0.000 0.638 607 V HN 0.551 nan 8.190 nan 0.000 0.445 608 A N 0.048 122.839 122.820 -0.048 0.000 1.915 608 A HA -0.264 4.065 4.320 0.016 0.000 0.220 608 A C 2.237 179.790 177.584 -0.052 0.000 1.198 608 A CA 2.462 54.482 52.037 -0.029 0.000 0.647 608 A CB -0.778 18.213 19.000 -0.015 0.000 0.825 608 A HN 0.520 nan 8.150 nan 0.000 0.456 609 L N -1.030 120.147 121.223 -0.076 0.000 2.012 609 L HA -0.220 4.130 4.340 0.016 0.000 0.210 609 L C 2.638 179.445 176.870 -0.105 0.000 1.073 609 L CA 1.506 56.300 54.840 -0.076 0.000 0.748 609 L CB -0.693 41.321 42.059 -0.075 0.000 0.891 609 L HN 0.397 nan 8.230 nan 0.000 0.431 610 L N -0.335 120.768 121.223 -0.199 0.000 2.131 610 L HA -0.116 4.233 4.340 0.016 0.000 0.210 610 L C 2.595 179.404 176.870 -0.102 0.000 1.092 610 L CA 1.126 55.814 54.840 -0.253 0.000 0.759 610 L CB -1.013 40.626 42.059 -0.701 0.000 0.903 610 L HN 0.326 nan 8.230 nan 0.000 0.435 611 G N -0.453 108.317 108.800 -0.050 0.000 2.498 611 G HA2 -0.087 3.883 3.960 0.016 0.000 0.219 611 G HA3 -0.087 3.883 3.960 0.016 0.000 0.219 611 G C 1.129 176.038 174.900 0.014 0.000 1.119 611 G CA 0.660 45.786 45.100 0.043 0.000 0.766 611 G HN 0.448 nan 8.290 nan 0.000 0.552 612 A N -0.007 122.804 122.820 -0.015 0.000 2.637 612 A HA 0.648 4.978 4.320 0.016 0.000 0.293 612 A C 0.887 178.456 177.584 -0.024 0.000 1.216 612 A CA 0.155 52.184 52.037 -0.015 0.000 0.956 612 A CB -0.046 18.945 19.000 -0.015 0.000 1.174 612 A HN 0.258 nan 8.150 nan 0.000 0.525 613 S N -0.574 115.108 115.700 -0.030 0.000 2.589 613 S HA 0.226 4.706 4.470 0.016 0.000 0.265 613 S C 1.266 175.843 174.600 -0.039 0.000 1.342 613 S CA 0.030 58.206 58.200 -0.040 0.000 1.005 613 S CB 0.929 64.102 63.200 -0.046 0.000 0.909 613 S HN 0.354 nan 8.310 nan 0.000 0.555 614 K N 1.210 121.582 120.400 -0.047 0.000 2.186 614 K HA 0.159 4.488 4.320 0.016 0.000 0.202 614 K C 0.312 176.872 176.600 -0.067 0.000 1.052 614 K CA 0.594 56.851 56.287 -0.050 0.000 0.965 614 K CB -0.179 32.292 32.500 -0.049 0.000 0.746 614 K HN 0.692 nan 8.250 nan 0.000 0.457 615 E N 1.637 121.786 120.200 -0.085 0.000 2.265 615 E HA 0.012 4.371 4.350 0.016 0.000 0.272 615 E C -1.826 174.714 176.600 -0.099 0.000 1.067 615 E CA -1.727 54.610 56.400 -0.105 0.000 0.900 615 E CB 0.917 30.544 29.700 -0.122 0.000 1.017 615 E HN -0.012 nan 8.360 nan 0.000 0.431 616 P HA -0.213 nan 4.420 nan 0.000 0.218 616 P C 1.206 178.415 177.300 -0.151 0.000 1.148 616 P CA 0.741 63.777 63.100 -0.106 0.000 0.822 616 P CB 0.232 31.871 31.700 -0.101 0.000 0.784 617 L N 0.036 121.123 121.223 -0.227 0.000 2.044 617 L HA -0.072 4.278 4.340 0.016 0.000 0.205 617 L C 2.559 179.282 176.870 -0.245 0.000 1.075 617 L CA 1.577 56.197 54.840 -0.366 0.000 0.747 617 L CB -1.344 40.407 42.059 -0.513 0.000 0.903 617 L HN -0.244 nan 8.230 nan 0.000 0.435 618 V N 0.350 120.186 119.914 -0.131 0.000 2.287 618 V HA -0.332 3.797 4.120 0.016 0.000 0.248 618 V C 2.819 178.963 176.094 0.084 0.000 1.053 618 V CA 1.675 63.986 62.300 0.019 0.000 1.027 618 V CB -1.469 30.363 31.823 0.015 0.000 0.646 618 V HN 0.622 nan 8.190 nan 0.000 0.447 619 A N -0.293 122.531 122.820 0.007 0.000 1.859 619 A HA -0.354 3.975 4.320 0.016 0.000 0.218 619 A C 2.311 179.920 177.584 0.042 0.000 1.209 619 A CA 2.431 54.484 52.037 0.027 0.000 0.639 619 A CB -0.756 18.236 19.000 -0.013 0.000 0.835 619 A HN 0.628 nan 8.150 nan 0.000 0.450 620 E N -0.321 119.867 120.200 -0.020 0.000 2.085 620 E HA -0.188 4.171 4.350 0.016 0.000 0.194 620 E C 1.966 178.549 176.600 -0.028 0.000 0.994 620 E CA 1.197 57.585 56.400 -0.019 0.000 0.801 620 E CB -0.245 29.430 29.700 -0.042 0.000 0.743 620 E HN 0.622 nan 8.360 nan 0.000 0.453 621 L N -0.332 120.841 121.223 -0.084 0.000 2.187 621 L HA -0.146 4.203 4.340 0.016 0.000 0.213 621 L C 0.714 177.379 176.870 -0.341 0.000 1.100 621 L CA 0.836 55.555 54.840 -0.201 0.000 0.765 621 L CB -0.085 41.832 42.059 -0.237 0.000 0.904 621 L HN 0.133 nan 8.230 nan 0.000 0.437 622 F N -0.032 119.904 119.950 -0.024 0.000 2.627 622 F HA 0.296 4.833 4.527 0.017 0.000 0.329 622 F C 0.513 176.310 175.800 -0.006 0.000 1.378 622 F CA -0.499 57.497 58.000 -0.007 0.000 1.134 622 F CB 0.373 39.369 39.000 -0.006 0.000 1.229 622 F HN -0.198 nan 8.300 nan 0.000 0.537 623 K N 1.545 122.000 120.400 0.092 0.000 2.213 623 K HA 0.747 5.076 4.320 0.016 0.000 0.270 623 K C 0.546 177.176 176.600 0.050 0.000 1.002 623 K CA -0.500 55.826 56.287 0.065 0.000 0.868 623 K CB 1.191 33.712 32.500 0.036 0.000 1.093 623 K HN 0.371 nan 8.250 nan 0.000 0.454 644 T N -3.970 110.610 114.554 0.044 0.000 2.937 644 T HA 0.581 4.940 4.350 0.016 0.000 0.283 644 T C 1.263 176.021 174.700 0.095 0.000 1.012 644 T CA -0.771 61.359 62.100 0.050 0.000 0.997 644 T CB 1.146 70.032 68.868 0.030 0.000 1.136 644 T HN 0.169 nan 8.240 nan 0.000 0.551 645 I N 1.068 121.710 120.570 0.120 0.000 2.163 645 I HA -0.214 3.965 4.170 0.016 0.000 0.243 645 I C 3.018 179.278 176.117 0.238 0.000 1.085 645 I CA 1.962 63.371 61.300 0.182 0.000 1.347 645 I CB -0.448 37.699 38.000 0.244 0.000 1.044 645 I HN 0.897 nan 8.210 nan 0.000 0.408 646 S N 1.172 117.040 115.700 0.280 0.000 2.368 646 S HA -0.141 4.338 4.470 0.016 0.000 0.224 646 S C 2.240 176.968 174.600 0.214 0.000 1.029 646 S CA 0.871 59.244 58.200 0.288 0.000 0.988 646 S CB -0.578 62.795 63.200 0.289 0.000 0.838 646 S HN 0.395 nan 8.310 nan 0.000 0.462 647 A N 1.710 124.622 122.820 0.153 0.000 1.858 647 A HA 0.046 4.376 4.320 0.016 0.000 0.216 647 A C 2.479 180.140 177.584 0.129 0.000 1.190 647 A CA 1.789 53.897 52.037 0.118 0.000 0.617 647 A CB -1.328 17.719 19.000 0.079 0.000 0.827 647 A HN 0.474 nan 8.150 nan 0.000 0.443 648 V N -0.353 119.644 119.914 0.138 0.000 2.287 648 V HA -0.303 3.826 4.120 0.016 0.000 0.248 648 V C 2.530 178.743 176.094 0.198 0.000 1.053 648 V CA 2.615 65.000 62.300 0.142 0.000 1.027 648 V CB -1.029 30.873 31.823 0.132 0.000 0.646 648 V HN 0.822 nan 8.190 nan 0.000 0.447 649 H N 0.197 119.353 119.070 0.143 0.000 2.421 649 H HA -0.118 4.444 4.556 0.010 0.000 0.298 649 H C 2.370 177.813 175.328 0.192 0.000 1.087 649 H CA 1.892 58.046 56.048 0.177 0.000 1.330 649 H CB -0.050 29.810 29.762 0.163 0.000 1.388 649 H HN 0.215 nan 8.280 nan 0.000 0.526 650 R N 0.126 120.693 120.500 0.111 0.000 2.073 650 R HA -0.083 4.266 4.340 0.016 0.000 0.234 650 R C 2.368 178.688 176.300 0.033 0.000 1.134 650 R CA 1.411 57.555 56.100 0.073 0.000 0.952 650 R CB -0.117 30.253 30.300 0.117 0.000 0.850 650 R HN 0.275 nan 8.270 nan 0.000 0.433 651 E N -0.073 120.164 120.200 0.062 0.000 2.051 651 E HA -0.115 4.245 4.350 0.016 0.000 0.192 651 E C 2.044 178.682 176.600 0.063 0.000 0.991 651 E CA 1.339 57.775 56.400 0.060 0.000 0.799 651 E CB -0.170 29.569 29.700 0.066 0.000 0.748 651 E HN 0.161 nan 8.360 nan 0.000 0.449 652 S N 0.866 116.623 115.700 0.095 0.000 2.353 652 S HA -0.180 4.299 4.470 0.016 0.000 0.222 652 S C 1.906 176.583 174.600 0.128 0.000 1.035 652 S CA 1.082 59.395 58.200 0.189 0.000 1.025 652 S CB -0.363 63.052 63.200 0.358 0.000 0.902 652 S HN 0.158 nan 8.310 nan 0.000 0.440 653 L N 2.744 123.909 121.223 -0.096 0.000 2.042 653 L HA -0.095 4.255 4.340 0.016 0.000 0.210 653 L C 1.794 178.596 176.870 -0.114 0.000 1.076 653 L CA 1.713 56.409 54.840 -0.240 0.000 0.749 653 L CB -0.977 40.805 42.059 -0.461 0.000 0.893 653 L HN 0.187 nan 8.230 nan 0.000 0.432 654 N N -0.212 118.467 118.700 -0.036 0.000 2.149 654 N HA -0.230 4.520 4.740 0.016 0.000 0.188 654 N C 1.864 177.388 175.510 0.024 0.000 1.019 654 N CA 1.308 54.363 53.050 0.009 0.000 0.857 654 N CB -0.204 38.305 38.487 0.036 0.000 0.997 654 N HN 0.437 nan 8.380 nan 0.000 0.426 655 K N 0.457 120.881 120.400 0.041 0.000 2.057 655 K HA -0.086 4.243 4.320 0.016 0.000 0.206 655 K C 1.972 178.600 176.600 0.046 0.000 1.050 655 K CA 0.595 56.923 56.287 0.069 0.000 0.935 655 K CB -0.148 32.412 32.500 0.099 0.000 0.715 655 K HN 0.011 nan 8.250 nan 0.000 0.439 656 L N 1.215 122.431 121.223 -0.011 0.000 1.994 656 L HA -0.195 4.154 4.340 0.016 0.000 0.208 656 L C 2.100 178.818 176.870 -0.253 0.000 1.071 656 L CA 1.764 56.485 54.840 -0.198 0.000 0.745 656 L CB -0.515 41.342 42.059 -0.337 0.000 0.892 656 L HN 0.202 nan 8.230 nan 0.000 0.431 657 M N 0.404 119.899 119.600 -0.174 0.000 2.108 657 M HA -0.188 4.301 4.480 0.016 0.000 0.261 657 M C 2.531 178.874 176.300 0.073 0.000 1.066 657 M CA 2.402 57.641 55.300 -0.102 0.000 1.107 657 M CB -1.900 30.737 32.600 0.062 0.000 1.356 657 M HN 0.448 nan 8.290 nan 0.000 0.406 658 K N 0.492 120.949 120.400 0.095 0.000 2.057 658 K HA -0.147 4.183 4.320 0.016 0.000 0.207 658 K C 1.765 178.461 176.600 0.159 0.000 1.049 658 K CA 2.053 58.429 56.287 0.148 0.000 0.931 658 K CB -1.739 30.828 32.500 0.110 0.000 0.714 658 K HN 0.650 nan 8.250 nan 0.000 0.440 659 N N -0.141 118.636 118.700 0.127 0.000 2.142 659 N HA 0.016 4.765 4.740 0.016 0.000 0.186 659 N C 1.888 177.514 175.510 0.193 0.000 1.023 659 N CA 1.091 54.287 53.050 0.243 0.000 0.852 659 N CB -0.121 38.562 38.487 0.328 0.000 0.998 659 N HN 0.293 nan 8.380 nan 0.000 0.424 660 L N -0.326 120.841 121.223 -0.092 0.000 2.093 660 L HA -0.149 4.200 4.340 0.016 0.000 0.208 660 L C 1.332 178.097 176.870 -0.176 0.000 1.085 660 L CA 0.998 55.627 54.840 -0.351 0.000 0.755 660 L CB -0.321 41.104 42.059 -1.056 0.000 0.904 660 L HN 0.281 nan 8.230 nan 0.000 0.435 661 Y N -0.495 119.820 120.300 0.024 0.000 2.632 661 Y HA -0.116 4.448 4.550 0.023 0.000 0.301 661 Y C 2.443 178.449 175.900 0.175 0.000 1.172 661 Y CA 0.839 59.054 58.100 0.190 0.000 1.328 661 Y CB -0.233 38.275 38.460 0.080 0.000 1.016 661 Y HN 0.218 nan 8.280 nan 0.000 0.529 662 S N -2.159 113.698 115.700 0.262 0.000 2.554 662 S HA 0.146 4.626 4.470 0.016 0.000 0.226 662 S C 0.645 175.339 174.600 0.157 0.000 0.980 662 S CA 0.058 58.385 58.200 0.211 0.000 0.939 662 S CB -0.431 62.895 63.200 0.210 0.000 0.832 662 S HN 0.225 nan 8.310 nan 0.000 0.486 663 T N -0.847 113.815 114.554 0.181 0.000 2.940 663 T HA 0.462 4.821 4.350 0.016 0.000 0.288 663 T C -0.934 173.868 174.700 0.171 0.000 1.045 663 T CA -0.714 61.462 62.100 0.127 0.000 1.018 663 T CB 1.395 70.339 68.868 0.126 0.000 1.151 663 T HN 0.275 nan 8.240 nan 0.000 0.529 664 H N 2.553 121.612 119.070 -0.018 0.000 2.556 664 H HA 0.500 5.064 4.556 0.013 0.000 0.310 664 H C -2.760 172.427 175.328 -0.235 0.000 1.057 664 H CA -2.303 53.671 56.048 -0.122 0.000 1.264 664 H CB 1.566 31.260 29.762 -0.113 0.000 1.404 664 H HN 0.456 nan 8.280 nan 0.000 0.462 665 P HA 0.227 nan 4.420 nan 0.000 0.286 665 P C -0.850 176.067 177.300 -0.637 0.000 1.261 665 P CA -0.383 62.475 63.100 -0.404 0.000 0.821 665 P CB 1.715 33.023 31.700 -0.653 0.000 1.013 666 H N 2.369 121.194 119.070 -0.408 0.000 2.800 666 H HA 0.312 4.874 4.556 0.010 0.000 0.322 666 H C -0.544 174.602 175.328 -0.304 0.000 0.979 666 H CA -0.285 55.612 56.048 -0.251 0.000 1.277 666 H CB 0.494 30.185 29.762 -0.118 0.000 1.484 666 H HN 0.302 nan 8.280 nan 0.000 0.512 667 F N 1.856 121.866 119.950 0.100 0.000 2.394 667 F HA 0.325 4.851 4.527 -0.001 0.000 0.340 667 F C 0.530 176.465 175.800 0.225 0.000 1.105 667 F CA -0.818 57.296 58.000 0.190 0.000 1.124 667 F CB 1.290 40.467 39.000 0.295 0.000 1.145 667 F HN 0.103 nan 8.300 nan 0.000 0.505 668 V N 4.466 124.597 119.914 0.362 0.000 2.407 668 V HA 0.484 4.614 4.120 0.016 0.000 0.291 668 V C -0.417 175.818 176.094 0.235 0.000 1.018 668 V CA -0.939 61.527 62.300 0.277 0.000 0.842 668 V CB 1.514 33.451 31.823 0.190 0.000 0.996 668 V HN 0.530 nan 8.190 nan 0.000 0.426 669 R N 2.835 123.460 120.500 0.209 0.000 2.215 669 R HA 0.478 4.827 4.340 0.016 0.000 0.336 669 R C -0.640 175.696 176.300 0.059 0.000 0.996 669 R CA -0.378 55.783 56.100 0.101 0.000 0.847 669 R CB 1.002 31.324 30.300 0.037 0.000 1.127 669 R HN 0.652 nan 8.270 nan 0.000 0.465 670 C N 4.378 123.695 119.300 0.030 0.000 2.405 670 C HA 0.676 5.146 4.460 0.016 0.000 0.365 670 C C 0.582 175.541 174.990 -0.052 0.000 1.233 670 C CA -0.647 58.367 59.018 -0.007 0.000 2.230 670 C CB -0.114 27.621 27.740 -0.009 0.000 2.443 670 C HN 0.819 nan 8.230 nan 0.000 0.556 671 I N 1.465 121.981 120.570 -0.090 0.000 2.607 671 I HA 0.564 4.743 4.170 0.016 0.000 0.290 671 I C -0.845 175.191 176.117 -0.136 0.000 1.129 671 I CA -0.502 60.732 61.300 -0.110 0.000 1.042 671 I CB 1.051 38.978 38.000 -0.123 0.000 1.242 671 I HN 0.695 nan 8.210 nan 0.000 0.421 672 I N 8.668 129.184 120.570 -0.090 0.000 2.352 672 I HA 0.421 4.600 4.170 0.016 0.000 0.290 672 I C -1.463 174.625 176.117 -0.048 0.000 1.036 672 I CA -2.155 59.115 61.300 -0.049 0.000 1.336 672 I CB 1.860 39.880 38.000 0.034 0.000 1.407 672 I HN 0.635 nan 8.210 nan 0.000 0.497 673 P HA -0.030 nan 4.420 nan 0.000 0.225 673 P C -0.833 176.471 177.300 0.006 0.000 1.156 673 P CA 0.922 63.960 63.100 -0.103 0.000 0.787 673 P CB 0.009 31.548 31.700 -0.269 0.000 0.802 674 N N -2.561 116.186 118.700 0.078 0.000 3.116 674 N HA 0.130 4.879 4.740 0.016 0.000 0.244 674 N C -0.018 175.514 175.510 0.038 0.000 1.485 674 N CA -0.675 52.401 53.050 0.044 0.000 0.884 674 N CB 0.070 38.573 38.487 0.027 0.000 1.415 674 N HN -0.395 nan 8.380 nan 0.000 0.524 675 E N -0.127 120.072 120.200 -0.001 0.000 2.474 675 E HA 0.217 4.577 4.350 0.016 0.000 0.195 675 E C 0.428 176.985 176.600 -0.071 0.000 1.039 675 E CA 0.216 56.608 56.400 -0.013 0.000 0.881 675 E CB 0.103 29.802 29.700 -0.003 0.000 0.970 675 E HN 0.564 nan 8.360 nan 0.000 0.486 676 L N -0.120 121.028 121.223 -0.125 0.000 2.693 676 L HA 0.208 4.557 4.340 0.016 0.000 0.235 676 L C 0.344 177.013 176.870 -0.335 0.000 1.127 676 L CA -0.083 54.656 54.840 -0.169 0.000 0.914 676 L CB -0.016 41.976 42.059 -0.112 0.000 1.193 676 L HN -0.087 nan 8.230 nan 0.000 0.502 677 K N 0.589 120.594 120.400 -0.660 0.000 3.088 677 K HA -0.257 4.073 4.320 0.016 0.000 0.273 677 K C 0.362 176.409 176.600 -0.920 0.000 1.111 677 K CA 0.668 56.029 56.287 -1.543 0.000 0.803 677 K CB -1.320 30.696 32.500 -0.807 0.000 1.226 677 K HN 0.419 nan 8.250 nan 0.000 0.485 678 Q N 1.370 120.892 119.800 -0.464 0.000 2.296 678 Q HA 0.208 4.558 4.340 0.016 0.000 0.257 678 Q C -2.283 173.727 176.000 0.017 0.000 0.942 678 Q CA -2.353 53.355 55.803 -0.159 0.000 0.939 678 Q CB 1.122 29.806 28.738 -0.090 0.000 1.198 678 Q HN -0.045 nan 8.270 nan 0.000 0.429 679 P HA 0.002 nan 4.420 nan 0.000 0.268 679 P C 0.438 177.766 177.300 0.047 0.000 1.205 679 P CA 1.095 64.271 63.100 0.126 0.000 0.771 679 P CB 0.988 32.720 31.700 0.054 0.000 0.858 680 G N 1.476 110.273 108.800 -0.005 0.000 2.284 680 G HA2 -0.293 3.676 3.960 0.016 0.000 0.261 680 G HA3 -0.293 3.676 3.960 0.016 0.000 0.261 680 G C -0.080 174.897 174.900 0.128 0.000 0.997 680 G CA 0.306 45.325 45.100 -0.136 0.000 0.621 680 G HN 0.637 nan 8.290 nan 0.000 0.534 681 L N 1.563 122.900 121.223 0.190 0.000 2.349 681 L HA 0.682 5.032 4.340 0.016 0.000 0.275 681 L C 0.171 177.154 176.870 0.188 0.000 1.115 681 L CA -0.540 54.387 54.840 0.146 0.000 0.820 681 L CB 1.646 43.751 42.059 0.076 0.000 1.135 681 L HN 0.133 nan 8.230 nan 0.000 0.445 682 V N 4.261 124.251 119.914 0.127 0.000 2.540 682 V HA 0.374 4.504 4.120 0.016 0.000 0.302 682 V C -0.817 175.300 176.094 0.039 0.000 1.035 682 V CA -0.684 61.661 62.300 0.076 0.000 0.873 682 V CB 1.611 33.484 31.823 0.083 0.000 0.992 682 V HN 0.759 nan 8.190 nan 0.000 0.428 683 D N 3.596 124.005 120.400 0.015 0.000 2.477 683 D HA 0.524 5.174 4.640 0.016 0.000 0.239 683 D C 0.869 177.168 176.300 -0.002 0.000 1.102 683 D CA 0.114 54.118 54.000 0.008 0.000 0.901 683 D CB 1.733 42.538 40.800 0.008 0.000 1.026 683 D HN 0.537 nan 8.370 nan 0.000 0.515 684 A N 4.386 127.204 122.820 -0.002 0.000 1.863 684 A HA -0.267 4.062 4.320 0.016 0.000 0.218 684 A C 1.774 179.350 177.584 -0.013 0.000 1.233 684 A CA 1.659 53.690 52.037 -0.010 0.000 0.655 684 A CB -0.592 18.395 19.000 -0.021 0.000 0.839 684 A HN 0.701 nan 8.150 nan 0.000 0.454 685 E N -0.955 119.229 120.200 -0.026 0.000 2.219 685 E HA -0.227 4.133 4.350 0.016 0.000 0.198 685 E C 1.876 178.492 176.600 0.027 0.000 0.998 685 E CA 1.259 57.647 56.400 -0.020 0.000 0.818 685 E CB -0.312 29.364 29.700 -0.040 0.000 0.741 685 E HN 0.512 nan 8.360 nan 0.000 0.477 686 L N 0.390 121.628 121.223 0.026 0.000 2.049 686 L HA -0.107 4.243 4.340 0.016 0.000 0.203 686 L C 2.258 179.150 176.870 0.038 0.000 1.074 686 L CA 1.267 56.141 54.840 0.055 0.000 0.749 686 L CB -0.376 41.702 42.059 0.031 0.000 0.907 686 L HN -0.103 nan 8.230 nan 0.000 0.439 687 V N -0.248 119.662 119.914 -0.006 0.000 2.343 687 V HA -0.290 3.840 4.120 0.016 0.000 0.247 687 V C 2.598 178.672 176.094 -0.032 0.000 1.051 687 V CA 1.878 64.153 62.300 -0.042 0.000 1.036 687 V CB -0.563 31.223 31.823 -0.062 0.000 0.654 687 V HN 0.407 nan 8.190 nan 0.000 0.451 688 L N -0.397 120.830 121.223 0.006 0.000 2.012 688 L HA -0.243 4.106 4.340 0.016 0.000 0.210 688 L C 2.674 179.558 176.870 0.024 0.000 1.073 688 L CA 2.152 57.006 54.840 0.023 0.000 0.748 688 L CB -0.868 41.223 42.059 0.054 0.000 0.891 688 L HN 0.464 nan 8.230 nan 0.000 0.431 689 H N 0.542 119.592 119.070 -0.033 0.000 2.353 689 H HA -0.224 4.344 4.556 0.020 0.000 0.298 689 H C 2.113 177.415 175.328 -0.043 0.000 1.103 689 H CA 1.915 57.941 56.048 -0.036 0.000 1.293 689 H CB -0.101 29.640 29.762 -0.035 0.000 1.372 689 H HN 0.375 nan 8.280 nan 0.000 0.501 690 Q N -0.420 119.175 119.800 -0.342 0.000 2.488 690 Q HA 0.036 4.385 4.340 0.016 0.000 0.211 690 Q C 1.869 177.730 176.000 -0.231 0.000 0.967 690 Q CA 0.742 56.332 55.803 -0.356 0.000 0.926 690 Q CB 0.268 28.875 28.738 -0.217 0.000 0.992 690 Q HN 0.505 nan 8.270 nan 0.000 0.506 691 L N -0.218 120.908 121.223 -0.161 0.000 2.529 691 L HA -0.002 4.348 4.340 0.016 0.000 0.223 691 L C 2.023 178.819 176.870 -0.123 0.000 1.113 691 L CA 0.165 54.926 54.840 -0.132 0.000 0.861 691 L CB -0.059 41.946 42.059 -0.091 0.000 1.012 691 L HN 0.216 nan 8.230 nan 0.000 0.461 692 Q N -0.695 119.038 119.800 -0.112 0.000 2.181 692 Q HA -0.200 4.150 4.340 0.016 0.000 0.205 692 Q C 0.638 176.584 176.000 -0.089 0.000 0.980 692 Q CA 1.126 56.885 55.803 -0.073 0.000 0.862 692 Q CB 0.122 28.848 28.738 -0.020 0.000 0.905 692 Q HN 0.453 nan 8.270 nan 0.000 0.429 693 C N 1.100 120.323 119.300 -0.128 0.000 3.392 693 C HA 0.238 4.707 4.460 0.016 0.000 0.217 693 C C -0.231 174.638 174.990 -0.201 0.000 1.222 693 C CA -0.598 58.349 59.018 -0.118 0.000 1.200 693 C CB -1.053 26.642 27.740 -0.075 0.000 1.818 693 C HN 0.613 nan 8.230 nan 0.000 0.586 694 N N 0.379 118.920 118.700 -0.265 0.000 2.162 694 N HA 0.273 5.023 4.740 0.016 0.000 0.232 694 N C 1.015 176.172 175.510 -0.588 0.000 1.361 694 N CA 0.226 53.015 53.050 -0.434 0.000 0.786 694 N CB 0.707 38.986 38.487 -0.346 0.000 1.290 694 N HN 0.662 nan 8.380 nan 0.000 0.505 695 G N 0.453 109.016 108.800 -0.395 0.000 2.336 695 G HA2 -0.293 3.677 3.960 0.016 0.000 0.233 695 G HA3 -0.293 3.677 3.960 0.016 0.000 0.233 695 G C 0.539 175.002 174.900 -0.729 0.000 1.053 695 G CA 0.029 44.805 45.100 -0.541 0.000 0.625 695 G HN 0.714 nan 8.290 nan 0.000 0.511 696 V N 1.427 120.936 119.914 -0.675 0.000 2.509 696 V HA 0.615 4.745 4.120 0.016 0.000 0.297 696 V C 2.391 178.366 176.094 -0.199 0.000 1.014 696 V CA 1.463 63.540 62.300 -0.371 0.000 1.127 696 V CB 0.036 31.715 31.823 -0.240 0.000 0.925 696 V HN 1.903 nan 8.190 nan 0.000 0.480 697 L N 2.958 124.122 121.223 -0.098 0.000 2.879 697 L HA 0.458 4.807 4.340 0.016 0.000 0.254 697 L C 1.008 177.854 176.870 -0.041 0.000 1.157 697 L CA 1.990 56.806 54.840 -0.038 0.000 0.886 697 L CB -2.541 39.522 42.059 0.006 0.000 1.076 697 L HN 1.331 nan 8.230 nan 0.000 0.446 705 K N -0.052 120.263 120.400 -0.142 0.000 2.259 705 K HA 0.660 4.989 4.320 0.016 0.000 0.249 705 K C 1.020 177.462 176.600 -0.263 0.000 0.942 705 K CA -0.057 56.050 56.287 -0.299 0.000 0.816 705 K CB 2.344 34.494 32.500 -0.583 0.000 1.155 705 K HN 0.792 nan 8.250 nan 0.000 0.428 706 G N 1.847 110.477 108.800 -0.283 0.000 3.440 706 G HA2 0.114 4.084 3.960 0.016 0.000 0.263 706 G HA3 0.114 4.084 3.960 0.016 0.000 0.263 706 G C -0.524 174.404 174.900 0.045 0.000 1.236 706 G CA -0.123 44.925 45.100 -0.086 0.000 0.927 706 G HN 0.241 nan 8.290 nan 0.000 0.530 707 F N 1.312 121.263 119.950 0.001 0.000 2.380 707 F HA 0.374 4.910 4.527 0.014 0.000 0.325 707 F C -1.386 174.386 175.800 -0.047 0.000 1.136 707 F CA -3.519 54.461 58.000 -0.033 0.000 1.171 707 F CB 0.513 39.507 39.000 -0.010 0.000 1.230 707 F HN -0.046 nan 8.300 nan 0.000 0.554 708 P HA 0.095 nan 4.420 nan 0.000 0.268 708 P C -0.656 176.733 177.300 0.148 0.000 1.205 708 P CA -0.226 62.863 63.100 -0.019 0.000 0.771 708 P CB 0.780 32.237 31.700 -0.405 0.000 0.858 709 S N 2.999 118.798 115.700 0.165 0.000 2.632 709 S HA 0.588 5.067 4.470 0.016 0.000 0.267 709 S C 0.182 174.819 174.600 0.062 0.000 1.276 709 S CA -0.759 57.528 58.200 0.146 0.000 0.998 709 S CB 1.008 64.319 63.200 0.184 0.000 0.953 709 S HN 0.664 nan 8.310 nan 0.000 0.547 710 R N 0.623 121.067 120.500 -0.093 0.000 2.651 710 R HA 0.703 5.053 4.340 0.016 0.000 0.278 710 R C -1.869 174.307 176.300 -0.206 0.000 1.010 710 R CA -0.946 54.906 56.100 -0.415 0.000 0.896 710 R CB 0.927 30.632 30.300 -0.991 0.000 1.211 710 R HN 0.639 nan 8.270 nan 0.000 0.456 711 L N 3.613 124.709 121.223 -0.212 0.000 2.422 711 L HA 0.525 4.875 4.340 0.016 0.000 0.264 711 L C 0.241 177.008 176.870 -0.171 0.000 0.984 711 L CA -1.435 53.369 54.840 -0.059 0.000 0.819 711 L CB 2.527 44.702 42.059 0.193 0.000 1.330 711 L HN 0.681 nan 8.230 nan 0.000 0.410 712 I N -0.921 119.605 120.570 -0.073 0.000 2.517 712 I HA 0.051 4.231 4.170 0.016 0.000 0.285 712 I C 0.732 176.881 176.117 0.054 0.000 1.106 712 I CA -0.273 60.990 61.300 -0.061 0.000 1.402 712 I CB 0.239 38.249 38.000 0.018 0.000 1.399 712 I HN 0.601 nan 8.210 nan 0.000 0.535 713 Y N 4.132 124.491 120.300 0.099 0.000 2.170 713 Y HA -0.389 4.171 4.550 0.017 0.000 0.274 713 Y C 2.902 178.930 175.900 0.214 0.000 1.253 713 Y CA 2.310 60.506 58.100 0.160 0.000 1.133 713 Y CB -1.127 37.397 38.460 0.105 0.000 0.941 713 Y HN 0.892 nan 8.280 nan 0.000 0.518 714 S N -0.238 115.639 115.700 0.295 0.000 2.365 714 S HA -0.315 4.165 4.470 0.016 0.000 0.221 714 S C 2.357 177.061 174.600 0.175 0.000 1.037 714 S CA 2.331 60.650 58.200 0.199 0.000 1.060 714 S CB -0.631 62.653 63.200 0.139 0.000 0.974 714 S HN 0.591 nan 8.310 nan 0.000 0.427 715 E N 0.321 120.617 120.200 0.159 0.000 2.160 715 E HA -0.099 4.261 4.350 0.016 0.000 0.195 715 E C 1.721 178.402 176.600 0.135 0.000 0.991 715 E CA 1.495 57.966 56.400 0.118 0.000 0.810 715 E CB -1.157 28.609 29.700 0.110 0.000 0.742 715 E HN 0.731 nan 8.360 nan 0.000 0.466 716 F N 1.802 121.817 119.950 0.108 0.000 2.031 716 F HA -0.023 4.513 4.527 0.015 0.000 0.295 716 F C 2.971 178.853 175.800 0.135 0.000 1.133 716 F CA 3.272 61.383 58.000 0.186 0.000 1.188 716 F CB -0.768 38.405 39.000 0.289 0.000 0.974 716 F HN 0.301 nan 8.300 nan 0.000 0.473 717 K N 0.928 121.456 120.400 0.213 0.000 2.127 717 K HA -0.243 4.086 4.320 0.016 0.000 0.208 717 K C 1.745 178.311 176.600 -0.057 0.000 1.047 717 K CA 2.051 58.377 56.287 0.064 0.000 0.927 717 K CB -1.653 30.942 32.500 0.158 0.000 0.716 717 K HN 0.799 nan 8.250 nan 0.000 0.450 718 Q N -1.383 118.391 119.800 -0.044 0.000 2.451 718 Q HA 0.023 4.372 4.340 0.016 0.000 0.206 718 Q C 1.911 177.798 176.000 -0.188 0.000 0.947 718 Q CA 1.024 56.777 55.803 -0.084 0.000 0.937 718 Q CB 0.267 28.984 28.738 -0.034 0.000 1.025 718 Q HN 0.486 nan 8.270 nan 0.000 0.511 719 R N -0.366 119.934 120.500 -0.334 0.000 2.257 719 R HA 0.108 4.457 4.340 0.016 0.000 0.195 719 R C 0.194 176.003 176.300 -0.819 0.000 0.921 719 R CA 0.770 56.512 56.100 -0.597 0.000 1.069 719 R CB 0.405 30.233 30.300 -0.787 0.000 1.115 719 R HN 0.199 nan 8.270 nan 0.000 0.571 720 Y N 0.069 120.134 120.300 -0.392 0.000 2.557 720 Y HA 0.276 4.835 4.550 0.015 0.000 0.247 720 Y C 1.638 177.349 175.900 -0.315 0.000 1.164 720 Y CA 0.156 58.002 58.100 -0.424 0.000 1.218 720 Y CB 0.449 38.485 38.460 -0.706 0.000 1.210 720 Y HN 0.092 nan 8.280 nan 0.000 0.529 721 S N -0.065 115.547 115.700 -0.146 0.000 2.440 721 S HA -0.216 4.263 4.470 0.016 0.000 0.238 721 S C 1.859 176.437 174.600 -0.037 0.000 1.010 721 S CA 1.139 59.301 58.200 -0.063 0.000 0.972 721 S CB -0.550 62.622 63.200 -0.046 0.000 0.774 721 S HN 0.619 nan 8.310 nan 0.000 0.501 722 I N 0.036 120.578 120.570 -0.046 0.000 2.756 722 I HA -0.029 4.151 4.170 0.016 0.000 0.262 722 I C 1.421 177.537 176.117 -0.002 0.000 1.225 722 I CA 0.708 61.992 61.300 -0.027 0.000 1.472 722 I CB -0.056 37.921 38.000 -0.038 0.000 1.094 722 I HN 0.267 nan 8.210 nan 0.000 0.454 723 L N 0.911 122.142 121.223 0.012 0.000 2.478 723 L HA 0.171 4.520 4.340 0.016 0.000 0.223 723 L C 0.992 177.869 176.870 0.012 0.000 1.140 723 L CA 0.830 55.679 54.840 0.014 0.000 0.842 723 L CB -0.514 41.550 42.059 0.008 0.000 0.953 723 L HN 0.313 nan 8.230 nan 0.000 0.452 724 A N -1.931 120.897 122.820 0.014 0.000 3.411 724 A HA 0.485 4.814 4.320 0.016 0.000 0.238 724 A C -1.882 175.712 177.584 0.017 0.000 1.140 724 A CA -0.414 51.635 52.037 0.020 0.000 0.980 724 A CB -0.098 18.922 19.000 0.032 0.000 1.371 724 A HN 0.053 nan 8.150 nan 0.000 0.700 725 P HA -0.103 nan 4.420 nan 0.000 0.218 725 P C 0.838 178.144 177.300 0.009 0.000 1.149 725 P CA 1.115 64.217 63.100 0.004 0.000 0.817 725 P CB 0.178 31.876 31.700 -0.004 0.000 0.785 726 N N -0.770 117.938 118.700 0.014 0.000 2.370 726 N HA 0.133 4.883 4.740 0.016 0.000 0.198 726 N C 0.662 176.183 175.510 0.018 0.000 1.156 726 N CA 0.382 53.442 53.050 0.016 0.000 0.839 726 N CB 0.131 38.629 38.487 0.018 0.000 0.989 726 N HN 0.102 nan 8.380 nan 0.000 0.468 727 A N 0.153 122.985 122.820 0.021 0.000 2.605 727 A HA 0.374 4.703 4.320 0.016 0.000 0.292 727 A C 0.145 177.745 177.584 0.026 0.000 1.055 727 A CA -0.316 51.735 52.037 0.024 0.000 0.969 727 A CB 0.280 19.298 19.000 0.030 0.000 1.236 727 A HN 0.069 nan 8.150 nan 0.000 0.534 728 I N 2.752 123.335 120.570 0.022 0.000 2.355 728 I HA 0.324 4.504 4.170 0.016 0.000 0.288 728 I C -1.985 174.141 176.117 0.016 0.000 0.999 728 I CA -1.856 59.457 61.300 0.021 0.000 1.163 728 I CB 1.858 39.869 38.000 0.018 0.000 1.316 728 I HN 0.232 nan 8.210 nan 0.000 0.454 729 P HA 0.368 nan 4.420 nan 0.000 0.276 729 P C -0.912 176.393 177.300 0.009 0.000 1.244 729 P CA -0.214 62.893 63.100 0.012 0.000 0.801 729 P CB 1.970 33.677 31.700 0.011 0.000 1.006 735 G N 2.192 111.013 108.800 0.034 0.000 2.507 735 G HA2 -0.333 3.636 3.960 0.016 0.000 0.221 735 G HA3 -0.333 3.636 3.960 0.016 0.000 0.221 735 G C 1.413 176.322 174.900 0.016 0.000 1.119 735 G CA 0.834 45.984 45.100 0.084 0.000 0.751 735 G HN 0.371 nan 8.290 nan 0.000 0.574 736 K N 0.605 120.899 120.400 -0.177 0.000 2.057 736 K HA -0.086 4.243 4.320 0.016 0.000 0.206 736 K C 2.782 179.147 176.600 -0.390 0.000 1.050 736 K CA 1.895 57.801 56.287 -0.634 0.000 0.935 736 K CB -0.622 31.546 32.500 -0.552 0.000 0.715 736 K HN 0.484 nan 8.250 nan 0.000 0.439 737 T N -1.348 113.106 114.554 -0.166 0.000 3.014 737 T HA -0.004 4.356 4.350 0.016 0.000 0.263 737 T C 2.070 176.770 174.700 0.000 0.000 1.078 737 T CA 0.682 62.736 62.100 -0.077 0.000 1.135 737 T CB -0.277 68.564 68.868 -0.046 0.000 0.895 737 T HN -0.097 nan 8.240 nan 0.000 0.480 738 V N 1.908 121.840 119.914 0.030 0.000 2.626 738 V HA -0.120 4.009 4.120 0.016 0.000 0.252 738 V C 2.813 179.016 176.094 0.183 0.000 1.067 738 V CA 1.764 64.117 62.300 0.088 0.000 1.081 738 V CB -0.755 31.121 31.823 0.089 0.000 0.686 738 V HN 0.501 nan 8.190 nan 0.000 0.468 739 S N -0.656 115.185 115.700 0.235 0.000 2.414 739 S HA -0.137 4.343 4.470 0.016 0.000 0.227 739 S C 1.957 176.740 174.600 0.305 0.000 1.022 739 S CA 1.143 59.630 58.200 0.478 0.000 0.958 739 S CB -0.024 63.503 63.200 0.545 0.000 0.797 739 S HN 0.754 nan 8.310 nan 0.000 0.493 740 E N 1.536 121.815 120.200 0.132 0.000 2.216 740 E HA -0.051 4.308 4.350 0.016 0.000 0.192 740 E C 2.127 178.789 176.600 0.103 0.000 0.988 740 E CA 1.111 57.572 56.400 0.102 0.000 0.834 740 E CB -0.141 29.583 29.700 0.040 0.000 0.772 740 E HN 0.451 nan 8.360 nan 0.000 0.479 741 K N 0.711 121.170 120.400 0.099 0.000 2.167 741 K HA 0.020 4.349 4.320 0.016 0.000 0.203 741 K C 1.758 178.416 176.600 0.096 0.000 1.052 741 K CA 1.138 57.474 56.287 0.081 0.000 0.956 741 K CB -0.623 31.914 32.500 0.062 0.000 0.735 741 K HN 0.193 nan 8.250 nan 0.000 0.451 742 I N 0.463 121.120 120.570 0.146 0.000 2.233 742 I HA -0.168 4.011 4.170 0.016 0.000 0.243 742 I C 2.440 178.636 176.117 0.133 0.000 1.093 742 I CA 0.984 62.372 61.300 0.147 0.000 1.380 742 I CB -0.108 38.018 38.000 0.210 0.000 1.067 742 I HN 0.177 nan 8.210 nan 0.000 0.413 743 L N 0.479 121.794 121.223 0.154 0.000 2.093 743 L HA -0.139 4.210 4.340 0.016 0.000 0.208 743 L C 2.863 179.749 176.870 0.026 0.000 1.085 743 L CA 1.151 56.010 54.840 0.031 0.000 0.755 743 L CB -0.734 41.245 42.059 -0.132 0.000 0.904 743 L HN 0.224 nan 8.230 nan 0.000 0.435 744 A N 0.514 123.374 122.820 0.065 0.000 1.902 744 A HA -0.110 4.220 4.320 0.016 0.000 0.217 744 A C 2.388 180.004 177.584 0.054 0.000 1.181 744 A CA 1.690 53.769 52.037 0.069 0.000 0.623 744 A CB -1.186 17.854 19.000 0.068 0.000 0.818 744 A HN 0.429 nan 8.150 nan 0.000 0.443 745 G N 0.233 109.065 108.800 0.053 0.000 2.511 745 G HA2 -0.212 3.757 3.960 0.016 0.000 0.216 745 G HA3 -0.212 3.757 3.960 0.016 0.000 0.216 745 G C 1.424 176.344 174.900 0.034 0.000 1.218 745 G CA 1.091 46.217 45.100 0.042 0.000 0.788 745 G HN 0.462 nan 8.290 nan 0.000 0.560 746 L N -0.006 121.235 121.223 0.029 0.000 2.450 746 L HA -0.038 4.312 4.340 0.016 0.000 0.224 746 L C 1.359 178.244 176.870 0.024 0.000 1.149 746 L CA 0.756 55.606 54.840 0.017 0.000 0.816 746 L CB -0.561 41.498 42.059 -0.001 0.000 0.932 746 L HN 0.392 nan 8.230 nan 0.000 0.449 747 Q N -0.355 119.466 119.800 0.036 0.000 2.457 747 Q HA -0.238 4.111 4.340 0.016 0.000 0.283 747 Q C 0.417 176.455 176.000 0.064 0.000 1.234 747 Q CA 0.511 56.344 55.803 0.051 0.000 0.877 747 Q CB -1.186 27.578 28.738 0.044 0.000 1.250 747 Q HN 0.556 nan 8.270 nan 0.000 0.481 748 M N 1.158 120.790 119.600 0.053 0.000 2.250 748 M HA 0.000 4.490 4.480 0.016 0.000 0.337 748 M C 0.332 176.748 176.300 0.194 0.000 1.161 748 M CA 0.369 55.717 55.300 0.080 0.000 1.088 748 M CB 0.480 33.072 32.600 -0.012 0.000 1.639 748 M HN 0.167 nan 8.290 nan 0.000 0.447 749 D N 6.553 127.067 120.400 0.189 0.000 2.472 749 D HA 0.035 4.684 4.640 0.016 0.000 0.248 749 D C -1.627 174.850 176.300 0.295 0.000 1.174 749 D CA -1.238 52.875 54.000 0.189 0.000 0.883 749 D CB 0.769 41.652 40.800 0.139 0.000 1.149 749 D HN 0.338 nan 8.370 nan 0.000 0.488 750 P HA -0.134 nan 4.420 nan 0.000 0.226 750 P C 0.414 177.580 177.300 -0.224 0.000 1.146 750 P CA 0.656 63.717 63.100 -0.065 0.000 0.773 750 P CB 0.094 31.737 31.700 -0.095 0.000 0.772 751 A N -0.837 121.961 122.820 -0.037 0.000 2.411 751 A HA 0.355 4.684 4.320 0.016 0.000 0.251 751 A C 1.657 179.301 177.584 0.100 0.000 1.317 751 A CA 0.739 52.756 52.037 -0.034 0.000 0.904 751 A CB -0.904 18.104 19.000 0.012 0.000 0.993 751 A HN 0.271 nan 8.150 nan 0.000 0.504 752 E N -1.116 119.206 120.200 0.203 0.000 2.641 752 E HA 0.449 4.808 4.350 0.016 0.000 0.224 752 E C -0.003 176.958 176.600 0.602 0.000 0.951 752 E CA 0.386 57.031 56.400 0.408 0.000 1.102 752 E CB -0.198 29.732 29.700 0.383 0.000 1.091 752 E HN 0.992 nan 8.360 nan 0.000 0.507 753 Y N -2.627 117.761 120.300 0.148 0.000 2.689 753 Y HA 0.876 5.435 4.550 0.015 0.000 0.333 753 Y C -0.939 174.808 175.900 -0.255 0.000 1.190 753 Y CA -2.346 55.776 58.100 0.037 0.000 1.063 753 Y CB 1.056 39.453 38.460 -0.104 0.000 1.294 753 Y HN -0.161 nan 8.280 nan 0.000 0.466 754 R N 2.197 122.568 120.500 -0.215 0.000 2.548 754 R HA 0.364 4.713 4.340 0.016 0.000 0.280 754 R C -1.329 174.890 176.300 -0.134 0.000 1.061 754 R CA -0.867 54.983 56.100 -0.416 0.000 0.915 754 R CB 2.062 31.916 30.300 -0.743 0.000 1.210 754 R HN 1.028 nan 8.270 nan 0.000 0.442 755 L N 0.204 121.345 121.223 -0.136 0.000 2.565 755 L HA 0.477 4.827 4.340 0.016 0.000 0.275 755 L C 0.531 177.441 176.870 0.067 0.000 1.137 755 L CA -0.199 54.666 54.840 0.041 0.000 0.915 755 L CB 0.138 42.199 42.059 0.002 0.000 1.232 755 L HN 0.531 nan 8.230 nan 0.000 0.473 756 G N 1.913 110.818 108.800 0.176 0.000 2.348 756 G HA2 0.349 4.318 3.960 0.016 0.000 0.312 756 G HA3 0.349 4.318 3.960 0.016 0.000 0.312 756 G C 1.026 176.079 174.900 0.255 0.000 1.126 756 G CA 0.122 45.340 45.100 0.197 0.000 0.865 756 G HN 0.825 nan 8.290 nan 0.000 0.474 757 T N -0.562 114.099 114.554 0.178 0.000 2.760 757 T HA -0.182 4.177 4.350 0.016 0.000 0.269 757 T C 1.720 176.572 174.700 0.254 0.000 1.047 757 T CA 2.369 64.574 62.100 0.176 0.000 1.139 757 T CB -0.155 68.774 68.868 0.102 0.000 0.855 757 T HN 0.350 nan 8.240 nan 0.000 0.471 758 T N 0.754 115.435 114.554 0.211 0.000 2.975 758 T HA 0.276 4.635 4.350 0.016 0.000 0.261 758 T C 0.076 174.764 174.700 -0.020 0.000 0.984 758 T CA -0.292 61.913 62.100 0.174 0.000 0.911 758 T CB 0.330 69.260 68.868 0.104 0.000 1.127 758 T HN 0.772 nan 8.240 nan 0.000 0.514 759 K N -0.059 120.203 120.400 -0.228 0.000 2.575 759 K HA 0.705 5.035 4.320 0.016 0.000 0.279 759 K C -1.634 174.575 176.600 -0.651 0.000 0.969 759 K CA -0.897 55.006 56.287 -0.641 0.000 0.868 759 K CB 1.944 34.205 32.500 -0.399 0.000 1.457 759 K HN -0.107 nan 8.250 nan 0.000 0.426 760 V N 2.089 121.509 119.914 -0.823 0.000 2.617 760 V HA 0.600 4.730 4.120 0.016 0.000 0.298 760 V C -1.482 174.321 176.094 -0.485 0.000 1.048 760 V CA -0.444 61.542 62.300 -0.523 0.000 0.964 760 V CB 0.603 32.017 31.823 -0.680 0.000 1.004 760 V HN 0.635 nan 8.190 nan 0.000 0.466 761 F N 5.816 125.498 119.950 -0.446 0.000 2.508 761 F HA 0.726 5.261 4.527 0.015 0.000 0.325 761 F C -0.391 175.232 175.800 -0.295 0.000 1.090 761 F CA -0.658 57.219 58.000 -0.205 0.000 0.945 761 F CB 1.771 40.863 39.000 0.154 0.000 1.156 761 F HN 0.338 nan 8.300 nan 0.000 0.463 762 F N 0.890 121.071 119.950 0.384 0.000 2.577 762 F HA 0.489 5.025 4.527 0.015 0.000 0.318 762 F C 0.078 175.980 175.800 0.169 0.000 1.065 762 F CA -1.315 56.881 58.000 0.328 0.000 0.929 762 F CB 1.632 40.734 39.000 0.170 0.000 1.237 762 F HN 0.211 nan 8.300 nan 0.000 0.468 763 K N 1.329 121.951 120.400 0.369 0.000 2.295 763 K HA 0.497 4.826 4.320 0.016 0.000 0.270 763 K C 0.012 176.677 176.600 0.108 0.000 1.011 763 K CA -0.409 55.925 56.287 0.078 0.000 0.953 763 K CB 0.771 33.374 32.500 0.173 0.000 0.956 763 K HN 0.796 nan 8.250 nan 0.000 0.477 764 A N 1.735 124.577 122.820 0.037 0.000 2.603 764 A HA 0.187 4.516 4.320 0.016 0.000 0.235 764 A C 1.318 178.935 177.584 0.054 0.000 1.035 764 A CA 1.213 53.280 52.037 0.050 0.000 0.755 764 A CB -0.752 18.267 19.000 0.031 0.000 0.954 764 A HN 0.986 nan 8.150 nan 0.000 0.511 765 G N 0.895 109.719 108.800 0.040 0.000 2.336 765 G HA2 -0.293 3.676 3.960 0.016 0.000 0.233 765 G HA3 -0.293 3.676 3.960 0.016 0.000 0.233 765 G C 1.108 176.011 174.900 0.005 0.000 1.053 765 G CA 0.746 45.859 45.100 0.022 0.000 0.625 765 G HN 1.389 nan 8.290 nan 0.000 0.511 766 V N 1.266 121.196 119.914 0.028 0.000 2.255 766 V HA -0.160 3.969 4.120 0.016 0.000 0.247 766 V C 2.703 178.678 176.094 -0.197 0.000 1.051 766 V CA 2.496 64.777 62.300 -0.031 0.000 1.018 766 V CB -0.694 31.180 31.823 0.086 0.000 0.641 766 V HN 0.454 nan 8.190 nan 0.000 0.445 767 L N 1.162 122.245 121.223 -0.233 0.000 2.127 767 L HA -0.102 4.248 4.340 0.016 0.000 0.211 767 L C 2.287 179.067 176.870 -0.151 0.000 1.089 767 L CA 2.261 56.918 54.840 -0.305 0.000 0.757 767 L CB -1.121 40.861 42.059 -0.127 0.000 0.899 767 L HN 0.318 nan 8.230 nan 0.000 0.434 768 G N -1.173 107.580 108.800 -0.078 0.000 2.402 768 G HA2 -0.286 3.683 3.960 0.016 0.000 0.216 768 G HA3 -0.286 3.683 3.960 0.016 0.000 0.216 768 G C 1.403 176.269 174.900 -0.057 0.000 1.162 768 G CA 0.924 45.999 45.100 -0.041 0.000 0.777 768 G HN 0.565 nan 8.290 nan 0.000 0.539 769 N N 0.090 118.742 118.700 -0.080 0.000 2.166 769 N HA -0.005 4.744 4.740 0.016 0.000 0.186 769 N C 2.184 177.622 175.510 -0.120 0.000 1.019 769 N CA 0.513 53.516 53.050 -0.079 0.000 0.856 769 N CB -0.148 38.299 38.487 -0.067 0.000 0.993 769 N HN 0.228 nan 8.380 nan 0.000 0.426 770 L N 1.156 122.243 121.223 -0.227 0.000 2.046 770 L HA -0.117 4.233 4.340 0.016 0.000 0.208 770 L C 2.313 179.090 176.870 -0.154 0.000 1.077 770 L CA 0.939 55.572 54.840 -0.345 0.000 0.747 770 L CB -0.347 41.236 42.059 -0.792 0.000 0.896 770 L HN 0.170 nan 8.230 nan 0.000 0.432 771 E N 0.094 120.273 120.200 -0.034 0.000 2.160 771 E HA -0.203 4.156 4.350 0.016 0.000 0.195 771 E C 2.095 178.724 176.600 0.048 0.000 0.991 771 E CA 0.965 57.430 56.400 0.108 0.000 0.810 771 E CB 0.019 29.769 29.700 0.083 0.000 0.742 771 E HN 0.445 nan 8.360 nan 0.000 0.466 772 E N -0.079 120.122 120.200 0.002 0.000 2.051 772 E HA -0.029 4.330 4.350 0.016 0.000 0.189 772 E C 2.181 178.780 176.600 -0.001 0.000 0.979 772 E CA 0.521 56.921 56.400 -0.001 0.000 0.803 772 E CB -0.221 29.471 29.700 -0.013 0.000 0.761 772 E HN 0.328 nan 8.360 nan 0.000 0.451 773 M N 0.197 119.787 119.600 -0.016 0.000 2.159 773 M HA -0.149 4.340 4.480 0.016 0.000 0.263 773 M C 2.437 178.742 176.300 0.009 0.000 1.063 773 M CA 1.212 56.504 55.300 -0.013 0.000 1.110 773 M CB -0.276 32.301 32.600 -0.038 0.000 1.374 773 M HN -0.030 nan 8.290 nan 0.000 0.411 774 R N 0.671 121.194 120.500 0.038 0.000 2.083 774 R HA -0.179 4.171 4.340 0.016 0.000 0.237 774 R C 1.616 177.933 176.300 0.029 0.000 1.137 774 R CA 1.872 58.012 56.100 0.067 0.000 0.951 774 R CB -0.163 30.227 30.300 0.150 0.000 0.851 774 R HN 0.300 nan 8.270 nan 0.000 0.434 775 D N 0.352 120.766 120.400 0.023 0.000 2.104 775 D HA -0.165 4.484 4.640 0.016 0.000 0.194 775 D C 1.777 178.081 176.300 0.007 0.000 0.994 775 D CA 1.457 55.463 54.000 0.010 0.000 0.830 775 D CB -0.126 40.679 40.800 0.008 0.000 0.959 775 D HN 0.415 nan 8.370 nan 0.000 0.452 776 E N 0.098 120.303 120.200 0.008 0.000 2.077 776 E HA -0.178 4.182 4.350 0.016 0.000 0.193 776 E C 2.182 178.787 176.600 0.008 0.000 0.989 776 E CA 0.731 57.135 56.400 0.007 0.000 0.800 776 E CB 0.110 29.813 29.700 0.005 0.000 0.746 776 E HN -0.048 nan 8.360 nan 0.000 0.452 777 R N 0.912 121.417 120.500 0.009 0.000 2.070 777 R HA -0.122 4.228 4.340 0.016 0.000 0.233 777 R C 2.230 178.534 176.300 0.006 0.000 1.137 777 R CA 0.971 57.076 56.100 0.009 0.000 0.945 777 R CB -0.810 29.496 30.300 0.010 0.000 0.845 777 R HN 0.165 nan 8.270 nan 0.000 0.430 778 L N 0.069 121.292 121.223 0.001 0.000 2.042 778 L HA -0.109 4.241 4.340 0.016 0.000 0.210 778 L C 2.198 179.069 176.870 0.001 0.000 1.076 778 L CA 2.272 57.108 54.840 -0.007 0.000 0.749 778 L CB -1.084 40.966 42.059 -0.016 0.000 0.893 778 L HN 0.259 nan 8.230 nan 0.000 0.432 779 S N -0.923 114.781 115.700 0.006 0.000 2.368 779 S HA -0.248 4.231 4.470 0.016 0.000 0.224 779 S C 2.185 176.798 174.600 0.022 0.000 1.029 779 S CA 1.644 59.852 58.200 0.012 0.000 0.988 779 S CB -0.304 62.902 63.200 0.010 0.000 0.838 779 S HN 0.560 nan 8.310 nan 0.000 0.462 780 K N 0.388 120.800 120.400 0.021 0.000 2.057 780 K HA 0.028 4.357 4.320 0.016 0.000 0.206 780 K C 2.022 178.647 176.600 0.042 0.000 1.050 780 K CA 1.400 57.704 56.287 0.028 0.000 0.935 780 K CB -0.254 32.259 32.500 0.022 0.000 0.715 780 K HN 0.427 nan 8.250 nan 0.000 0.439 781 I N 1.058 121.650 120.570 0.036 0.000 2.226 781 I HA -0.292 3.887 4.170 0.016 0.000 0.245 781 I C 2.181 178.345 176.117 0.079 0.000 1.100 781 I CA 1.181 62.509 61.300 0.048 0.000 1.374 781 I CB -0.217 37.793 38.000 0.016 0.000 1.057 781 I HN 0.186 nan 8.210 nan 0.000 0.413 782 I N 0.032 120.638 120.570 0.059 0.000 2.208 782 I HA -0.291 3.888 4.170 0.016 0.000 0.245 782 I C 2.617 178.818 176.117 0.139 0.000 1.097 782 I CA 1.255 62.610 61.300 0.093 0.000 1.363 782 I CB -0.327 37.705 38.000 0.053 0.000 1.051 782 I HN 0.147 nan 8.210 nan 0.000 0.413 783 S N 0.364 116.119 115.700 0.091 0.000 2.368 783 S HA -0.114 4.365 4.470 0.016 0.000 0.224 783 S C 2.021 176.676 174.600 0.092 0.000 1.029 783 S CA 1.300 59.546 58.200 0.077 0.000 0.988 783 S CB -0.157 63.072 63.200 0.047 0.000 0.838 783 S HN 0.348 nan 8.310 nan 0.000 0.462 784 M N -0.323 119.343 119.600 0.109 0.000 2.213 784 M HA -0.075 4.415 4.480 0.016 0.000 0.263 784 M C 1.905 178.323 176.300 0.197 0.000 1.062 784 M CA 1.318 56.690 55.300 0.120 0.000 1.105 784 M CB -0.407 32.263 32.600 0.117 0.000 1.385 784 M HN 0.311 nan 8.290 nan 0.000 0.417 785 F N 1.466 121.454 119.950 0.064 0.000 2.146 785 F HA -0.178 4.358 4.527 0.016 0.000 0.298 785 F C 2.334 178.177 175.800 0.072 0.000 1.096 785 F CA 1.637 59.680 58.000 0.072 0.000 1.275 785 F CB -0.325 38.685 39.000 0.018 0.000 1.008 785 F HN 0.121 nan 8.300 nan 0.000 0.480 786 Q N -0.138 119.707 119.800 0.075 0.000 2.124 786 Q HA -0.147 4.202 4.340 0.016 0.000 0.202 786 Q C 2.428 178.398 176.000 -0.050 0.000 0.977 786 Q CA 1.477 57.261 55.803 -0.032 0.000 0.850 786 Q CB -0.478 28.279 28.738 0.031 0.000 0.901 786 Q HN 0.498 nan 8.270 nan 0.000 0.429 787 A N 0.109 122.928 122.820 -0.001 0.000 1.930 787 A HA -0.233 4.096 4.320 0.016 0.000 0.217 787 A C 1.661 179.230 177.584 -0.026 0.000 1.175 787 A CA 1.658 53.688 52.037 -0.012 0.000 0.627 787 A CB -0.703 18.296 19.000 -0.003 0.000 0.815 787 A HN 0.445 nan 8.150 nan 0.000 0.443 788 H N -0.774 118.231 119.070 -0.108 0.000 2.389 788 H HA 0.032 4.597 4.556 0.016 0.000 0.299 788 H C 1.864 177.089 175.328 -0.172 0.000 1.081 788 H CA 1.531 57.505 56.048 -0.125 0.000 1.345 788 H CB -0.049 29.627 29.762 -0.144 0.000 1.393 788 H HN 0.460 nan 8.280 nan 0.000 0.520 789 I N 0.028 120.514 120.570 -0.139 0.000 2.353 789 I HA -0.218 3.961 4.170 0.016 0.000 0.248 789 I C 2.252 178.343 176.117 -0.043 0.000 1.119 789 I CA 1.006 62.192 61.300 -0.190 0.000 1.417 789 I CB -0.180 37.628 38.000 -0.320 0.000 1.078 789 I HN 0.266 nan 8.210 nan 0.000 0.421 790 R N 0.603 121.082 120.500 -0.034 0.000 2.115 790 R HA -0.087 4.262 4.340 0.016 0.000 0.230 790 R C 2.354 178.668 176.300 0.022 0.000 1.111 790 R CA 1.327 57.425 56.100 -0.004 0.000 0.976 790 R CB -0.569 29.722 30.300 -0.015 0.000 0.870 790 R HN 0.417 nan 8.270 nan 0.000 0.445 791 G N -0.101 108.710 108.800 0.018 0.000 2.443 791 G HA2 -0.293 3.676 3.960 0.016 0.000 0.219 791 G HA3 -0.293 3.676 3.960 0.016 0.000 0.219 791 G C 1.158 176.102 174.900 0.075 0.000 1.131 791 G CA 0.266 45.371 45.100 0.008 0.000 0.775 791 G HN 0.307 nan 8.290 nan 0.000 0.547 792 Y N 1.130 121.424 120.300 -0.011 0.000 2.153 792 Y HA 0.081 4.641 4.550 0.016 0.000 0.289 792 Y C 2.566 178.462 175.900 -0.008 0.000 1.127 792 Y CA 1.040 59.140 58.100 0.000 0.000 1.131 792 Y CB -0.302 38.155 38.460 -0.005 0.000 0.995 792 Y HN 0.081 nan 8.280 nan 0.000 0.505 793 L N -0.340 121.074 121.223 0.318 0.000 2.042 793 L HA -0.270 4.080 4.340 0.016 0.000 0.210 793 L C 2.275 179.201 176.870 0.092 0.000 1.076 793 L CA 1.100 56.059 54.840 0.199 0.000 0.749 793 L CB -0.664 41.462 42.059 0.112 0.000 0.893 793 L HN 0.277 nan 8.230 nan 0.000 0.432 794 I N -0.265 120.340 120.570 0.058 0.000 2.439 794 I HA -0.189 3.990 4.170 0.016 0.000 0.251 794 I C 2.515 178.647 176.117 0.025 0.000 1.139 794 I CA 1.345 62.666 61.300 0.035 0.000 1.438 794 I CB -0.935 37.073 38.000 0.012 0.000 1.085 794 I HN 0.292 nan 8.210 nan 0.000 0.427 795 R N 0.531 121.020 120.500 -0.019 0.000 2.276 795 R HA -0.125 4.225 4.340 0.016 0.000 0.203 795 R C 2.052 178.332 176.300 -0.034 0.000 1.017 795 R CA 0.457 56.523 56.100 -0.056 0.000 1.010 795 R CB 0.023 30.250 30.300 -0.120 0.000 0.900 795 R HN 0.124 nan 8.270 nan 0.000 0.469 796 K N 0.921 121.291 120.400 -0.050 0.000 2.137 796 K HA 0.057 4.386 4.320 0.016 0.000 0.202 796 K C 1.596 178.208 176.600 0.020 0.000 1.052 796 K CA 1.306 57.561 56.287 -0.053 0.000 0.961 796 K CB 0.041 32.522 32.500 -0.033 0.000 0.741 796 K HN 0.056 nan 8.250 nan 0.000 0.452 797 A N -0.579 122.272 122.820 0.050 0.000 2.169 797 A HA 0.002 4.332 4.320 0.016 0.000 0.212 797 A C 1.812 179.445 177.584 0.082 0.000 1.153 797 A CA 0.434 52.504 52.037 0.054 0.000 0.756 797 A CB -0.754 18.277 19.000 0.051 0.000 0.813 797 A HN 0.443 nan 8.150 nan 0.000 0.471 798 Y N 1.991 122.272 120.300 -0.031 0.000 2.081 798 Y HA -0.355 4.205 4.550 0.016 0.000 0.280 798 Y C 2.450 178.334 175.900 -0.027 0.000 1.163 798 Y CA 2.511 60.594 58.100 -0.029 0.000 1.135 798 Y CB -0.274 38.164 38.460 -0.036 0.000 0.970 798 Y HN 0.460 nan 8.280 nan 0.000 0.498 799 K N 0.614 120.960 120.400 -0.089 0.000 2.032 799 K HA -0.299 4.031 4.320 0.016 0.000 0.209 799 K C 2.278 178.784 176.600 -0.158 0.000 1.048 799 K CA 2.235 58.416 56.287 -0.177 0.000 0.927 799 K CB -0.624 31.839 32.500 -0.061 0.000 0.712 799 K HN 0.357 nan 8.250 nan 0.000 0.441 800 K N 0.473 120.821 120.400 -0.086 0.000 2.097 800 K HA -0.136 4.194 4.320 0.016 0.000 0.206 800 K C 2.249 178.799 176.600 -0.083 0.000 1.049 800 K CA 1.059 57.306 56.287 -0.067 0.000 0.933 800 K CB -0.089 32.391 32.500 -0.033 0.000 0.717 800 K HN 0.179 nan 8.250 nan 0.000 0.442 801 L N 1.421 122.586 121.223 -0.098 0.000 2.131 801 L HA -0.169 4.181 4.340 0.016 0.000 0.210 801 L C 2.251 179.034 176.870 -0.144 0.000 1.092 801 L CA 1.611 56.395 54.840 -0.093 0.000 0.759 801 L CB -0.161 41.863 42.059 -0.057 0.000 0.903 801 L HN 0.259 nan 8.230 nan 0.000 0.435 802 Q N -1.146 118.509 119.800 -0.242 0.000 2.137 802 Q HA -0.146 4.203 4.340 0.016 0.000 0.198 802 Q C 1.673 177.587 176.000 -0.144 0.000 0.960 802 Q CA 1.293 56.955 55.803 -0.235 0.000 0.847 802 Q CB -0.015 28.510 28.738 -0.355 0.000 0.915 802 Q HN 0.511 nan 8.270 nan 0.000 0.448 803 D N 1.068 121.392 120.400 -0.126 0.000 2.084 803 D HA -0.170 4.480 4.640 0.016 0.000 0.194 803 D C 1.855 178.114 176.300 -0.067 0.000 0.990 803 D CA 1.232 55.182 54.000 -0.084 0.000 0.826 803 D CB -0.197 40.561 40.800 -0.070 0.000 0.971 803 D HN 0.267 nan 8.370 nan 0.000 0.453 804 Q N 0.132 119.893 119.800 -0.064 0.000 2.226 804 Q HA -0.135 4.214 4.340 0.016 0.000 0.204 804 Q C 2.201 178.173 176.000 -0.046 0.000 0.975 804 Q CA 0.781 56.555 55.803 -0.048 0.000 0.866 804 Q CB -0.062 28.652 28.738 -0.041 0.000 0.915 804 Q HN 0.230 nan 8.270 nan 0.000 0.440 805 R N 1.012 121.478 120.500 -0.056 0.000 2.096 805 R HA -0.139 4.211 4.340 0.016 0.000 0.235 805 R C 1.967 178.242 176.300 -0.041 0.000 1.127 805 R CA 1.187 57.260 56.100 -0.046 0.000 0.968 805 R CB -0.141 30.127 30.300 -0.052 0.000 0.861 805 R HN 0.239 nan 8.270 nan 0.000 0.440 806 I N 0.366 120.907 120.570 -0.047 0.000 2.252 806 I HA -0.132 4.048 4.170 0.016 0.000 0.245 806 I C 2.486 178.581 176.117 -0.037 0.000 1.102 806 I CA 1.270 62.545 61.300 -0.041 0.000 1.385 806 I CB -0.682 37.291 38.000 -0.045 0.000 1.064 806 I HN 0.424 nan 8.210 nan 0.000 0.414 807 G N 1.365 110.142 108.800 -0.038 0.000 2.480 807 G HA2 -0.297 3.673 3.960 0.016 0.000 0.216 807 G HA3 -0.297 3.673 3.960 0.016 0.000 0.216 807 G C 1.632 176.513 174.900 -0.031 0.000 1.200 807 G CA 0.772 45.851 45.100 -0.035 0.000 0.782 807 G HN 0.246 nan 8.290 nan 0.000 0.554 808 L N 1.027 122.233 121.223 -0.028 0.000 2.079 808 L HA -0.044 4.305 4.340 0.016 0.000 0.210 808 L C 2.950 179.807 176.870 -0.021 0.000 1.081 808 L CA 2.293 57.119 54.840 -0.023 0.000 0.752 808 L CB -0.572 41.475 42.059 -0.020 0.000 0.896 808 L HN 0.188 nan 8.230 nan 0.000 0.433 809 S N -1.538 114.147 115.700 -0.023 0.000 2.382 809 S HA -0.141 4.338 4.470 0.016 0.000 0.228 809 S C 1.939 176.526 174.600 -0.023 0.000 1.027 809 S CA 1.295 59.483 58.200 -0.022 0.000 0.991 809 S CB -0.268 62.917 63.200 -0.023 0.000 0.823 809 S HN 0.338 nan 8.310 nan 0.000 0.469 810 V N 1.635 121.533 119.914 -0.027 0.000 2.358 810 V HA -0.130 4.000 4.120 0.016 0.000 0.246 810 V C 1.962 178.038 176.094 -0.029 0.000 1.047 810 V CA 1.451 63.733 62.300 -0.029 0.000 1.035 810 V CB -0.507 31.296 31.823 -0.034 0.000 0.658 810 V HN 0.433 nan 8.190 nan 0.000 0.452 811 I N -0.544 120.008 120.570 -0.029 0.000 2.202 811 I HA -0.259 3.921 4.170 0.016 0.000 0.242 811 I C 2.658 178.767 176.117 -0.015 0.000 1.091 811 I CA 1.486 62.769 61.300 -0.029 0.000 1.368 811 I CB -0.379 37.603 38.000 -0.030 0.000 1.058 811 I HN 0.324 nan 8.210 nan 0.000 0.410 812 Q N 0.197 119.992 119.800 -0.008 0.000 2.084 812 Q HA -0.252 4.097 4.340 0.016 0.000 0.202 812 Q C 2.339 178.342 176.000 0.006 0.000 0.978 812 Q CA 1.505 57.310 55.803 0.003 0.000 0.844 812 Q CB -0.290 28.448 28.738 -0.000 0.000 0.898 812 Q HN 0.406 nan 8.270 nan 0.000 0.426 813 R N 1.030 121.526 120.500 -0.005 0.000 2.080 813 R HA -0.154 4.195 4.340 0.016 0.000 0.236 813 R C 1.455 177.754 176.300 -0.002 0.000 1.137 813 R CA 1.977 58.072 56.100 -0.008 0.000 0.943 813 R CB -0.071 30.218 30.300 -0.018 0.000 0.846 813 R HN 0.240 nan 8.270 nan 0.000 0.431 814 N N -0.231 118.465 118.700 -0.007 0.000 2.512 814 N HA -0.017 4.732 4.740 0.016 0.000 0.183 814 N C 1.395 176.932 175.510 0.045 0.000 1.073 814 N CA 0.800 53.849 53.050 -0.002 0.000 0.911 814 N CB 0.153 38.620 38.487 -0.033 0.000 0.964 814 N HN 0.306 nan 8.380 nan 0.000 0.447 815 I N 0.157 120.764 120.570 0.062 0.000 2.585 815 I HA -0.066 4.113 4.170 0.016 0.000 0.254 815 I C 2.019 178.254 176.117 0.196 0.000 1.129 815 I CA 0.485 61.883 61.300 0.162 0.000 1.455 815 I CB 0.005 38.079 38.000 0.123 0.000 1.111 815 I HN 0.096 nan 8.210 nan 0.000 0.433 816 R N 0.854 121.409 120.500 0.092 0.000 2.081 816 R HA -0.132 4.218 4.340 0.016 0.000 0.235 816 R C 2.258 178.574 176.300 0.027 0.000 1.131 816 R CA 0.996 57.125 56.100 0.049 0.000 0.960 816 R CB -0.196 30.114 30.300 0.016 0.000 0.856 816 R HN 0.223 nan 8.270 nan 0.000 0.436 817 K N 0.073 120.489 120.400 0.026 0.000 2.026 817 K HA -0.193 4.137 4.320 0.016 0.000 0.208 817 K C 1.702 178.301 176.600 -0.002 0.000 1.048 817 K CA 1.119 57.395 56.287 -0.019 0.000 0.929 817 K CB -0.519 31.961 32.500 -0.033 0.000 0.713 817 K HN 0.303 nan 8.250 nan 0.000 0.439 818 W N 1.964 123.187 121.300 -0.128 0.000 2.350 818 W HA -0.136 4.533 4.660 0.016 0.000 0.289 818 W C 1.659 178.115 176.519 -0.106 0.000 1.215 818 W CA 1.133 58.393 57.345 -0.142 0.000 1.236 818 W CB -0.292 29.110 29.460 -0.098 0.000 1.130 818 W HN -0.030 nan 8.180 nan 0.000 0.541 819 L N -0.597 120.565 121.223 -0.102 0.000 2.068 819 L HA -0.145 4.204 4.340 0.016 0.000 0.204 819 L C 2.491 179.243 176.870 -0.196 0.000 1.076 819 L CA 1.245 55.929 54.840 -0.259 0.000 0.753 819 L CB -1.196 40.808 42.059 -0.091 0.000 0.910 819 L HN -0.067 nan 8.230 nan 0.000 0.439 820 V N 0.112 119.954 119.914 -0.120 0.000 2.515 820 V HA -0.235 3.895 4.120 0.016 0.000 0.250 820 V C 2.302 178.340 176.094 -0.094 0.000 1.058 820 V CA 1.671 63.916 62.300 -0.092 0.000 1.064 820 V CB 0.003 31.772 31.823 -0.090 0.000 0.675 820 V HN 0.413 nan 8.190 nan 0.000 0.461 821 L N 0.635 121.757 121.223 -0.168 0.000 2.093 821 L HA -0.029 4.320 4.340 0.016 0.000 0.208 821 L C 2.533 179.373 176.870 -0.049 0.000 1.085 821 L CA 1.863 56.599 54.840 -0.174 0.000 0.755 821 L CB -0.841 40.980 42.059 -0.398 0.000 0.904 821 L HN 0.208 nan 8.230 nan 0.000 0.435 822 R N -0.545 119.846 120.500 -0.183 0.000 2.237 822 R HA -0.086 4.264 4.340 0.016 0.000 0.219 822 R C 1.142 177.491 176.300 0.081 0.000 1.080 822 R CA 1.040 57.102 56.100 -0.063 0.000 0.995 822 R CB -0.285 29.814 30.300 -0.336 0.000 0.875 822 R HN 0.436 nan 8.270 nan 0.000 0.462 823 N N -0.669 118.074 118.700 0.072 0.000 2.230 823 N HA -0.052 4.697 4.740 0.016 0.000 0.202 823 N C -1.019 174.626 175.510 0.225 0.000 1.119 823 N CA -0.242 52.871 53.050 0.104 0.000 0.851 823 N CB 0.260 38.772 38.487 0.042 0.000 0.990 823 N HN 0.097 nan 8.380 nan 0.000 0.497 824 W N 2.262 123.614 121.300 0.086 0.000 2.388 824 W HA 0.240 4.910 4.660 0.016 0.000 0.308 824 W C 1.038 177.652 176.519 0.158 0.000 1.263 824 W CA -0.498 56.928 57.345 0.136 0.000 1.286 824 W CB 0.609 30.181 29.460 0.187 0.000 1.294 824 W HN 0.063 nan 8.180 nan 0.000 0.493 825 Q N 3.503 123.299 119.800 -0.006 0.000 2.118 825 Q HA -0.295 4.055 4.340 0.016 0.000 0.211 825 Q C 1.870 177.614 176.000 -0.427 0.000 0.998 825 Q CA 2.548 58.200 55.803 -0.253 0.000 0.872 825 Q CB -0.815 27.699 28.738 -0.373 0.000 0.925 825 Q HN 0.852 nan 8.270 nan 0.000 0.414 826 W N -0.470 120.370 121.300 -0.767 0.000 2.358 826 W HA -0.188 4.481 4.660 0.016 0.000 0.303 826 W C 2.295 178.554 176.519 -0.433 0.000 1.208 826 W CA 0.512 57.368 57.345 -0.816 0.000 1.274 826 W CB -0.586 27.928 29.460 -1.577 0.000 1.138 826 W HN 0.349 nan 8.180 nan 0.000 0.515 827 W N 1.477 122.702 121.300 -0.125 0.000 2.425 827 W HA -0.155 4.514 4.660 0.016 0.000 0.277 827 W C 1.529 178.149 176.519 0.169 0.000 1.231 827 W CA 1.329 58.792 57.345 0.196 0.000 1.248 827 W CB -0.214 29.492 29.460 0.411 0.000 1.117 827 W HN -0.056 nan 8.180 nan 0.000 0.568 828 K N 0.136 120.589 120.400 0.089 0.000 2.031 828 K HA -0.200 4.130 4.320 0.016 0.000 0.205 828 K C 2.017 178.560 176.600 -0.095 0.000 1.049 828 K CA 1.439 57.725 56.287 -0.002 0.000 0.939 828 K CB -0.770 31.736 32.500 0.009 0.000 0.717 828 K HN 0.010 nan 8.250 nan 0.000 0.438 829 L N 0.269 121.421 121.223 -0.118 0.000 2.046 829 L HA -0.195 4.155 4.340 0.016 0.000 0.208 829 L C 2.060 178.864 176.870 -0.110 0.000 1.077 829 L CA 1.693 56.458 54.840 -0.126 0.000 0.747 829 L CB -0.664 41.297 42.059 -0.164 0.000 0.896 829 L HN 0.224 nan 8.230 nan 0.000 0.432 830 Y N -0.196 119.966 120.300 -0.229 0.000 2.128 830 Y HA -0.292 4.268 4.550 0.016 0.000 0.284 830 Y C 2.649 178.322 175.900 -0.379 0.000 1.154 830 Y CA 2.122 60.038 58.100 -0.307 0.000 1.149 830 Y CB -0.411 37.784 38.460 -0.441 0.000 0.976 830 Y HN 0.256 nan 8.280 nan 0.000 0.505 831 S N 0.078 115.559 115.700 -0.366 0.000 2.400 831 S HA -0.195 4.284 4.470 0.016 0.000 0.232 831 S C 1.772 176.233 174.600 -0.232 0.000 1.025 831 S CA 1.597 59.610 58.200 -0.312 0.000 0.993 831 S CB -0.252 62.838 63.200 -0.183 0.000 0.808 831 S HN 0.461 nan 8.310 nan 0.000 0.478 832 K N 0.382 120.663 120.400 -0.198 0.000 2.288 832 K HA 0.063 4.393 4.320 0.016 0.000 0.201 832 K C 1.676 178.170 176.600 -0.177 0.000 1.048 832 K CA 0.732 56.929 56.287 -0.150 0.000 0.956 832 K CB 0.008 32.438 32.500 -0.116 0.000 0.746 832 K HN 0.202 nan 8.250 nan 0.000 0.461 833 V N 1.194 120.954 119.914 -0.256 0.000 2.992 833 V HA -0.114 4.016 4.120 0.016 0.000 0.250 833 V C 2.534 178.451 176.094 -0.296 0.000 1.090 833 V CA 1.770 63.918 62.300 -0.253 0.000 1.101 833 V CB 0.014 31.684 31.823 -0.254 0.000 0.743 833 V HN 0.311 nan 8.190 nan 0.000 0.468 834 K N 1.555 121.698 120.400 -0.429 0.000 2.113 834 K HA -0.167 4.162 4.320 0.016 0.000 0.208 834 K C 0.477 176.969 176.600 -0.180 0.000 1.047 834 K CA 2.068 58.142 56.287 -0.356 0.000 0.928 834 K CB -2.527 29.741 32.500 -0.385 0.000 0.716 834 K HN 0.688 nan 8.250 nan 0.000 0.446 835 P HA -0.028 nan 4.420 nan 0.000 0.234 835 P C 0.581 177.837 177.300 -0.074 0.000 1.167 835 P CA 0.642 63.691 63.100 -0.084 0.000 0.763 835 P CB 0.049 31.707 31.700 -0.071 0.000 0.835 836 L N -1.464 119.703 121.223 -0.092 0.000 2.728 836 L HA 0.283 4.633 4.340 0.016 0.000 0.238 836 L C 1.273 178.106 176.870 -0.062 0.000 1.143 836 L CA -0.161 54.636 54.840 -0.071 0.000 0.937 836 L CB 0.025 42.038 42.059 -0.075 0.000 1.225 836 L HN -0.126 nan 8.230 nan 0.000 0.507 837 L N 0.000 121.183 121.223 -0.066 0.000 2.949 837 L HA 0.000 4.349 4.340 0.016 0.000 0.249 837 L CA 0.000 54.810 54.840 -0.049 0.000 0.813 837 L CB 0.000 42.025 42.059 -0.057 0.000 0.961 837 L HN 0.000 nan 8.230 nan 0.000 0.502