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 1zty_1_A DATA FIRST_RESID 1 DATA SEQUENCE RSELTIVPDF YPTMVRNFNP YLATNLRTTT DFIYEPLVVF NEMKGNTPVF DATA SEQUENCE RLAESYKMAD DLMSVTFDIR KGVKWSDGEA FTADDVVYSF GLLKAKPELD DATA SEQUENCE QRGINKWVTS VEKVDEYKVR FRLSEANSNV PYEISLIPIV AEHVWKDVKD DATA SEQUENCE PTTFTNENPV GTGPFTVIDT FTPQLYIQcR NPNYWDAANL EVDcLRVPQI DATA SEQUENCE ANNDQLLGKI VNSELDWTSS FVPDIDRTYA AANPNHHYWY PAAGTQAFMV DATA SEQUENCE NFKNPDPAKK EALDNVDFRR AFSMALDRQT IIDIAFYGSG TVNDFASGLG DATA SEQUENCE YAFEAWSDEA THKKYKGFNT YDVEGSKKLL AKAGFKDVNG DGFVETPSGK DATA SEQUENCE SFELLIQSPN GWTDFNNTVQ LAVEQLQEVG IKAKARTPEF AVYNQAMLEG DATA SEQUENCE TYDVAYTNYF HGADPFTYWN SGYNSALQSG DGMPRFAMHY FTDKKLDGLL DATA SEQUENCE DSFYKTADKN EQLAIAHGIQ KIIAENQVTI PVMSGAWMYQ YNTTRFTGWW DATA SEQUENCE SEENPKGRPS VWAGIPERLL HVLDLKPV 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 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.331 176.300 0.051 0.000 0.893 1 R CA 0.000 56.124 56.100 0.039 0.000 0.921 1 R CB 0.000 30.322 30.300 0.037 0.000 0.687 2 S N 2.955 118.704 115.700 0.080 0.000 2.430 2 S HA 0.373 4.842 4.470 -0.000 0.000 0.289 2 S C -0.340 174.387 174.600 0.213 0.000 1.143 2 S CA -0.739 57.544 58.200 0.138 0.000 1.067 2 S CB 1.298 64.600 63.200 0.168 0.000 0.964 2 S HN 0.603 nan 8.310 nan 0.000 0.485 3 E N 1.965 122.295 120.200 0.217 0.000 2.166 3 E HA 0.397 4.747 4.350 -0.000 0.000 0.275 3 E C -1.166 175.564 176.600 0.216 0.000 0.941 3 E CA -0.838 55.645 56.400 0.138 0.000 0.784 3 E CB 1.732 31.468 29.700 0.060 0.000 1.115 3 E HN 0.572 nan 8.360 nan 0.000 0.399 4 L N 2.791 123.988 121.223 -0.043 0.000 2.280 4 L HA 0.272 4.611 4.340 -0.000 0.000 0.287 4 L C -0.596 176.209 176.870 -0.109 0.000 1.023 4 L CA -0.048 54.662 54.840 -0.217 0.000 0.819 4 L CB 1.444 43.157 42.059 -0.577 0.000 1.212 4 L HN 0.364 nan 8.230 nan 0.000 0.420 5 T N 7.145 121.711 114.554 0.020 0.000 2.723 5 T HA 0.478 4.828 4.350 -0.000 0.000 0.297 5 T C 0.074 174.800 174.700 0.043 0.000 0.925 5 T CA -0.020 62.083 62.100 0.006 0.000 1.030 5 T CB -0.211 68.682 68.868 0.042 0.000 0.905 5 T HN 0.570 nan 8.240 nan 0.000 0.502 6 I N -0.086 120.466 120.570 -0.030 0.000 2.797 6 I HA 0.833 5.003 4.170 -0.000 0.000 0.307 6 I C -0.824 175.267 176.117 -0.043 0.000 1.033 6 I CA -1.373 59.917 61.300 -0.017 0.000 1.071 6 I CB 2.199 40.136 38.000 -0.107 0.000 1.255 6 I HN 0.189 nan 8.210 nan 0.000 0.445 7 V N 3.870 123.759 119.914 -0.042 0.000 2.462 7 V HA 0.274 4.394 4.120 -0.000 0.000 0.257 7 V C -1.701 174.381 176.094 -0.019 0.000 0.944 7 V CA -0.598 61.712 62.300 0.017 0.000 0.903 7 V CB 0.446 32.325 31.823 0.094 0.000 1.128 7 V HN 0.732 nan 8.190 nan 0.000 0.486 8 P HA 0.048 nan 4.420 nan 0.000 0.223 8 P C 0.152 177.501 177.300 0.083 0.000 1.151 8 P CA 1.211 64.341 63.100 0.050 0.000 0.787 8 P CB 0.901 32.656 31.700 0.092 0.000 0.788 9 D N -1.959 118.413 120.400 -0.046 0.000 2.648 9 D HA 0.298 4.938 4.640 -0.000 0.000 0.244 9 D C -1.367 174.724 176.300 -0.348 0.000 1.244 9 D CA -0.751 53.069 54.000 -0.299 0.000 0.772 9 D CB 0.695 41.272 40.800 -0.372 0.000 1.379 9 D HN -0.216 nan 8.370 nan 0.000 0.428 10 F N 1.258 120.944 119.950 -0.441 0.000 2.379 10 F HA 0.551 5.077 4.527 -0.000 0.000 0.332 10 F C -0.255 175.224 175.800 -0.535 0.000 1.096 10 F CA -0.499 57.297 58.000 -0.341 0.000 1.105 10 F CB 1.145 40.055 39.000 -0.150 0.000 1.189 10 F HN 0.183 nan 8.300 nan 0.000 0.515 11 Y N 0.779 121.207 120.300 0.212 0.000 2.581 11 Y HA 0.225 4.775 4.550 -0.000 0.000 0.337 11 Y C -2.003 173.933 175.900 0.060 0.000 1.108 11 Y CA -1.902 56.269 58.100 0.118 0.000 1.033 11 Y CB 1.302 39.825 38.460 0.106 0.000 1.318 11 Y HN 0.205 nan 8.280 nan 0.000 0.459 12 P HA 0.023 nan 4.420 nan 0.000 0.224 12 P C 0.226 177.580 177.300 0.091 0.000 1.157 12 P CA 1.019 64.181 63.100 0.104 0.000 0.799 12 P CB 1.305 33.051 31.700 0.077 0.000 0.809 13 T N -1.357 113.266 114.554 0.114 0.000 2.830 13 T HA 0.487 4.837 4.350 -0.000 0.000 0.322 13 T C -1.648 173.058 174.700 0.011 0.000 1.501 13 T CA -0.582 61.552 62.100 0.055 0.000 1.036 13 T CB 0.594 69.483 68.868 0.035 0.000 1.379 13 T HN -0.328 nan 8.240 nan 0.000 0.493 14 M N 3.302 122.878 119.600 -0.040 0.000 2.105 14 M HA 0.507 4.986 4.480 -0.000 0.000 0.350 14 M C -0.466 175.878 176.300 0.073 0.000 1.308 14 M CA -0.590 54.643 55.300 -0.111 0.000 1.108 14 M CB 0.582 33.029 32.600 -0.254 0.000 1.622 14 M HN 0.398 nan 8.290 nan 0.000 0.468 15 V N 5.908 125.815 119.914 -0.013 0.000 2.384 15 V HA 0.504 4.624 4.120 -0.000 0.000 0.287 15 V C -0.035 175.948 176.094 -0.186 0.000 1.020 15 V CA -0.833 61.445 62.300 -0.037 0.000 0.850 15 V CB 1.247 33.018 31.823 -0.085 0.000 0.987 15 V HN 0.830 nan 8.190 nan 0.000 0.436 16 R N 5.651 125.876 120.500 -0.458 0.000 2.606 16 R HA 0.190 4.529 4.340 -0.000 0.000 0.276 16 R C -0.098 175.755 176.300 -0.746 0.000 1.416 16 R CA 0.407 55.895 56.100 -1.020 0.000 1.064 16 R CB -0.489 28.994 30.300 -1.362 0.000 1.117 16 R HN 0.879 nan 8.270 nan 0.000 0.543 17 N N 3.078 121.302 118.700 -0.794 0.000 2.519 17 N HA 0.170 4.910 4.740 -0.000 0.000 0.286 17 N C -1.284 173.877 175.510 -0.581 0.000 1.079 17 N CA -0.575 52.148 53.050 -0.545 0.000 0.878 17 N CB 0.681 38.986 38.487 -0.303 0.000 1.375 17 N HN 0.239 nan 8.380 nan 0.000 0.514 18 F N 1.463 121.340 119.950 -0.122 0.000 2.908 18 F HA 0.309 4.836 4.527 -0.000 0.000 0.328 18 F C 0.602 176.460 175.800 0.097 0.000 1.211 18 F CA -0.755 57.250 58.000 0.009 0.000 1.291 18 F CB -0.071 38.945 39.000 0.026 0.000 0.962 18 F HN 0.427 nan 8.300 nan 0.000 0.505 19 N N 3.505 122.299 118.700 0.156 0.000 2.406 19 N HA 0.127 4.866 4.740 -0.000 0.000 0.251 19 N C -1.566 174.011 175.510 0.111 0.000 1.069 19 N CA -1.930 51.252 53.050 0.219 0.000 0.947 19 N CB 1.444 40.053 38.487 0.204 0.000 1.111 19 N HN 0.005 nan 8.380 nan 0.000 0.497 20 P HA -0.102 nan 4.420 nan 0.000 0.228 20 P C 0.181 177.332 177.300 -0.249 0.000 1.151 20 P CA 1.165 64.122 63.100 -0.238 0.000 0.770 20 P CB -0.028 31.336 31.700 -0.560 0.000 0.786 21 Y N -0.749 119.572 120.300 0.036 0.000 2.485 21 Y HA 0.281 4.831 4.550 -0.000 0.000 0.260 21 Y C 1.280 177.209 175.900 0.048 0.000 1.173 21 Y CA -0.742 57.361 58.100 0.006 0.000 1.252 21 Y CB 0.219 38.662 38.460 -0.029 0.000 1.123 21 Y HN -0.199 nan 8.280 nan 0.000 0.524 22 L N -0.407 120.921 121.223 0.174 0.000 2.309 22 L HA 0.464 4.804 4.340 -0.000 0.000 0.282 22 L C 1.168 178.092 176.870 0.091 0.000 1.036 22 L CA -0.602 54.314 54.840 0.126 0.000 0.806 22 L CB 1.597 43.718 42.059 0.104 0.000 1.220 22 L HN 0.099 nan 8.230 nan 0.000 0.429 23 A N 1.981 124.845 122.820 0.072 0.000 1.902 23 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 23 A C 1.072 178.689 177.584 0.056 0.000 1.181 23 A CA 1.313 53.384 52.037 0.056 0.000 0.623 23 A CB -0.392 18.632 19.000 0.041 0.000 0.818 23 A HN 0.690 nan 8.150 nan 0.000 0.443 24 T N 1.711 116.297 114.554 0.054 0.000 2.762 24 T HA 0.489 4.839 4.350 -0.000 0.000 0.303 24 T C -0.180 174.549 174.700 0.049 0.000 0.977 24 T CA -0.124 62.011 62.100 0.057 0.000 0.961 24 T CB -0.211 68.683 68.868 0.044 0.000 0.944 24 T HN 0.789 nan 8.240 nan 0.000 0.481 25 N N 1.536 120.280 118.700 0.072 0.000 3.364 25 N HA 0.432 5.171 4.740 -0.000 0.000 0.294 25 N C -1.693 173.867 175.510 0.083 0.000 1.562 25 N CA -1.088 51.979 53.050 0.029 0.000 0.862 25 N CB 0.634 39.147 38.487 0.042 0.000 1.691 25 N HN 0.091 nan 8.380 nan 0.000 0.572 26 L N 1.533 122.754 121.223 -0.002 0.000 2.319 26 L HA 0.325 4.665 4.340 -0.000 0.000 0.280 26 L C 1.077 178.129 176.870 0.303 0.000 1.099 26 L CA -0.233 54.663 54.840 0.094 0.000 0.828 26 L CB 0.688 42.618 42.059 -0.216 0.000 1.150 26 L HN 0.566 nan 8.230 nan 0.000 0.442 27 R N 1.464 122.221 120.500 0.427 0.000 2.346 27 R HA 0.034 4.374 4.340 -0.000 0.000 0.208 27 R C 0.857 177.381 176.300 0.372 0.000 1.052 27 R CA 0.404 56.709 56.100 0.342 0.000 1.116 27 R CB -1.255 29.212 30.300 0.277 0.000 1.003 27 R HN 0.713 nan 8.270 nan 0.000 0.482 28 T N -5.371 109.470 114.554 0.478 0.000 3.252 28 T HA 0.182 4.532 4.350 -0.000 0.000 0.286 28 T C 1.027 176.052 174.700 0.543 0.000 1.013 28 T CA -0.347 62.096 62.100 0.572 0.000 0.914 28 T CB 0.488 69.690 68.868 0.556 0.000 1.131 28 T HN -0.106 nan 8.240 nan 0.000 0.529 29 T N 2.607 117.430 114.554 0.449 0.000 2.866 29 T HA 0.101 4.451 4.350 -0.000 0.000 0.250 29 T C 1.252 176.159 174.700 0.345 0.000 1.033 29 T CA 1.217 63.571 62.100 0.423 0.000 1.145 29 T CB -0.293 68.844 68.868 0.449 0.000 0.866 29 T HN 0.759 nan 8.240 nan 0.000 0.434 30 T N 0.674 115.377 114.554 0.248 0.000 2.899 30 T HA 0.200 4.550 4.350 -0.000 0.000 0.295 30 T C 0.383 175.111 174.700 0.046 0.000 1.033 30 T CA -0.098 62.102 62.100 0.166 0.000 1.084 30 T CB 0.546 69.469 68.868 0.092 0.000 0.979 30 T HN 0.472 nan 8.240 nan 0.000 0.532 31 D N 0.215 120.618 120.400 0.005 0.000 3.324 31 D HA -0.252 4.388 4.640 -0.000 0.000 0.183 31 D C 0.884 177.143 176.300 -0.068 0.000 1.646 31 D CA 1.934 55.862 54.000 -0.121 0.000 2.139 31 D CB -1.140 39.475 40.800 -0.309 0.000 1.346 31 D HN 0.572 nan 8.370 nan 0.000 0.405 32 F N 0.559 120.597 119.950 0.146 0.000 2.387 32 F HA 0.292 4.819 4.527 -0.000 0.000 0.294 32 F C 2.634 178.459 175.800 0.041 0.000 1.093 32 F CA 0.331 58.420 58.000 0.149 0.000 1.420 32 F CB -0.148 38.991 39.000 0.231 0.000 1.086 32 F HN 0.078 nan 8.300 nan 0.000 0.531 33 I N -2.237 118.446 120.570 0.188 0.000 2.512 33 I HA -0.097 4.073 4.170 -0.000 0.000 0.247 33 I C -0.234 175.726 176.117 -0.262 0.000 1.094 33 I CA 0.566 61.801 61.300 -0.108 0.000 1.427 33 I CB -0.062 37.794 38.000 -0.240 0.000 1.149 33 I HN -0.163 nan 8.210 nan 0.000 0.438 34 Y N 1.717 122.110 120.300 0.155 0.000 2.402 34 Y HA 0.349 4.899 4.550 -0.000 0.000 0.332 34 Y C 0.104 176.043 175.900 0.066 0.000 0.960 34 Y CA -0.682 57.497 58.100 0.131 0.000 1.228 34 Y CB 0.762 39.304 38.460 0.138 0.000 1.120 34 Y HN 0.030 nan 8.280 nan 0.000 0.491 35 E N 6.163 126.439 120.200 0.127 0.000 2.338 35 E HA 0.226 4.576 4.350 -0.000 0.000 0.272 35 E C -2.271 174.357 176.600 0.047 0.000 1.029 35 E CA -2.039 54.414 56.400 0.090 0.000 0.872 35 E CB 0.838 30.611 29.700 0.122 0.000 1.015 35 E HN 0.285 nan 8.360 nan 0.000 0.417 36 P HA 0.013 nan 4.420 nan 0.000 0.276 36 P C 0.492 177.816 177.300 0.040 0.000 1.261 36 P CA -0.078 63.059 63.100 0.062 0.000 0.800 36 P CB 0.898 32.637 31.700 0.065 0.000 1.066 37 L N -0.481 120.779 121.223 0.062 0.000 2.109 37 L HA 0.021 4.360 4.340 -0.000 0.000 0.207 37 L C 0.788 177.737 176.870 0.132 0.000 1.086 37 L CA 1.242 56.142 54.840 0.099 0.000 0.760 37 L CB -0.230 41.859 42.059 0.049 0.000 0.910 37 L HN 0.129 nan 8.230 nan 0.000 0.437 38 V N -0.689 119.278 119.914 0.089 0.000 2.932 38 V HA 0.314 4.433 4.120 -0.000 0.000 0.307 38 V C -0.921 175.172 176.094 -0.003 0.000 1.147 38 V CA -0.857 61.426 62.300 -0.028 0.000 0.951 38 V CB 2.767 34.512 31.823 -0.129 0.000 1.031 38 V HN -0.203 nan 8.190 nan 0.000 0.426 39 V N 4.605 124.484 119.914 -0.058 0.000 2.384 39 V HA 0.675 4.795 4.120 -0.000 0.000 0.287 39 V C -1.108 174.981 176.094 -0.009 0.000 1.020 39 V CA -0.246 62.088 62.300 0.057 0.000 0.850 39 V CB 1.197 33.076 31.823 0.093 0.000 0.987 39 V HN 0.609 nan 8.190 nan 0.000 0.436 40 F N 5.089 125.085 119.950 0.077 0.000 2.420 40 F HA 0.390 4.917 4.527 -0.000 0.000 0.352 40 F C 0.984 176.875 175.800 0.152 0.000 1.108 40 F CA -0.004 58.078 58.000 0.137 0.000 1.162 40 F CB 0.903 40.078 39.000 0.292 0.000 1.118 40 F HN 0.636 nan 8.300 nan 0.000 0.510 41 N N 3.482 122.323 118.700 0.235 0.000 2.719 41 N HA 0.056 4.796 4.740 -0.000 0.000 0.243 41 N C 0.797 176.439 175.510 0.221 0.000 1.104 41 N CA -0.138 53.020 53.050 0.180 0.000 0.981 41 N CB 0.305 38.840 38.487 0.081 0.000 1.290 41 N HN 0.666 nan 8.380 nan 0.000 0.513 42 E N 2.157 122.511 120.200 0.256 0.000 2.130 42 E HA -0.299 4.051 4.350 -0.000 0.000 0.196 42 E C 1.602 178.370 176.600 0.279 0.000 0.998 42 E CA 1.046 57.616 56.400 0.283 0.000 0.806 42 E CB -0.042 29.808 29.700 0.250 0.000 0.738 42 E HN 0.725 nan 8.360 nan 0.000 0.459 43 M N 0.793 120.493 119.600 0.167 0.000 2.279 43 M HA -0.110 4.370 4.480 -0.000 0.000 0.264 43 M C 0.462 176.863 176.300 0.169 0.000 1.062 43 M CA 1.298 56.683 55.300 0.141 0.000 1.099 43 M CB 0.275 32.910 32.600 0.058 0.000 1.394 43 M HN -0.232 nan 8.290 nan 0.000 0.426 44 K N 0.387 120.872 120.400 0.142 0.000 2.805 44 K HA 0.293 4.612 4.320 -0.000 0.000 0.227 44 K C 0.409 177.079 176.600 0.117 0.000 1.207 44 K CA 0.254 56.603 56.287 0.103 0.000 1.153 44 K CB -0.000 32.516 32.500 0.027 0.000 1.688 44 K HN 0.462 nan 8.250 nan 0.000 0.467 45 G N 1.761 110.674 108.800 0.188 0.000 2.166 45 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.260 45 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.260 45 G C 0.274 175.331 174.900 0.261 0.000 0.986 45 G CA 0.451 45.600 45.100 0.082 0.000 0.683 45 G HN 0.682 nan 8.290 nan 0.000 0.527 46 N N -1.060 117.845 118.700 0.341 0.000 2.756 46 N HA -0.160 4.580 4.740 -0.000 0.000 0.248 46 N C 0.228 175.983 175.510 0.409 0.000 1.062 46 N CA 1.460 54.753 53.050 0.405 0.000 0.696 46 N CB -1.493 37.245 38.487 0.418 0.000 0.946 46 N HN 0.674 nan 8.380 nan 0.000 0.548 47 T N 1.948 116.633 114.554 0.218 0.000 2.851 47 T HA 0.321 4.671 4.350 -0.000 0.000 0.298 47 T C -2.294 172.367 174.700 -0.065 0.000 0.977 47 T CA -0.697 61.458 62.100 0.091 0.000 1.126 47 T CB 1.277 70.160 68.868 0.026 0.000 0.916 47 T HN 0.150 nan 8.240 nan 0.000 0.529 48 P HA 0.289 nan 4.420 nan 0.000 0.280 48 P C -1.075 175.857 177.300 -0.613 0.000 1.244 48 P CA -0.405 62.163 63.100 -0.887 0.000 0.784 48 P CB 0.832 31.811 31.700 -1.201 0.000 0.913 49 V N 4.756 124.358 119.914 -0.520 0.000 2.357 49 V HA 0.269 4.388 4.120 -0.000 0.000 0.284 49 V C 0.151 176.064 176.094 -0.302 0.000 1.018 49 V CA -0.518 61.635 62.300 -0.245 0.000 0.841 49 V CB 0.302 32.096 31.823 -0.048 0.000 0.991 49 V HN 0.345 nan 8.190 nan 0.000 0.437 50 F N 5.622 125.580 119.950 0.013 0.000 2.472 50 F HA 0.476 5.002 4.527 -0.000 0.000 0.364 50 F C 1.222 177.068 175.800 0.077 0.000 1.090 50 F CA -0.035 57.989 58.000 0.040 0.000 1.188 50 F CB 0.587 39.597 39.000 0.016 0.000 1.105 50 F HN 0.460 nan 8.300 nan 0.000 0.536 51 R N 1.723 122.328 120.500 0.175 0.000 1.836 51 R HA 0.289 4.629 4.340 -0.000 0.000 0.128 51 R C 1.739 177.891 176.300 -0.247 0.000 2.038 51 R CA -0.259 55.907 56.100 0.111 0.000 1.737 51 R CB -0.919 29.486 30.300 0.175 0.000 1.399 51 R HN 0.475 nan 8.270 nan 0.000 0.485 52 L N 1.581 122.642 121.223 -0.269 0.000 2.127 52 L HA 0.009 4.349 4.340 -0.000 0.000 0.211 52 L C 0.919 177.731 176.870 -0.097 0.000 1.089 52 L CA 1.300 55.890 54.840 -0.417 0.000 0.757 52 L CB -0.810 40.982 42.059 -0.445 0.000 0.899 52 L HN 0.376 nan 8.230 nan 0.000 0.434 53 A N -1.322 121.567 122.820 0.115 0.000 2.325 53 A HA 0.435 4.755 4.320 -0.000 0.000 0.333 53 A C 0.965 178.711 177.584 0.270 0.000 1.155 53 A CA -0.513 51.693 52.037 0.282 0.000 0.814 53 A CB 0.659 19.989 19.000 0.549 0.000 1.206 53 A HN 0.296 nan 8.150 nan 0.000 0.482 54 E N 0.306 120.583 120.200 0.127 0.000 2.216 54 E HA 0.092 4.442 4.350 -0.000 0.000 0.192 54 E C 0.273 176.575 176.600 -0.497 0.000 0.973 54 E CA 1.065 57.412 56.400 -0.088 0.000 0.851 54 E CB 0.186 29.807 29.700 -0.132 0.000 0.804 54 E HN 0.753 nan 8.360 nan 0.000 0.477 55 S N -0.443 115.112 115.700 -0.242 0.000 2.595 55 S HA 0.473 4.943 4.470 -0.000 0.000 0.270 55 S C -1.380 173.189 174.600 -0.051 0.000 1.145 55 S CA -1.143 56.788 58.200 -0.449 0.000 0.825 55 S CB 0.923 63.820 63.200 -0.503 0.000 1.107 55 S HN 0.269 nan 8.310 nan 0.000 0.461 56 Y N -0.788 119.397 120.300 -0.191 0.000 2.562 56 Y HA 0.905 5.454 4.550 -0.000 0.000 0.345 56 Y C -1.136 174.607 175.900 -0.260 0.000 1.045 56 Y CA -1.027 56.790 58.100 -0.470 0.000 1.028 56 Y CB 1.562 39.239 38.460 -1.306 0.000 1.297 56 Y HN 0.856 nan 8.280 nan 0.000 0.463 57 K N 3.144 123.541 120.400 -0.005 0.000 2.581 57 K HA 0.449 4.769 4.320 -0.000 0.000 0.249 57 K C -1.647 174.995 176.600 0.069 0.000 0.966 57 K CA -0.605 55.684 56.287 0.003 0.000 0.811 57 K CB 1.545 34.018 32.500 -0.045 0.000 1.223 57 K HN 0.922 nan 8.250 nan 0.000 0.438 58 M N 2.904 122.560 119.600 0.093 0.000 2.255 58 M HA 0.453 4.933 4.480 -0.000 0.000 0.336 58 M C 0.437 176.762 176.300 0.042 0.000 1.135 58 M CA -0.765 54.577 55.300 0.071 0.000 1.145 58 M CB 1.431 34.072 32.600 0.068 0.000 1.473 58 M HN 0.812 nan 8.290 nan 0.000 0.462 59 A N 1.346 124.190 122.820 0.039 0.000 2.346 59 A HA 0.095 4.415 4.320 -0.000 0.000 0.252 59 A C 0.570 178.166 177.584 0.021 0.000 1.089 59 A CA -0.447 51.607 52.037 0.028 0.000 0.797 59 A CB 0.147 19.166 19.000 0.031 0.000 1.047 59 A HN 0.908 nan 8.150 nan 0.000 0.494 60 D N 0.148 120.557 120.400 0.014 0.000 2.264 60 D HA -0.130 4.510 4.640 -0.000 0.000 0.208 60 D C 0.909 177.217 176.300 0.013 0.000 0.966 60 D CA 1.405 55.411 54.000 0.010 0.000 0.864 60 D CB -0.009 40.795 40.800 0.006 0.000 0.933 60 D HN 0.773 nan 8.370 nan 0.000 0.499 61 D N 1.121 121.531 120.400 0.017 0.000 2.340 61 D HA -0.114 4.526 4.640 -0.000 0.000 0.220 61 D C 1.339 177.653 176.300 0.024 0.000 1.039 61 D CA -0.036 53.976 54.000 0.020 0.000 0.866 61 D CB -0.075 40.738 40.800 0.022 0.000 0.913 61 D HN 0.164 nan 8.370 nan 0.000 0.523 62 L N -0.585 120.651 121.223 0.022 0.000 4.312 62 L HA -0.235 4.105 4.340 -0.000 0.000 0.427 62 L C 1.084 177.970 176.870 0.027 0.000 1.149 62 L CA 0.343 55.195 54.840 0.020 0.000 0.978 62 L CB -1.387 40.678 42.059 0.010 0.000 1.963 62 L HN 0.226 nan 8.230 nan 0.000 0.970 63 M N -0.854 118.769 119.600 0.038 0.000 2.428 63 M HA 0.207 4.686 4.480 -0.000 0.000 0.239 63 M C 0.851 177.189 176.300 0.063 0.000 1.121 63 M CA 0.833 56.163 55.300 0.051 0.000 1.019 63 M CB 0.010 32.639 32.600 0.048 0.000 1.485 63 M HN 0.552 nan 8.290 nan 0.000 0.484 64 S N -0.964 114.774 115.700 0.063 0.000 2.567 64 S HA 0.690 5.160 4.470 -0.000 0.000 0.270 64 S C -1.109 173.549 174.600 0.096 0.000 1.152 64 S CA -0.851 57.402 58.200 0.089 0.000 0.835 64 S CB 2.728 65.975 63.200 0.079 0.000 1.115 64 S HN -0.011 nan 8.310 nan 0.000 0.459 65 V N 1.745 121.751 119.914 0.153 0.000 2.932 65 V HA 0.869 4.989 4.120 -0.000 0.000 0.307 65 V C -0.783 175.477 176.094 0.276 0.000 1.147 65 V CA 0.391 62.786 62.300 0.158 0.000 0.951 65 V CB 2.120 34.001 31.823 0.097 0.000 1.031 65 V HN 1.597 nan 8.190 nan 0.000 0.426 66 T N 3.004 117.680 114.554 0.202 0.000 2.885 66 T HA 0.795 5.145 4.350 -0.000 0.000 0.285 66 T C -1.058 173.789 174.700 0.245 0.000 1.019 66 T CA -0.419 61.841 62.100 0.266 0.000 1.010 66 T CB 1.482 70.436 68.868 0.143 0.000 1.022 66 T HN 0.399 nan 8.240 nan 0.000 0.466 67 F N 0.859 120.953 119.950 0.240 0.000 2.508 67 F HA 0.483 5.009 4.527 -0.000 0.000 0.325 67 F C -0.054 175.851 175.800 0.176 0.000 1.090 67 F CA -1.033 57.122 58.000 0.258 0.000 0.945 67 F CB 1.970 41.152 39.000 0.304 0.000 1.156 67 F HN 0.535 nan 8.300 nan 0.000 0.463 68 D N 3.748 124.326 120.400 0.297 0.000 2.329 68 D HA 0.285 4.925 4.640 -0.000 0.000 0.232 68 D C -0.022 176.413 176.300 0.225 0.000 1.088 68 D CA -0.180 53.936 54.000 0.193 0.000 0.835 68 D CB 1.340 42.184 40.800 0.073 0.000 1.078 68 D HN 0.098 nan 8.370 nan 0.000 0.495 69 I N 1.661 122.380 120.570 0.247 0.000 2.529 69 I HA 0.075 4.244 4.170 -0.000 0.000 0.284 69 I C 1.264 177.470 176.117 0.149 0.000 1.082 69 I CA -0.232 61.228 61.300 0.267 0.000 1.406 69 I CB 0.196 38.391 38.000 0.325 0.000 1.405 69 I HN 0.190 nan 8.210 nan 0.000 0.548 70 R N 5.648 126.178 120.500 0.050 0.000 2.489 70 R HA 0.096 4.436 4.340 -0.000 0.000 0.287 70 R C -0.313 175.891 176.300 -0.159 0.000 1.053 70 R CA -0.292 55.741 56.100 -0.112 0.000 1.036 70 R CB 0.534 30.673 30.300 -0.269 0.000 0.966 70 R HN 0.520 nan 8.270 nan 0.000 0.432 71 K N 2.019 122.240 120.400 -0.298 0.000 2.185 71 K HA 0.239 4.558 4.320 -0.000 0.000 0.271 71 K C 0.715 177.188 176.600 -0.212 0.000 1.013 71 K CA 0.669 56.677 56.287 -0.465 0.000 0.943 71 K CB 1.237 33.371 32.500 -0.609 0.000 0.998 71 K HN 0.895 nan 8.250 nan 0.000 0.468 72 G N 0.431 109.156 108.800 -0.125 0.000 2.175 72 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.244 72 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.244 72 G C 0.009 174.928 174.900 0.031 0.000 0.982 72 G CA 0.130 45.217 45.100 -0.021 0.000 0.641 72 G HN 0.587 nan 8.290 nan 0.000 0.527 73 V N -0.587 119.331 119.914 0.008 0.000 2.607 73 V HA 0.836 4.956 4.120 -0.000 0.000 0.289 73 V C 0.088 176.215 176.094 0.055 0.000 1.053 73 V CA -0.389 61.904 62.300 -0.012 0.000 0.996 73 V CB 1.392 33.033 31.823 -0.303 0.000 0.995 73 V HN 0.333 nan 8.190 nan 0.000 0.476 74 K N 3.902 124.336 120.400 0.057 0.000 2.400 74 K HA 0.495 4.814 4.320 -0.000 0.000 0.246 74 K C -1.415 175.227 176.600 0.070 0.000 0.995 74 K CA -0.517 55.836 56.287 0.110 0.000 0.840 74 K CB 2.061 34.654 32.500 0.156 0.000 1.293 74 K HN 0.762 nan 8.250 nan 0.000 0.445 75 W N 0.939 122.373 121.300 0.224 0.000 2.251 75 W HA 0.015 4.675 4.660 -0.000 0.000 0.329 75 W C 1.595 178.222 176.519 0.180 0.000 1.234 75 W CA -0.006 57.481 57.345 0.238 0.000 1.228 75 W CB 1.001 30.666 29.460 0.341 0.000 1.135 75 W HN 0.770 nan 8.180 nan 0.000 0.576 76 S N -0.448 115.493 115.700 0.401 0.000 2.484 76 S HA -0.293 4.176 4.470 -0.000 0.000 0.250 76 S C 1.385 176.129 174.600 0.240 0.000 0.995 76 S CA 1.716 60.066 58.200 0.250 0.000 0.967 76 S CB -0.248 63.061 63.200 0.181 0.000 0.752 76 S HN 0.676 nan 8.310 nan 0.000 0.517 77 D N 1.460 122.056 120.400 0.328 0.000 2.144 77 D HA 0.016 4.656 4.640 -0.000 0.000 0.200 77 D C 1.679 178.103 176.300 0.207 0.000 0.978 77 D CA 1.555 55.718 54.000 0.272 0.000 0.833 77 D CB -0.292 40.737 40.800 0.381 0.000 0.961 77 D HN 0.633 nan 8.370 nan 0.000 0.470 78 G N 0.259 109.198 108.800 0.232 0.000 2.316 78 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.203 78 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.203 78 G C 0.248 175.244 174.900 0.161 0.000 0.999 78 G CA -0.070 45.128 45.100 0.164 0.000 0.649 78 G HN 0.245 nan 8.290 nan 0.000 0.489 79 E N 1.005 121.308 120.200 0.172 0.000 2.404 79 E HA 0.532 4.882 4.350 -0.000 0.000 0.261 79 E C 0.808 177.583 176.600 0.292 0.000 1.074 79 E CA 0.551 57.008 56.400 0.095 0.000 0.917 79 E CB 1.016 30.540 29.700 -0.293 0.000 0.965 79 E HN 0.825 nan 8.360 nan 0.000 0.433 80 A N 2.449 125.404 122.820 0.225 0.000 2.354 80 A HA 0.262 4.582 4.320 -0.000 0.000 0.269 80 A C -0.509 177.326 177.584 0.418 0.000 1.109 80 A CA -0.342 51.861 52.037 0.277 0.000 0.800 80 A CB -0.010 19.110 19.000 0.199 0.000 1.045 80 A HN 0.489 nan 8.150 nan 0.000 0.489 81 F N 3.374 123.432 119.950 0.179 0.000 2.411 81 F HA 0.543 5.070 4.527 -0.000 0.000 0.355 81 F C 0.679 176.592 175.800 0.188 0.000 1.117 81 F CA 0.521 58.606 58.000 0.141 0.000 1.139 81 F CB 1.056 39.891 39.000 -0.275 0.000 1.120 81 F HN 0.772 nan 8.300 nan 0.000 0.493 82 T N 2.121 116.421 114.554 -0.423 0.000 2.716 82 T HA 0.631 4.980 4.350 -0.000 0.000 0.286 82 T C 0.855 175.246 174.700 -0.516 0.000 1.052 82 T CA -0.272 61.580 62.100 -0.413 0.000 1.024 82 T CB 1.014 69.666 68.868 -0.360 0.000 1.349 82 T HN 0.626 nan 8.240 nan 0.000 0.525 83 A N 0.378 122.991 122.820 -0.345 0.000 2.024 83 A HA -0.042 4.278 4.320 -0.000 0.000 0.220 83 A C 1.869 179.346 177.584 -0.179 0.000 1.164 83 A CA 1.980 53.880 52.037 -0.227 0.000 0.643 83 A CB -1.331 17.569 19.000 -0.167 0.000 0.806 83 A HN 0.866 nan 8.150 nan 0.000 0.451 84 D N 0.471 120.773 120.400 -0.163 0.000 2.158 84 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 84 D C 1.319 177.630 176.300 0.018 0.000 0.995 84 D CA 1.446 55.408 54.000 -0.063 0.000 0.846 84 D CB -0.289 40.479 40.800 -0.053 0.000 0.941 84 D HN 0.471 nan 8.370 nan 0.000 0.456 85 D N 0.070 120.461 120.400 -0.015 0.000 2.097 85 D HA -0.093 4.547 4.640 -0.000 0.000 0.197 85 D C 2.391 178.811 176.300 0.199 0.000 0.984 85 D CA 0.538 54.628 54.000 0.151 0.000 0.826 85 D CB -0.215 40.731 40.800 0.243 0.000 0.973 85 D HN 0.094 nan 8.370 nan 0.000 0.460 86 V N 1.333 121.294 119.914 0.078 0.000 2.255 86 V HA -0.227 3.892 4.120 -0.000 0.000 0.247 86 V C 2.793 178.977 176.094 0.151 0.000 1.051 86 V CA 1.199 63.601 62.300 0.171 0.000 1.018 86 V CB -0.740 31.107 31.823 0.041 0.000 0.641 86 V HN 0.031 nan 8.190 nan 0.000 0.445 87 V N -0.782 119.136 119.914 0.007 0.000 2.332 87 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 87 V C 2.236 178.371 176.094 0.069 0.000 1.055 87 V CA 2.710 64.995 62.300 -0.026 0.000 1.038 87 V CB -0.772 31.015 31.823 -0.059 0.000 0.651 87 V HN 0.699 nan 8.190 nan 0.000 0.450 88 Y N 0.996 121.307 120.300 0.019 0.000 2.163 88 Y HA -0.214 4.335 4.550 -0.000 0.000 0.288 88 Y C 2.738 178.648 175.900 0.016 0.000 1.136 88 Y CA 1.907 60.018 58.100 0.018 0.000 1.147 88 Y CB -0.315 38.157 38.460 0.019 0.000 0.987 88 Y HN 0.206 nan 8.280 nan 0.000 0.509 89 S N 0.400 116.143 115.700 0.072 0.000 2.353 89 S HA -0.209 4.260 4.470 -0.000 0.000 0.222 89 S C 1.723 176.169 174.600 -0.258 0.000 1.035 89 S CA 1.822 59.968 58.200 -0.090 0.000 1.025 89 S CB -0.816 62.446 63.200 0.102 0.000 0.902 89 S HN 0.482 nan 8.310 nan 0.000 0.440 90 F N 1.740 121.607 119.950 -0.138 0.000 2.293 90 F HA 0.047 4.574 4.527 -0.000 0.000 0.300 90 F C 2.499 178.187 175.800 -0.186 0.000 1.086 90 F CA 0.774 58.701 58.000 -0.121 0.000 1.375 90 F CB -0.921 38.064 39.000 -0.024 0.000 1.045 90 F HN 0.291 nan 8.300 nan 0.000 0.516 91 G N -0.335 108.412 108.800 -0.089 0.000 2.394 91 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.215 91 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.215 91 G C 1.653 176.392 174.900 -0.268 0.000 1.165 91 G CA 0.693 45.700 45.100 -0.156 0.000 0.784 91 G HN 0.315 nan 8.290 nan 0.000 0.535 92 L N 0.022 120.969 121.223 -0.461 0.000 2.012 92 L HA 0.040 4.380 4.340 -0.000 0.000 0.210 92 L C 2.519 179.171 176.870 -0.363 0.000 1.073 92 L CA 1.515 56.076 54.840 -0.465 0.000 0.748 92 L CB -0.402 41.283 42.059 -0.622 0.000 0.891 92 L HN 0.125 nan 8.230 nan 0.000 0.431 93 L N -0.500 120.468 121.223 -0.426 0.000 2.156 93 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 93 L C 2.488 179.221 176.870 -0.229 0.000 1.095 93 L CA 1.474 56.078 54.840 -0.394 0.000 0.770 93 L CB -0.863 40.892 42.059 -0.507 0.000 0.914 93 L HN 0.255 nan 8.230 nan 0.000 0.439 94 K N 0.104 120.404 120.400 -0.166 0.000 2.057 94 K HA -0.048 4.272 4.320 -0.000 0.000 0.206 94 K C 2.013 178.557 176.600 -0.093 0.000 1.050 94 K CA 1.550 57.783 56.287 -0.090 0.000 0.935 94 K CB -0.357 32.118 32.500 -0.042 0.000 0.715 94 K HN 0.216 nan 8.250 nan 0.000 0.439 95 A N -0.542 122.210 122.820 -0.113 0.000 2.067 95 A HA 0.038 4.358 4.320 -0.000 0.000 0.217 95 A C 0.843 178.375 177.584 -0.087 0.000 1.156 95 A CA 0.963 52.945 52.037 -0.091 0.000 0.683 95 A CB -0.059 18.886 19.000 -0.093 0.000 0.808 95 A HN 0.137 nan 8.150 nan 0.000 0.455 96 K N -0.007 120.326 120.400 -0.113 0.000 2.842 96 K HA 0.288 4.608 4.320 -0.000 0.000 0.176 96 K C -2.264 174.269 176.600 -0.112 0.000 1.080 96 K CA -2.288 53.943 56.287 -0.093 0.000 0.954 96 K CB 1.087 33.538 32.500 -0.082 0.000 1.203 96 K HN 0.013 nan 8.250 nan 0.000 0.611 97 P HA -0.265 nan 4.420 nan 0.000 0.221 97 P C 0.379 177.629 177.300 -0.082 0.000 1.141 97 P CA 1.292 64.336 63.100 -0.094 0.000 0.794 97 P CB 0.300 31.957 31.700 -0.072 0.000 0.764 98 E N -0.063 120.099 120.200 -0.063 0.000 2.427 98 E HA -0.039 4.311 4.350 -0.000 0.000 0.196 98 E C 1.852 178.429 176.600 -0.040 0.000 1.028 98 E CA 0.224 56.601 56.400 -0.038 0.000 0.864 98 E CB -0.739 28.951 29.700 -0.015 0.000 0.813 98 E HN 0.264 nan 8.360 nan 0.000 0.514 99 L N 0.948 122.117 121.223 -0.089 0.000 2.509 99 L HA 0.065 4.405 4.340 -0.000 0.000 0.222 99 L C 0.870 177.619 176.870 -0.202 0.000 1.123 99 L CA 0.170 54.934 54.840 -0.125 0.000 0.856 99 L CB 0.115 42.017 42.059 -0.261 0.000 0.985 99 L HN 0.066 nan 8.230 nan 0.000 0.456 100 D N -0.058 120.233 120.400 -0.181 0.000 2.563 100 D HA 0.024 4.664 4.640 -0.000 0.000 0.222 100 D C 1.193 177.447 176.300 -0.075 0.000 1.145 100 D CA 0.019 53.918 54.000 -0.168 0.000 1.001 100 D CB 0.824 41.526 40.800 -0.163 0.000 1.049 100 D HN 0.009 nan 8.370 nan 0.000 0.515 101 Q N 1.156 120.938 119.800 -0.030 0.000 2.226 101 Q HA -0.043 4.297 4.340 -0.000 0.000 0.204 101 Q C 1.449 177.451 176.000 0.002 0.000 0.975 101 Q CA 1.152 56.956 55.803 0.002 0.000 0.866 101 Q CB 0.331 29.091 28.738 0.036 0.000 0.915 101 Q HN 0.288 nan 8.270 nan 0.000 0.440 102 R N -1.429 119.069 120.500 -0.003 0.000 2.276 102 R HA 0.149 4.489 4.340 -0.000 0.000 0.196 102 R C 0.682 176.996 176.300 0.023 0.000 0.961 102 R CA 0.800 56.910 56.100 0.016 0.000 1.024 102 R CB 0.279 30.587 30.300 0.014 0.000 0.940 102 R HN 0.301 nan 8.270 nan 0.000 0.480 103 G N 2.256 111.051 108.800 -0.009 0.000 2.289 103 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.280 103 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.280 103 G C 0.542 175.446 174.900 0.008 0.000 1.089 103 G CA 0.270 45.354 45.100 -0.026 0.000 0.939 103 G HN 0.336 nan 8.290 nan 0.000 0.499 104 I N 0.142 120.738 120.570 0.044 0.000 2.546 104 I HA 0.019 4.189 4.170 -0.000 0.000 0.255 104 I C 2.011 178.211 176.117 0.139 0.000 1.163 104 I CA 1.311 62.711 61.300 0.167 0.000 1.457 104 I CB -0.158 37.936 38.000 0.157 0.000 1.092 104 I HN 0.300 nan 8.210 nan 0.000 0.434 105 N N 1.017 119.735 118.700 0.030 0.000 2.348 105 N HA -0.249 4.490 4.740 -0.000 0.000 0.185 105 N C 1.788 177.264 175.510 -0.056 0.000 1.019 105 N CA 0.915 53.970 53.050 0.009 0.000 0.880 105 N CB -0.445 38.017 38.487 -0.041 0.000 0.965 105 N HN 0.488 nan 8.380 nan 0.000 0.437 106 K N -0.542 119.747 120.400 -0.185 0.000 2.147 106 K HA -0.118 4.202 4.320 -0.000 0.000 0.205 106 K C 1.221 177.539 176.600 -0.471 0.000 1.049 106 K CA 1.065 57.096 56.287 -0.428 0.000 0.936 106 K CB 0.000 32.080 32.500 -0.701 0.000 0.722 106 K HN 0.259 nan 8.250 nan 0.000 0.446 107 W N 0.082 121.391 121.300 0.015 0.000 2.699 107 W HA 0.153 4.813 4.660 -0.000 0.000 0.265 107 W C 0.241 176.783 176.519 0.038 0.000 1.210 107 W CA -0.683 56.669 57.345 0.012 0.000 1.414 107 W CB 0.449 29.901 29.460 -0.013 0.000 1.043 107 W HN -0.328 nan 8.180 nan 0.000 0.599 108 V N 1.872 121.963 119.914 0.294 0.000 2.364 108 V HA 0.116 4.235 4.120 -0.000 0.000 0.272 108 V C 0.756 176.945 176.094 0.159 0.000 1.036 108 V CA 0.223 62.671 62.300 0.246 0.000 0.880 108 V CB 0.958 32.986 31.823 0.341 0.000 0.991 108 V HN 0.057 nan 8.190 nan 0.000 0.460 109 T N 2.718 117.343 114.554 0.118 0.000 2.896 109 T HA 0.025 4.375 4.350 -0.000 0.000 0.263 109 T C 0.692 175.422 174.700 0.050 0.000 1.050 109 T CA 1.303 63.444 62.100 0.067 0.000 1.140 109 T CB 0.063 68.963 68.868 0.054 0.000 0.877 109 T HN 0.846 nan 8.240 nan 0.000 0.457 110 S N -0.562 115.168 115.700 0.049 0.000 2.597 110 S HA 0.533 5.002 4.470 -0.000 0.000 0.274 110 S C -1.742 172.819 174.600 -0.064 0.000 1.132 110 S CA -1.058 57.143 58.200 0.002 0.000 0.835 110 S CB 1.496 64.687 63.200 -0.014 0.000 1.092 110 S HN -0.056 nan 8.310 nan 0.000 0.457 111 V N 2.338 122.159 119.914 -0.155 0.000 2.487 111 V HA 0.663 4.783 4.120 -0.000 0.000 0.298 111 V C -0.308 175.629 176.094 -0.263 0.000 1.028 111 V CA -0.467 61.600 62.300 -0.387 0.000 0.860 111 V CB 1.276 32.741 31.823 -0.598 0.000 0.991 111 V HN 1.013 nan 8.190 nan 0.000 0.427 112 E N 3.540 123.591 120.200 -0.248 0.000 2.277 112 E HA 0.544 4.894 4.350 -0.000 0.000 0.266 112 E C -0.932 175.578 176.600 -0.151 0.000 0.901 112 E CA -1.148 55.161 56.400 -0.152 0.000 0.782 112 E CB 2.707 32.353 29.700 -0.091 0.000 1.228 112 E HN 0.489 nan 8.360 nan 0.000 0.424 113 K N 2.395 122.730 120.400 -0.108 0.000 2.284 113 K HA 0.159 4.479 4.320 -0.000 0.000 0.287 113 K C 0.184 176.746 176.600 -0.064 0.000 1.081 113 K CA -0.329 55.901 56.287 -0.094 0.000 0.910 113 K CB 1.050 33.498 32.500 -0.085 0.000 1.088 113 K HN 0.486 nan 8.250 nan 0.000 0.478 114 V N 3.348 123.233 119.914 -0.048 0.000 2.649 114 V HA -0.061 4.059 4.120 -0.000 0.000 0.248 114 V C 0.624 176.704 176.094 -0.023 0.000 1.054 114 V CA 1.485 63.771 62.300 -0.023 0.000 1.073 114 V CB -0.579 31.245 31.823 0.001 0.000 0.699 114 V HN 1.039 nan 8.190 nan 0.000 0.463 115 D N -1.918 118.460 120.400 -0.037 0.000 2.808 115 D HA -0.035 4.605 4.640 -0.000 0.000 0.294 115 D C 0.631 176.865 176.300 -0.109 0.000 1.278 115 D CA -0.092 53.879 54.000 -0.048 0.000 0.756 115 D CB 1.040 41.836 40.800 -0.008 0.000 1.271 115 D HN -0.029 nan 8.370 nan 0.000 0.425 116 E N -0.955 119.137 120.200 -0.180 0.000 2.233 116 E HA -0.219 4.131 4.350 -0.000 0.000 0.199 116 E C 0.045 176.221 176.600 -0.706 0.000 1.004 116 E CA 1.631 57.765 56.400 -0.443 0.000 0.819 116 E CB -0.092 29.289 29.700 -0.532 0.000 0.738 116 E HN 0.403 nan 8.360 nan 0.000 0.478 117 Y N -0.712 119.580 120.300 -0.013 0.000 2.696 117 Y HA 0.409 4.959 4.550 -0.000 0.000 0.255 117 Y C -0.576 175.338 175.900 0.023 0.000 1.103 117 Y CA -0.491 57.607 58.100 -0.002 0.000 1.126 117 Y CB 0.910 39.373 38.460 0.006 0.000 1.197 117 Y HN -0.220 nan 8.280 nan 0.000 0.574 118 K N 1.034 121.485 120.400 0.086 0.000 2.565 118 K HA 0.654 4.974 4.320 -0.000 0.000 0.251 118 K C -2.079 174.548 176.600 0.045 0.000 0.956 118 K CA -0.650 55.696 56.287 0.098 0.000 0.809 118 K CB 2.333 34.882 32.500 0.082 0.000 1.267 118 K HN -0.034 nan 8.250 nan 0.000 0.438 119 V N 4.017 123.982 119.914 0.084 0.000 2.735 119 V HA 0.627 4.747 4.120 -0.000 0.000 0.310 119 V C -1.358 174.756 176.094 0.033 0.000 1.061 119 V CA -0.774 61.513 62.300 -0.023 0.000 0.913 119 V CB 1.912 33.656 31.823 -0.132 0.000 1.005 119 V HN 0.835 nan 8.190 nan 0.000 0.428 120 R N 4.715 125.160 120.500 -0.090 0.000 2.480 120 R HA 0.520 4.859 4.340 -0.000 0.000 0.306 120 R C -1.893 174.333 176.300 -0.124 0.000 0.958 120 R CA -0.487 55.619 56.100 0.010 0.000 0.861 120 R CB 1.349 31.661 30.300 0.020 0.000 1.171 120 R HN 0.620 nan 8.270 nan 0.000 0.445 121 F N 3.388 123.336 119.950 -0.004 0.000 2.410 121 F HA 0.468 4.995 4.527 -0.000 0.000 0.349 121 F C 0.767 176.561 175.800 -0.009 0.000 1.117 121 F CA -0.505 57.460 58.000 -0.058 0.000 1.104 121 F CB 1.268 40.208 39.000 -0.100 0.000 1.122 121 F HN 0.220 nan 8.300 nan 0.000 0.483 122 R N 4.297 124.874 120.500 0.130 0.000 2.312 122 R HA 0.637 4.977 4.340 -0.000 0.000 0.311 122 R C -0.931 175.445 176.300 0.127 0.000 1.004 122 R CA -0.729 55.431 56.100 0.100 0.000 0.902 122 R CB 1.290 31.622 30.300 0.052 0.000 1.073 122 R HN 0.598 nan 8.270 nan 0.000 0.457 123 L N 0.901 122.195 121.223 0.118 0.000 2.334 123 L HA 0.348 4.688 4.340 -0.000 0.000 0.270 123 L C 1.151 178.093 176.870 0.119 0.000 1.018 123 L CA -0.558 54.365 54.840 0.138 0.000 0.811 123 L CB 1.935 44.071 42.059 0.129 0.000 1.271 123 L HN 0.683 nan 8.230 nan 0.000 0.443 124 S N -0.904 114.882 115.700 0.143 0.000 2.597 124 S HA 0.266 4.736 4.470 -0.000 0.000 0.224 124 S C 0.031 174.704 174.600 0.122 0.000 0.955 124 S CA -0.280 57.980 58.200 0.102 0.000 0.933 124 S CB -0.062 63.176 63.200 0.063 0.000 0.788 124 S HN 0.749 nan 8.310 nan 0.000 0.488 125 E N -0.208 120.088 120.200 0.160 0.000 2.472 125 E HA 0.437 4.787 4.350 -0.000 0.000 0.290 125 E C -1.541 175.140 176.600 0.135 0.000 1.059 125 E CA -0.554 55.944 56.400 0.164 0.000 0.861 125 E CB 1.290 31.141 29.700 0.251 0.000 1.213 125 E HN 0.281 nan 8.360 nan 0.000 0.425 126 A N 3.570 126.445 122.820 0.092 0.000 2.476 126 A HA 0.332 4.652 4.320 -0.000 0.000 0.275 126 A C -0.217 177.384 177.584 0.028 0.000 1.133 126 A CA 0.361 52.430 52.037 0.053 0.000 0.797 126 A CB -0.271 18.757 19.000 0.047 0.000 1.081 126 A HN 0.404 nan 8.150 nan 0.000 0.510 127 N N 1.402 120.078 118.700 -0.041 0.000 2.655 127 N HA 0.072 4.811 4.740 -0.000 0.000 0.277 127 N C 0.341 175.714 175.510 -0.228 0.000 1.177 127 N CA 0.209 53.164 53.050 -0.158 0.000 0.882 127 N CB 1.138 39.424 38.487 -0.335 0.000 1.481 127 N HN 0.393 nan 8.380 nan 0.000 0.547 128 S N 1.721 117.333 115.700 -0.147 0.000 2.595 128 S HA -0.049 4.420 4.470 -0.000 0.000 0.235 128 S C 0.965 175.411 174.600 -0.256 0.000 0.974 128 S CA 0.486 58.610 58.200 -0.126 0.000 0.942 128 S CB -0.398 62.789 63.200 -0.022 0.000 0.766 128 S HN 0.690 nan 8.310 nan 0.000 0.536 129 N N 0.490 118.840 118.700 -0.583 0.000 2.280 129 N HA 0.070 4.810 4.740 -0.000 0.000 0.192 129 N C 1.104 176.248 175.510 -0.610 0.000 1.109 129 N CA 0.245 52.821 53.050 -0.789 0.000 0.855 129 N CB 0.178 37.670 38.487 -1.657 0.000 0.974 129 N HN 0.282 nan 8.380 nan 0.000 0.482 130 V N 2.569 122.147 119.914 -0.560 0.000 2.407 130 V HA -0.109 4.011 4.120 -0.000 0.000 0.248 130 V C -0.786 175.086 176.094 -0.370 0.000 1.055 130 V CA 1.613 63.615 62.300 -0.497 0.000 1.049 130 V CB -1.179 30.422 31.823 -0.370 0.000 0.662 130 V HN 0.332 nan 8.190 nan 0.000 0.455 131 P HA -0.229 nan 4.420 nan 0.000 0.216 131 P C 1.565 178.706 177.300 -0.266 0.000 1.150 131 P CA 1.748 64.670 63.100 -0.296 0.000 0.837 131 P CB -0.122 31.238 31.700 -0.567 0.000 0.786 132 Y N 2.046 122.008 120.300 -0.564 0.000 2.145 132 Y HA -0.173 4.377 4.550 -0.000 0.000 0.286 132 Y C 2.380 178.014 175.900 -0.442 0.000 1.145 132 Y CA 1.738 59.315 58.100 -0.871 0.000 1.148 132 Y CB -0.599 37.289 38.460 -0.953 0.000 0.981 132 Y HN -0.168 nan 8.280 nan 0.000 0.507 133 E N 0.626 120.555 120.200 -0.451 0.000 2.077 133 E HA -0.218 4.131 4.350 -0.000 0.000 0.193 133 E C 2.331 178.767 176.600 -0.273 0.000 0.989 133 E CA 1.714 57.898 56.400 -0.359 0.000 0.800 133 E CB -0.443 29.112 29.700 -0.242 0.000 0.746 133 E HN 0.636 nan 8.360 nan 0.000 0.452 134 I N 1.867 122.278 120.570 -0.264 0.000 2.286 134 I HA -0.270 3.899 4.170 -0.000 0.000 0.248 134 I C 2.680 178.712 176.117 -0.142 0.000 1.115 134 I CA 1.376 62.553 61.300 -0.205 0.000 1.392 134 I CB -0.420 37.235 38.000 -0.576 0.000 1.065 134 I HN 0.080 nan 8.210 nan 0.000 0.418 135 S N 1.338 116.929 115.700 -0.181 0.000 2.419 135 S HA -0.125 4.345 4.470 -0.000 0.000 0.233 135 S C 1.849 176.399 174.600 -0.084 0.000 1.016 135 S CA 0.959 59.118 58.200 -0.068 0.000 0.974 135 S CB -0.723 62.541 63.200 0.106 0.000 0.786 135 S HN 0.488 nan 8.310 nan 0.000 0.492 136 L N 0.914 122.027 121.223 -0.183 0.000 2.492 136 L HA 0.239 4.578 4.340 -0.000 0.000 0.223 136 L C 0.113 176.955 176.870 -0.047 0.000 1.132 136 L CA -0.010 54.755 54.840 -0.125 0.000 0.850 136 L CB -0.421 41.525 42.059 -0.189 0.000 0.966 136 L HN 0.304 nan 8.230 nan 0.000 0.454 137 I N 2.656 123.210 120.570 -0.026 0.000 2.337 137 I HA 0.193 4.363 4.170 -0.000 0.000 0.291 137 I C -1.890 174.233 176.117 0.009 0.000 1.046 137 I CA -2.532 58.744 61.300 -0.041 0.000 1.324 137 I CB 0.073 37.965 38.000 -0.179 0.000 1.409 137 I HN -0.142 nan 8.210 nan 0.000 0.494 138 P HA 0.201 nan 4.420 nan 0.000 0.268 138 P C -0.654 176.658 177.300 0.019 0.000 1.205 138 P CA -0.130 62.971 63.100 0.002 0.000 0.771 138 P CB 1.245 32.861 31.700 -0.140 0.000 0.858 139 I N 3.630 124.264 120.570 0.106 0.000 2.354 139 I HA 0.221 4.391 4.170 -0.000 0.000 0.292 139 I C 0.917 177.195 176.117 0.268 0.000 0.989 139 I CA -0.928 60.517 61.300 0.242 0.000 1.188 139 I CB 1.354 39.630 38.000 0.459 0.000 1.342 139 I HN 0.186 nan 8.210 nan 0.000 0.457 140 V N 2.988 122.950 119.914 0.080 0.000 3.267 140 V HA 0.893 5.013 4.120 -0.000 0.000 0.317 140 V C 0.392 176.546 176.094 0.100 0.000 1.131 140 V CA -1.018 61.246 62.300 -0.060 0.000 1.031 140 V CB 1.530 32.754 31.823 -0.998 0.000 1.159 140 V HN 0.781 nan 8.190 nan 0.000 0.454 141 A N 0.613 123.203 122.820 -0.383 0.000 2.302 141 A HA 0.357 4.677 4.320 -0.000 0.000 0.295 141 A C 1.086 178.445 177.584 -0.375 0.000 1.235 141 A CA -0.126 51.427 52.037 -0.806 0.000 0.876 141 A CB 0.188 18.231 19.000 -1.596 0.000 1.133 141 A HN 0.996 nan 8.150 nan 0.000 0.533 142 E N 2.437 122.483 120.200 -0.256 0.000 2.085 142 E HA -0.274 4.076 4.350 -0.000 0.000 0.194 142 E C 1.433 177.790 176.600 -0.404 0.000 0.994 142 E CA 2.204 58.296 56.400 -0.514 0.000 0.801 142 E CB -0.240 29.297 29.700 -0.271 0.000 0.743 142 E HN 1.045 nan 8.360 nan 0.000 0.453 143 H N -1.659 117.248 119.070 -0.271 0.000 2.561 143 H HA 0.030 4.586 4.556 -0.000 0.000 0.278 143 H C 1.663 176.884 175.328 -0.178 0.000 1.014 143 H CA 1.024 56.954 56.048 -0.197 0.000 1.211 143 H CB 0.098 29.776 29.762 -0.140 0.000 1.365 143 H HN -0.018 nan 8.280 nan 0.000 0.594 144 V N -1.103 118.462 119.914 -0.582 0.000 2.743 144 V HA -0.042 4.077 4.120 -0.000 0.000 0.237 144 V C 1.494 177.404 176.094 -0.307 0.000 1.113 144 V CA 0.475 62.521 62.300 -0.423 0.000 1.141 144 V CB -0.474 31.096 31.823 -0.422 0.000 0.873 144 V HN 0.416 nan 8.190 nan 0.000 0.486 145 W N 2.211 123.279 121.300 -0.385 0.000 2.465 145 W HA -0.050 4.610 4.660 -0.000 0.000 0.268 145 W C 2.386 178.763 176.519 -0.236 0.000 1.242 145 W CA 1.404 58.590 57.345 -0.265 0.000 1.248 145 W CB -0.366 29.084 29.460 -0.017 0.000 1.118 145 W HN 0.344 nan 8.180 nan 0.000 0.587 146 K N -0.464 119.812 120.400 -0.206 0.000 2.209 146 K HA -0.148 4.172 4.320 -0.000 0.000 0.204 146 K C 0.667 177.220 176.600 -0.079 0.000 1.048 146 K CA 1.834 58.042 56.287 -0.132 0.000 0.940 146 K CB -0.397 31.981 32.500 -0.203 0.000 0.729 146 K HN 0.025 nan 8.250 nan 0.000 0.451 147 D N 1.243 121.551 120.400 -0.152 0.000 2.342 147 D HA 0.076 4.716 4.640 -0.000 0.000 0.221 147 D C -0.622 175.533 176.300 -0.242 0.000 1.101 147 D CA 0.079 53.983 54.000 -0.160 0.000 0.837 147 D CB 0.767 41.475 40.800 -0.153 0.000 0.938 147 D HN -0.030 nan 8.370 nan 0.000 0.508 148 V N 1.819 121.546 119.914 -0.312 0.000 2.334 148 V HA 0.074 4.193 4.120 -0.000 0.000 0.267 148 V C 1.556 177.499 176.094 -0.251 0.000 1.040 148 V CA -0.340 61.657 62.300 -0.504 0.000 0.866 148 V CB 1.733 32.992 31.823 -0.940 0.000 1.019 148 V HN -0.061 nan 8.190 nan 0.000 0.468 149 K N 3.128 123.415 120.400 -0.188 0.000 2.148 149 K HA -0.095 4.224 4.320 -0.000 0.000 0.204 149 K C 0.146 176.715 176.600 -0.052 0.000 1.050 149 K CA 1.474 57.708 56.287 -0.088 0.000 0.942 149 K CB 0.287 32.748 32.500 -0.067 0.000 0.724 149 K HN 0.897 nan 8.250 nan 0.000 0.446 150 D N -0.333 120.028 120.400 -0.065 0.000 2.441 150 D HA 0.103 4.743 4.640 -0.000 0.000 0.287 150 D C -2.034 174.306 176.300 0.067 0.000 1.198 150 D CA -2.003 52.003 54.000 0.010 0.000 0.894 150 D CB 1.495 42.312 40.800 0.028 0.000 1.070 150 D HN -0.015 nan 8.370 nan 0.000 0.499 151 P HA -0.186 nan 4.420 nan 0.000 0.225 151 P C 1.106 178.598 177.300 0.320 0.000 1.148 151 P CA 1.127 64.405 63.100 0.297 0.000 0.779 151 P CB 0.068 31.999 31.700 0.384 0.000 0.780 152 T N -4.166 110.502 114.554 0.189 0.000 3.100 152 T HA 0.023 4.372 4.350 -0.000 0.000 0.253 152 T C 1.449 176.230 174.700 0.135 0.000 1.118 152 T CA 1.341 63.533 62.100 0.154 0.000 1.058 152 T CB -0.959 67.963 68.868 0.089 0.000 0.953 152 T HN 0.242 nan 8.240 nan 0.000 0.515 153 T N -2.043 112.596 114.554 0.142 0.000 3.016 153 T HA 0.352 4.701 4.350 -0.000 0.000 0.271 153 T C 0.076 174.853 174.700 0.128 0.000 0.968 153 T CA -0.696 61.466 62.100 0.103 0.000 0.891 153 T CB -0.530 68.377 68.868 0.066 0.000 1.149 153 T HN 0.197 nan 8.240 nan 0.000 0.524 154 F N 4.613 124.555 119.950 -0.013 0.000 2.578 154 F HA 0.355 4.882 4.527 -0.000 0.000 0.376 154 F C 1.507 177.277 175.800 -0.050 0.000 1.085 154 F CA 0.174 58.126 58.000 -0.080 0.000 1.260 154 F CB 1.229 40.120 39.000 -0.182 0.000 1.095 154 F HN 0.220 nan 8.300 nan 0.000 0.573 155 T N 1.071 115.294 114.554 -0.552 0.000 3.086 155 T HA 0.074 4.424 4.350 -0.000 0.000 0.250 155 T C 0.918 175.200 174.700 -0.697 0.000 1.074 155 T CA 0.259 62.065 62.100 -0.489 0.000 0.988 155 T CB -0.839 67.829 68.868 -0.332 0.000 0.988 155 T HN 0.840 nan 8.240 nan 0.000 0.530 156 N N 1.506 119.280 118.700 -1.542 0.000 2.699 156 N HA -0.221 4.519 4.740 -0.000 0.000 0.256 156 N C 0.372 175.691 175.510 -0.319 0.000 0.993 156 N CA 0.471 52.876 53.050 -1.075 0.000 0.759 156 N CB -0.517 37.758 38.487 -0.353 0.000 0.906 156 N HN 0.660 nan 8.380 nan 0.000 0.541 157 E N -0.152 119.854 120.200 -0.324 0.000 2.204 157 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 157 E C -0.165 176.430 176.600 -0.007 0.000 0.990 157 E CA 1.128 57.443 56.400 -0.141 0.000 0.821 157 E CB -0.024 29.552 29.700 -0.206 0.000 0.750 157 E HN 0.575 nan 8.360 nan 0.000 0.477 158 N N 1.336 120.025 118.700 -0.019 0.000 2.813 158 N HA 0.141 4.881 4.740 -0.000 0.000 0.282 158 N C -2.667 172.853 175.510 0.017 0.000 1.748 158 N CA -1.030 52.020 53.050 -0.000 0.000 0.860 158 N CB 0.926 39.414 38.487 0.002 0.000 1.204 158 N HN 0.016 nan 8.380 nan 0.000 0.490 159 P HA -0.051 nan 4.420 nan 0.000 0.265 159 P C -0.566 176.758 177.300 0.040 0.000 1.187 159 P CA 0.112 63.238 63.100 0.044 0.000 0.766 159 P CB 1.174 32.824 31.700 -0.084 0.000 0.820 160 V N 3.414 123.406 119.914 0.131 0.000 2.326 160 V HA 0.583 4.703 4.120 -0.000 0.000 0.281 160 V C 0.875 177.152 176.094 0.306 0.000 1.015 160 V CA -0.079 62.328 62.300 0.177 0.000 0.823 160 V CB 1.089 32.979 31.823 0.112 0.000 1.009 160 V HN 0.895 nan 8.190 nan 0.000 0.436 161 G N 2.330 111.291 108.800 0.268 0.000 2.714 161 G HA2 0.564 4.524 3.960 -0.000 0.000 0.292 161 G HA3 0.564 4.524 3.960 -0.000 0.000 0.292 161 G C 0.595 175.666 174.900 0.286 0.000 1.308 161 G CA 0.282 45.528 45.100 0.243 0.000 0.964 161 G HN 0.586 nan 8.290 nan 0.000 0.484 162 T N -2.606 111.921 114.554 -0.045 0.000 3.022 162 T HA 0.329 4.679 4.350 -0.000 0.000 0.250 162 T C 1.318 176.061 174.700 0.072 0.000 1.060 162 T CA 0.666 62.628 62.100 -0.231 0.000 1.013 162 T CB 0.199 68.628 68.868 -0.732 0.000 0.982 162 T HN 0.799 nan 8.240 nan 0.000 0.508 163 G N 2.646 111.468 108.800 0.037 0.000 2.683 163 G HA2 0.395 4.355 3.960 -0.000 0.000 0.260 163 G HA3 0.395 4.355 3.960 -0.000 0.000 0.260 163 G C -1.113 173.614 174.900 -0.289 0.000 1.238 163 G CA -1.037 44.088 45.100 0.041 0.000 0.934 163 G HN 0.098 nan 8.290 nan 0.000 0.534 164 P HA 0.004 nan 4.420 nan 0.000 0.221 164 P C -0.224 176.395 177.300 -1.134 0.000 1.150 164 P CA 0.959 63.083 63.100 -1.627 0.000 0.800 164 P CB 0.191 30.942 31.700 -1.582 0.000 0.787 165 F N 0.459 120.266 119.950 -0.238 0.000 2.513 165 F HA 0.295 4.822 4.527 -0.000 0.000 0.358 165 F C 1.333 177.051 175.800 -0.138 0.000 1.118 165 F CA -0.455 57.439 58.000 -0.176 0.000 1.037 165 F CB 1.142 40.022 39.000 -0.201 0.000 1.276 165 F HN -0.222 nan 8.300 nan 0.000 0.446 166 T N -2.062 112.498 114.554 0.009 0.000 2.959 166 T HA 0.226 4.576 4.350 -0.000 0.000 0.254 166 T C 0.232 174.895 174.700 -0.062 0.000 1.003 166 T CA 0.073 62.139 62.100 -0.058 0.000 0.950 166 T CB -0.087 68.761 68.868 -0.034 0.000 1.090 166 T HN 0.090 nan 8.240 nan 0.000 0.503 167 V N 3.146 123.060 119.914 0.000 0.000 2.455 167 V HA 0.355 4.475 4.120 -0.000 0.000 0.273 167 V C -0.079 176.031 176.094 0.026 0.000 1.045 167 V CA -0.742 61.567 62.300 0.015 0.000 0.976 167 V CB 0.235 32.084 31.823 0.043 0.000 0.993 167 V HN 0.358 nan 8.190 nan 0.000 0.475 168 I N 4.891 125.476 120.570 0.026 0.000 2.260 168 I HA 0.098 4.268 4.170 -0.000 0.000 0.297 168 I C 1.476 177.670 176.117 0.128 0.000 1.143 168 I CA 0.398 61.764 61.300 0.109 0.000 1.271 168 I CB 0.207 38.290 38.000 0.138 0.000 1.461 168 I HN 0.663 nan 8.210 nan 0.000 0.530 169 D N 3.467 123.942 120.400 0.125 0.000 2.194 169 D HA -0.049 4.590 4.640 -0.000 0.000 0.204 169 D C -0.072 176.296 176.300 0.113 0.000 0.964 169 D CA 1.032 55.092 54.000 0.099 0.000 0.846 169 D CB 0.689 41.533 40.800 0.074 0.000 0.962 169 D HN 0.399 nan 8.370 nan 0.000 0.490 170 T N -0.286 114.359 114.554 0.153 0.000 3.032 170 T HA 0.413 4.762 4.350 -0.000 0.000 0.312 170 T C -1.467 173.363 174.700 0.217 0.000 1.078 170 T CA -0.588 61.597 62.100 0.143 0.000 1.028 170 T CB 1.718 70.629 68.868 0.072 0.000 1.091 170 T HN -0.038 nan 8.240 nan 0.000 0.457 171 F N 3.247 123.254 119.950 0.095 0.000 2.617 171 F HA 0.588 5.115 4.527 -0.000 0.000 0.325 171 F C -0.027 175.805 175.800 0.053 0.000 1.179 171 F CA -0.164 57.893 58.000 0.096 0.000 0.965 171 F CB 1.535 40.565 39.000 0.050 0.000 1.232 171 F HN 0.699 nan 8.300 nan 0.000 0.461 172 T N 2.561 117.029 114.554 -0.144 0.000 2.841 172 T HA 0.468 4.817 4.350 -0.000 0.000 0.296 172 T C -2.589 172.046 174.700 -0.109 0.000 1.166 172 T CA -1.828 60.262 62.100 -0.018 0.000 1.007 172 T CB 2.140 70.997 68.868 -0.018 0.000 1.253 172 T HN 0.194 nan 8.240 nan 0.000 0.511 173 P HA -0.069 nan 4.420 nan 0.000 0.220 173 P C 0.789 178.059 177.300 -0.051 0.000 1.148 173 P CA 1.236 64.324 63.100 -0.019 0.000 0.803 173 P CB 0.113 31.821 31.700 0.014 0.000 0.782 174 Q N -1.178 118.588 119.800 -0.056 0.000 2.384 174 Q HA 0.340 4.680 4.340 -0.000 0.000 0.207 174 Q C 0.582 176.534 176.000 -0.079 0.000 0.904 174 Q CA 0.255 56.028 55.803 -0.049 0.000 0.933 174 Q CB 0.383 29.101 28.738 -0.033 0.000 1.077 174 Q HN 0.174 nan 8.270 nan 0.000 0.522 175 L N -0.365 120.779 121.223 -0.131 0.000 2.643 175 L HA 0.445 4.785 4.340 -0.000 0.000 0.256 175 L C -2.146 174.601 176.870 -0.205 0.000 0.931 175 L CA -1.124 53.620 54.840 -0.160 0.000 0.895 175 L CB 1.213 43.206 42.059 -0.110 0.000 1.430 175 L HN 0.122 nan 8.230 nan 0.000 0.419 176 Y N 2.847 122.954 120.300 -0.321 0.000 2.524 176 Y HA 0.884 5.433 4.550 -0.000 0.000 0.347 176 Y C -1.546 174.287 175.900 -0.112 0.000 1.005 176 Y CA -1.463 56.452 58.100 -0.309 0.000 1.025 176 Y CB 1.454 39.562 38.460 -0.587 0.000 1.275 176 Y HN 0.454 nan 8.280 nan 0.000 0.460 177 I N 3.592 124.237 120.570 0.125 0.000 2.418 177 I HA 0.318 4.487 4.170 -0.000 0.000 0.287 177 I C -0.883 175.311 176.117 0.129 0.000 1.008 177 I CA -0.799 60.518 61.300 0.028 0.000 1.104 177 I CB 2.107 40.107 38.000 0.000 0.000 1.264 177 I HN 0.689 nan 8.210 nan 0.000 0.438 178 Q N 5.351 125.183 119.800 0.052 0.000 2.398 178 Q HA 0.434 4.774 4.340 -0.000 0.000 0.251 178 Q C -1.209 174.786 176.000 -0.008 0.000 0.999 178 Q CA -0.465 55.372 55.803 0.056 0.000 0.874 178 Q CB 1.295 30.065 28.738 0.054 0.000 1.215 178 Q HN 0.734 nan 8.270 nan 0.000 0.470 179 c N 2.523 121.170 118.600 0.078 0.000 2.349 179 c HA 0.461 5.030 4.570 -0.000 0.000 0.361 179 c C 0.244 174.464 174.090 0.218 0.000 1.189 179 c CA -0.801 55.616 56.329 0.148 0.000 2.155 179 c CB 1.017 43.582 42.510 0.091 0.000 2.336 179 c HN 0.917 nan 8.230 nan 0.000 0.540 180 R N 2.370 123.015 120.500 0.241 0.000 2.478 180 R HA -0.163 4.177 4.340 -0.000 0.000 0.277 180 R C 0.097 176.378 176.300 -0.032 0.000 0.913 180 R CA 0.607 56.722 56.100 0.026 0.000 1.125 180 R CB 0.151 30.460 30.300 0.015 0.000 0.863 180 R HN 0.793 nan 8.270 nan 0.000 0.426 181 N N 6.625 125.238 118.700 -0.144 0.000 2.405 181 N HA 0.051 4.791 4.740 -0.000 0.000 0.260 181 N C -1.761 173.762 175.510 0.022 0.000 1.152 181 N CA -2.035 50.987 53.050 -0.046 0.000 0.948 181 N CB 1.162 39.605 38.487 -0.072 0.000 1.111 181 N HN 0.436 nan 8.380 nan 0.000 0.485 182 P HA -0.065 nan 4.420 nan 0.000 0.228 182 P C -0.193 177.156 177.300 0.080 0.000 1.151 182 P CA 0.952 64.087 63.100 0.059 0.000 0.770 182 P CB 0.483 32.218 31.700 0.057 0.000 0.786 183 N N -1.626 117.142 118.700 0.112 0.000 2.235 183 N HA 0.021 4.761 4.740 -0.000 0.000 0.231 183 N C -0.075 175.530 175.510 0.157 0.000 1.177 183 N CA -0.505 52.619 53.050 0.123 0.000 0.874 183 N CB -0.216 38.355 38.487 0.139 0.000 1.097 183 N HN 0.096 nan 8.380 nan 0.000 0.518 184 Y N 2.852 123.142 120.300 -0.018 0.000 2.802 184 Y HA -0.165 4.385 4.550 -0.000 0.000 0.333 184 Y C 1.644 177.501 175.900 -0.072 0.000 1.244 184 Y CA -0.437 57.623 58.100 -0.067 0.000 1.558 184 Y CB 0.180 38.528 38.460 -0.187 0.000 1.233 184 Y HN 0.245 nan 8.280 nan 0.000 0.547 185 W N 4.291 125.308 121.300 -0.472 0.000 2.387 185 W HA -0.150 4.510 4.660 -0.000 0.000 0.272 185 W C -0.107 176.098 176.519 -0.523 0.000 1.224 185 W CA 1.225 58.320 57.345 -0.417 0.000 1.210 185 W CB -0.184 29.067 29.460 -0.350 0.000 1.125 185 W HN 0.578 nan 8.180 nan 0.000 0.572 186 D N 0.173 119.333 120.400 -2.068 0.000 2.788 186 D HA 0.369 5.009 4.640 -0.000 0.000 0.289 186 D C 1.825 177.678 176.300 -0.746 0.000 1.340 186 D CA 0.416 53.432 54.000 -1.639 0.000 0.831 186 D CB 0.235 39.680 40.800 -2.258 0.000 1.103 186 D HN -0.010 nan 8.370 nan 0.000 0.476 187 A N 0.347 122.934 122.820 -0.387 0.000 1.986 187 A HA -0.087 4.233 4.320 -0.000 0.000 0.220 187 A C 2.294 179.829 177.584 -0.081 0.000 1.171 187 A CA 1.772 53.787 52.037 -0.036 0.000 0.640 187 A CB -0.583 18.411 19.000 -0.010 0.000 0.811 187 A HN 0.385 nan 8.150 nan 0.000 0.451 188 A N -0.137 122.599 122.820 -0.140 0.000 1.978 188 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 188 A C 1.763 179.293 177.584 -0.090 0.000 1.170 188 A CA 1.816 53.793 52.037 -0.100 0.000 0.636 188 A CB -0.641 18.296 19.000 -0.105 0.000 0.810 188 A HN 0.701 nan 8.150 nan 0.000 0.448 189 N N -1.259 117.366 118.700 -0.126 0.000 2.299 189 N HA 0.231 4.971 4.740 -0.000 0.000 0.187 189 N C -0.045 175.435 175.510 -0.050 0.000 1.099 189 N CA -0.149 52.849 53.050 -0.087 0.000 0.867 189 N CB 0.337 38.754 38.487 -0.117 0.000 0.974 189 N HN 0.389 nan 8.380 nan 0.000 0.477 190 L N 1.442 122.640 121.223 -0.041 0.000 2.259 190 L HA 0.216 4.556 4.340 -0.000 0.000 0.288 190 L C 0.224 177.077 176.870 -0.027 0.000 1.051 190 L CA 0.079 54.890 54.840 -0.048 0.000 0.824 190 L CB 0.740 42.733 42.059 -0.109 0.000 1.206 190 L HN 0.188 nan 8.230 nan 0.000 0.429 191 E N 2.822 123.021 120.200 -0.001 0.000 2.431 191 E HA 0.075 4.424 4.350 -0.000 0.000 0.200 191 E C -0.003 176.653 176.600 0.093 0.000 0.995 191 E CA -0.017 56.402 56.400 0.033 0.000 0.915 191 E CB 1.043 30.759 29.700 0.027 0.000 0.930 191 E HN 0.404 nan 8.360 nan 0.000 0.496 192 V N 2.787 122.771 119.914 0.116 0.000 2.488 192 V HA -0.018 4.102 4.120 -0.000 0.000 0.277 192 V C 0.750 176.992 176.094 0.248 0.000 1.046 192 V CA 0.140 62.554 62.300 0.189 0.000 0.986 192 V CB 1.330 33.215 31.823 0.103 0.000 0.989 192 V HN 0.093 nan 8.190 nan 0.000 0.475 193 D N 2.130 122.653 120.400 0.205 0.000 2.183 193 D HA 0.066 4.706 4.640 -0.000 0.000 0.205 193 D C 0.380 176.823 176.300 0.239 0.000 0.962 193 D CA 0.974 55.089 54.000 0.191 0.000 0.849 193 D CB 0.414 41.282 40.800 0.113 0.000 0.978 193 D HN 0.587 nan 8.370 nan 0.000 0.488 194 c N -0.011 118.636 118.600 0.078 0.000 3.171 194 c HA 0.522 5.091 4.570 -0.000 0.000 0.308 194 c C -0.990 172.827 174.090 -0.454 0.000 1.334 194 c CA -0.920 55.331 56.329 -0.129 0.000 1.473 194 c CB 1.869 44.347 42.510 -0.053 0.000 1.866 194 c HN 0.062 nan 8.230 nan 0.000 0.465 195 L N 2.267 123.124 121.223 -0.611 0.000 2.294 195 L HA 0.523 4.863 4.340 -0.000 0.000 0.283 195 L C 0.265 176.916 176.870 -0.365 0.000 1.015 195 L CA 0.064 54.522 54.840 -0.636 0.000 0.831 195 L CB 0.529 42.059 42.059 -0.883 0.000 1.217 195 L HN 0.595 nan 8.230 nan 0.000 0.420 196 R N 3.189 123.527 120.500 -0.270 0.000 2.202 196 R HA 0.580 4.920 4.340 -0.000 0.000 0.334 196 R C -1.286 174.854 176.300 -0.267 0.000 1.036 196 R CA -0.345 55.631 56.100 -0.208 0.000 0.878 196 R CB 0.742 30.978 30.300 -0.106 0.000 1.067 196 R HN 0.402 nan 8.270 nan 0.000 0.457 197 V N 7.719 127.389 119.914 -0.408 0.000 2.284 197 V HA 0.336 4.456 4.120 -0.000 0.000 0.274 197 V C -2.058 173.819 176.094 -0.362 0.000 1.023 197 V CA -1.705 60.296 62.300 -0.499 0.000 0.808 197 V CB 1.124 32.280 31.823 -1.112 0.000 1.035 197 V HN 0.785 nan 8.190 nan 0.000 0.445 198 P HA 0.197 nan 4.420 nan 0.000 0.288 198 P C -0.797 176.496 177.300 -0.012 0.000 1.267 198 P CA -0.484 62.563 63.100 -0.088 0.000 0.815 198 P CB 1.433 33.101 31.700 -0.053 0.000 0.989 199 Q N 3.456 123.257 119.800 0.002 0.000 2.296 199 Q HA 0.243 4.583 4.340 -0.000 0.000 0.263 199 Q C -1.032 174.990 176.000 0.037 0.000 1.026 199 Q CA 0.178 56.026 55.803 0.075 0.000 0.912 199 Q CB -0.152 28.611 28.738 0.041 0.000 1.198 199 Q HN 0.466 nan 8.270 nan 0.000 0.407 200 I N 3.724 124.324 120.570 0.051 0.000 2.468 200 I HA 0.226 4.396 4.170 -0.000 0.000 0.284 200 I C 0.647 176.614 176.117 -0.250 0.000 1.038 200 I CA -0.487 60.741 61.300 -0.120 0.000 1.083 200 I CB 1.731 39.644 38.000 -0.146 0.000 1.223 200 I HN 0.697 nan 8.210 nan 0.000 0.443 201 A N 5.899 128.577 122.820 -0.237 0.000 1.969 201 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 201 A C 0.745 178.106 177.584 -0.373 0.000 1.169 201 A CA 1.220 53.138 52.037 -0.198 0.000 0.635 201 A CB -0.268 18.674 19.000 -0.096 0.000 0.810 201 A HN 0.866 nan 8.150 nan 0.000 0.445 202 N N -3.647 114.657 118.700 -0.660 0.000 3.243 202 N HA 0.118 4.858 4.740 -0.000 0.000 0.280 202 N C -0.556 174.551 175.510 -0.672 0.000 1.545 202 N CA -0.708 51.991 53.050 -0.585 0.000 0.854 202 N CB 0.127 38.506 38.487 -0.180 0.000 1.612 202 N HN -0.116 nan 8.380 nan 0.000 0.577 203 N N 0.473 119.104 118.700 -0.115 0.000 2.223 203 N HA -0.115 4.625 4.740 -0.000 0.000 0.185 203 N C 0.531 176.009 175.510 -0.053 0.000 1.016 203 N CA 1.393 54.477 53.050 0.057 0.000 0.863 203 N CB -0.498 38.122 38.487 0.222 0.000 0.983 203 N HN 0.480 nan 8.380 nan 0.000 0.429 204 D N 0.958 121.311 120.400 -0.079 0.000 2.084 204 D HA -0.100 4.540 4.640 -0.000 0.000 0.194 204 D C 2.033 178.268 176.300 -0.108 0.000 0.990 204 D CA 1.021 54.977 54.000 -0.074 0.000 0.826 204 D CB -0.100 40.663 40.800 -0.061 0.000 0.971 204 D HN 0.337 nan 8.370 nan 0.000 0.453 205 Q N -0.300 119.400 119.800 -0.167 0.000 2.124 205 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 205 Q C 2.307 178.212 176.000 -0.158 0.000 0.977 205 Q CA 0.618 56.322 55.803 -0.164 0.000 0.850 205 Q CB -0.121 28.492 28.738 -0.207 0.000 0.901 205 Q HN 0.302 nan 8.270 nan 0.000 0.429 206 L N 0.521 121.620 121.223 -0.207 0.000 2.017 206 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 206 L C 2.201 179.023 176.870 -0.080 0.000 1.073 206 L CA 1.064 55.837 54.840 -0.111 0.000 0.745 206 L CB -0.414 41.649 42.059 0.006 0.000 0.894 206 L HN 0.193 nan 8.230 nan 0.000 0.432 207 L N 0.343 121.515 121.223 -0.084 0.000 1.990 207 L HA -0.145 4.195 4.340 -0.000 0.000 0.213 207 L C 2.384 179.219 176.870 -0.058 0.000 1.072 207 L CA 2.361 57.149 54.840 -0.088 0.000 0.755 207 L CB -1.560 40.448 42.059 -0.087 0.000 0.889 207 L HN 0.348 nan 8.230 nan 0.000 0.432 208 G N -1.029 107.739 108.800 -0.052 0.000 2.469 208 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.219 208 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.219 208 G C 1.712 176.600 174.900 -0.021 0.000 1.150 208 G CA 1.132 46.212 45.100 -0.033 0.000 0.763 208 G HN 0.460 nan 8.290 nan 0.000 0.561 209 K N -0.491 119.888 120.400 -0.034 0.000 2.167 209 K HA 0.249 4.569 4.320 -0.000 0.000 0.203 209 K C 2.292 178.884 176.600 -0.013 0.000 1.052 209 K CA 0.353 56.627 56.287 -0.021 0.000 0.956 209 K CB -0.087 32.395 32.500 -0.030 0.000 0.735 209 K HN 0.342 nan 8.250 nan 0.000 0.451 210 I N 0.948 121.494 120.570 -0.040 0.000 2.353 210 I HA -0.190 3.979 4.170 -0.000 0.000 0.248 210 I C 1.918 178.056 176.117 0.035 0.000 1.119 210 I CA 0.813 62.072 61.300 -0.069 0.000 1.417 210 I CB 0.194 38.066 38.000 -0.213 0.000 1.078 210 I HN -0.009 nan 8.210 nan 0.000 0.421 211 V N -1.764 118.201 119.914 0.086 0.000 2.667 211 V HA -0.178 3.942 4.120 -0.000 0.000 0.252 211 V C 1.830 178.043 176.094 0.198 0.000 1.065 211 V CA 2.045 64.463 62.300 0.198 0.000 1.083 211 V CB -1.265 30.628 31.823 0.117 0.000 0.692 211 V HN 0.497 nan 8.190 nan 0.000 0.468 212 N N 0.274 119.040 118.700 0.110 0.000 2.521 212 N HA -0.104 4.635 4.740 -0.000 0.000 0.188 212 N C 0.938 176.524 175.510 0.126 0.000 1.146 212 N CA 0.726 53.830 53.050 0.090 0.000 0.893 212 N CB 0.111 38.624 38.487 0.043 0.000 0.975 212 N HN 0.575 nan 8.380 nan 0.000 0.451 213 S N 0.391 116.195 115.700 0.174 0.000 3.593 213 S HA -0.173 4.297 4.470 -0.000 0.000 0.301 213 S C 0.621 175.281 174.600 0.100 0.000 1.209 213 S CA 1.041 59.353 58.200 0.188 0.000 0.878 213 S CB -1.688 61.707 63.200 0.325 0.000 1.000 213 S HN 0.816 nan 8.310 nan 0.000 0.578 214 E N 0.234 120.469 120.200 0.059 0.000 2.463 214 E HA 0.309 4.659 4.350 -0.000 0.000 0.193 214 E C 0.384 177.013 176.600 0.048 0.000 1.041 214 E CA -0.287 56.144 56.400 0.052 0.000 0.879 214 E CB 0.143 29.863 29.700 0.033 0.000 0.997 214 E HN 0.654 nan 8.360 nan 0.000 0.478 215 L N 0.559 121.804 121.223 0.037 0.000 2.333 215 L HA 0.388 4.728 4.340 -0.000 0.000 0.269 215 L C 0.217 177.132 176.870 0.075 0.000 1.010 215 L CA -0.944 53.922 54.840 0.043 0.000 0.818 215 L CB 1.780 43.840 42.059 0.002 0.000 1.306 215 L HN -0.108 nan 8.230 nan 0.000 0.430 216 D N -0.261 120.224 120.400 0.140 0.000 2.725 216 D HA 0.021 4.661 4.640 -0.000 0.000 0.269 216 D C -0.522 175.862 176.300 0.139 0.000 1.018 216 D CA 0.826 54.954 54.000 0.213 0.000 0.956 216 D CB 0.679 41.726 40.800 0.412 0.000 1.141 216 D HN 0.314 nan 8.370 nan 0.000 0.478 217 W N 3.102 124.426 121.300 0.039 0.000 2.424 217 W HA 0.412 5.072 4.660 -0.000 0.000 0.318 217 W C -0.761 175.762 176.519 0.008 0.000 1.016 217 W CA -0.908 56.466 57.345 0.048 0.000 1.268 217 W CB 0.556 30.155 29.460 0.232 0.000 1.297 217 W HN -0.203 nan 8.180 nan 0.000 0.428 218 T N 1.233 115.932 114.554 0.241 0.000 2.883 218 T HA 0.721 5.070 4.350 -0.000 0.000 0.296 218 T C -0.715 173.978 174.700 -0.012 0.000 1.117 218 T CA -0.841 61.271 62.100 0.021 0.000 1.006 218 T CB 1.897 70.748 68.868 -0.029 0.000 1.191 218 T HN 0.058 nan 8.240 nan 0.000 0.508 219 S N 0.920 116.521 115.700 -0.165 0.000 2.512 219 S HA 0.527 4.996 4.470 -0.000 0.000 0.161 219 S C -0.653 173.895 174.600 -0.086 0.000 1.383 219 S CA -0.591 57.410 58.200 -0.333 0.000 1.248 219 S CB 0.256 62.742 63.200 -1.189 0.000 1.488 219 S HN 0.740 nan 8.310 nan 0.000 0.382 220 S N 1.190 116.897 115.700 0.011 0.000 2.600 220 S HA 0.633 5.102 4.470 -0.000 0.000 0.300 220 S C -0.592 174.069 174.600 0.101 0.000 1.087 220 S CA -0.756 57.505 58.200 0.102 0.000 0.965 220 S CB 1.114 64.398 63.200 0.139 0.000 1.089 220 S HN 0.592 nan 8.310 nan 0.000 0.496 221 F N 2.605 122.574 119.950 0.031 0.000 2.538 221 F HA 0.474 5.001 4.527 -0.000 0.000 0.371 221 F C -0.713 175.075 175.800 -0.019 0.000 1.087 221 F CA 0.025 58.018 58.000 -0.011 0.000 1.250 221 F CB 0.370 39.358 39.000 -0.020 0.000 1.110 221 F HN 0.192 nan 8.300 nan 0.000 0.570 222 V N 8.112 127.480 119.914 -0.909 0.000 2.482 222 V HA 0.319 4.439 4.120 -0.000 0.000 0.295 222 V C -2.089 173.395 176.094 -1.017 0.000 1.026 222 V CA -1.644 60.171 62.300 -0.809 0.000 0.856 222 V CB 1.430 32.980 31.823 -0.455 0.000 1.001 222 V HN 0.690 nan 8.190 nan 0.000 0.424 223 P HA 0.139 nan 4.420 nan 0.000 0.271 223 P C 0.023 177.176 177.300 -0.245 0.000 1.216 223 P CA 0.295 63.071 63.100 -0.539 0.000 0.776 223 P CB 0.700 32.237 31.700 -0.271 0.000 0.881 224 D N 1.547 121.877 120.400 -0.117 0.000 2.692 224 D HA -0.218 4.422 4.640 -0.000 0.000 0.233 224 D C 1.004 177.276 176.300 -0.047 0.000 1.172 224 D CA 0.361 54.345 54.000 -0.026 0.000 0.636 224 D CB -1.183 39.617 40.800 -0.001 0.000 1.028 224 D HN 0.463 nan 8.370 nan 0.000 0.419 225 I N -0.167 120.341 120.570 -0.104 0.000 2.236 225 I HA -0.329 3.841 4.170 -0.000 0.000 0.249 225 I C 1.689 177.804 176.117 -0.004 0.000 1.102 225 I CA 1.695 62.926 61.300 -0.116 0.000 1.365 225 I CB 0.107 37.898 38.000 -0.348 0.000 1.051 225 I HN 0.116 nan 8.210 nan 0.000 0.420 226 D N -0.032 120.381 120.400 0.021 0.000 2.178 226 D HA -0.188 4.452 4.640 -0.000 0.000 0.202 226 D C 2.193 178.519 176.300 0.042 0.000 0.974 226 D CA 1.026 55.073 54.000 0.078 0.000 0.841 226 D CB -0.117 40.744 40.800 0.101 0.000 0.953 226 D HN 0.402 nan 8.370 nan 0.000 0.478 227 R N 0.141 120.660 120.500 0.031 0.000 2.052 227 R HA -0.068 4.272 4.340 -0.000 0.000 0.224 227 R C 2.441 178.749 176.300 0.014 0.000 1.149 227 R CA 1.695 57.805 56.100 0.017 0.000 0.962 227 R CB -0.206 30.105 30.300 0.020 0.000 0.856 227 R HN 0.211 nan 8.270 nan 0.000 0.433 228 T N -1.745 112.822 114.554 0.022 0.000 2.701 228 T HA -0.197 4.152 4.350 -0.000 0.000 0.263 228 T C 1.833 176.592 174.700 0.098 0.000 1.040 228 T CA 1.324 63.445 62.100 0.035 0.000 1.147 228 T CB -0.633 68.240 68.868 0.008 0.000 0.865 228 T HN 0.431 nan 8.240 nan 0.000 0.426 229 Y N 1.452 121.733 120.300 -0.031 0.000 2.239 229 Y HA 0.465 5.014 4.550 -0.000 0.000 0.293 229 Y C 2.863 178.823 175.900 0.100 0.000 1.126 229 Y CA 0.569 58.686 58.100 0.027 0.000 1.128 229 Y CB -0.529 37.884 38.460 -0.079 0.000 1.066 229 Y HN 0.247 nan 8.280 nan 0.000 0.516 230 A N 0.968 123.710 122.820 -0.130 0.000 1.902 230 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 230 A C 2.192 179.633 177.584 -0.240 0.000 1.181 230 A CA 1.905 53.791 52.037 -0.252 0.000 0.623 230 A CB -1.482 17.511 19.000 -0.010 0.000 0.818 230 A HN 0.621 nan 8.150 nan 0.000 0.443 231 A N -0.789 121.950 122.820 -0.134 0.000 2.206 231 A HA 0.400 4.719 4.320 -0.000 0.000 0.211 231 A C 2.178 179.659 177.584 -0.171 0.000 1.158 231 A CA 1.349 53.308 52.037 -0.130 0.000 0.761 231 A CB -0.598 18.363 19.000 -0.065 0.000 0.801 231 A HN 0.914 nan 8.150 nan 0.000 0.473 232 A N -0.670 122.023 122.820 -0.211 0.000 2.016 232 A HA 0.105 4.425 4.320 -0.000 0.000 0.217 232 A C 0.931 178.276 177.584 -0.399 0.000 1.162 232 A CA 0.949 52.848 52.037 -0.230 0.000 0.662 232 A CB -0.068 18.857 19.000 -0.126 0.000 0.812 232 A HN 0.487 nan 8.150 nan 0.000 0.450 233 N N -1.756 116.550 118.700 -0.658 0.000 2.431 233 N HA 0.177 4.917 4.740 -0.000 0.000 0.275 233 N C -2.928 172.231 175.510 -0.584 0.000 1.091 233 N CA -1.130 51.508 53.050 -0.687 0.000 0.922 233 N CB 1.839 39.674 38.487 -1.087 0.000 1.666 233 N HN -0.177 nan 8.380 nan 0.000 0.484 234 P HA 0.031 nan 4.420 nan 0.000 0.230 234 P C 0.064 177.172 177.300 -0.319 0.000 1.158 234 P CA 0.914 63.847 63.100 -0.278 0.000 0.769 234 P CB 0.351 31.966 31.700 -0.142 0.000 0.807 235 N N -1.413 117.118 118.700 -0.282 0.000 2.461 235 N HA -0.036 4.704 4.740 -0.000 0.000 0.188 235 N C 0.021 175.345 175.510 -0.309 0.000 1.134 235 N CA 0.226 53.191 53.050 -0.142 0.000 0.878 235 N CB -0.534 37.969 38.487 0.028 0.000 0.972 235 N HN 0.228 nan 8.380 nan 0.000 0.456 236 H N 0.778 119.375 119.070 -0.789 0.000 2.782 236 H HA 0.257 4.813 4.556 -0.000 0.000 0.285 236 H C -0.020 174.605 175.328 -1.172 0.000 1.093 236 H CA -0.083 55.348 56.048 -1.029 0.000 1.410 236 H CB -0.126 28.787 29.762 -1.415 0.000 1.439 236 H HN 0.173 nan 8.280 nan 0.000 0.469 237 H N 2.592 121.367 119.070 -0.492 0.000 2.855 237 H HA 0.354 4.909 4.556 -0.000 0.000 0.363 237 H C -0.666 174.463 175.328 -0.331 0.000 1.185 237 H CA -0.681 55.012 56.048 -0.590 0.000 1.174 237 H CB 2.464 31.476 29.762 -1.250 0.000 1.857 237 H HN 0.693 nan 8.280 nan 0.000 0.565 238 Y N -1.423 118.789 120.300 -0.148 0.000 2.604 238 Y HA 0.444 4.994 4.550 -0.000 0.000 0.331 238 Y C -2.336 173.686 175.900 0.204 0.000 1.158 238 Y CA -1.372 56.688 58.100 -0.066 0.000 1.056 238 Y CB 1.534 39.883 38.460 -0.184 0.000 1.330 238 Y HN 0.641 nan 8.280 nan 0.000 0.457 239 W N 4.250 125.724 121.300 0.289 0.000 3.132 239 W HA 0.604 5.264 4.660 -0.000 0.000 0.337 239 W C -2.737 174.204 176.519 0.704 0.000 1.082 239 W CA -1.738 55.839 57.345 0.386 0.000 1.242 239 W CB 1.425 31.214 29.460 0.549 0.000 1.354 239 W HN 0.512 nan 8.180 nan 0.000 0.461 240 Y N 7.309 127.779 120.300 0.283 0.000 2.915 240 Y HA 0.341 4.891 4.550 -0.000 0.000 0.350 240 Y C -1.822 174.027 175.900 -0.085 0.000 1.061 240 Y CA -3.310 54.855 58.100 0.109 0.000 1.179 240 Y CB -0.464 38.148 38.460 0.254 0.000 1.180 240 Y HN 0.125 nan 8.280 nan 0.000 0.605 241 P HA 0.184 nan 4.420 nan 0.000 0.272 241 P C 0.021 177.374 177.300 0.088 0.000 1.240 241 P CA -0.295 62.716 63.100 -0.149 0.000 0.791 241 P CB 1.280 32.672 31.700 -0.513 0.000 0.978 242 A N 0.638 123.518 122.820 0.100 0.000 2.531 242 A HA 0.422 4.741 4.320 -0.000 0.000 0.236 242 A C 0.670 178.192 177.584 -0.105 0.000 1.062 242 A CA 0.749 52.787 52.037 0.002 0.000 0.760 242 A CB -0.620 18.404 19.000 0.040 0.000 0.995 242 A HN 0.738 nan 8.150 nan 0.000 0.501 243 A N 2.030 124.587 122.820 -0.438 0.000 3.671 243 A HA 0.830 5.150 4.320 -0.000 0.000 0.178 243 A C 0.928 177.793 177.584 -1.198 0.000 0.921 243 A CA 0.088 51.589 52.037 -0.893 0.000 1.117 243 A CB -0.421 17.833 19.000 -1.243 0.000 1.632 243 A HN 1.907 nan 8.150 nan 0.000 0.722 244 G N -0.098 108.059 108.800 -1.072 0.000 2.491 244 G HA2 0.458 4.418 3.960 -0.000 0.000 0.242 244 G HA3 0.458 4.418 3.960 -0.000 0.000 0.242 244 G C -0.092 174.568 174.900 -0.399 0.000 1.266 244 G CA 0.413 45.105 45.100 -0.680 0.000 0.844 244 G HN 0.520 nan 8.290 nan 0.000 0.571 245 T N 1.539 115.916 114.554 -0.294 0.000 2.910 245 T HA 0.398 4.748 4.350 -0.000 0.000 0.293 245 T C 0.151 174.845 174.700 -0.010 0.000 1.015 245 T CA 0.149 62.096 62.100 -0.255 0.000 1.094 245 T CB 0.962 69.482 68.868 -0.580 0.000 0.968 245 T HN 0.523 nan 8.240 nan 0.000 0.521 246 Q N 0.345 120.105 119.800 -0.067 0.000 2.372 246 Q HA 0.723 5.063 4.340 -0.000 0.000 0.273 246 Q C -0.981 174.912 176.000 -0.178 0.000 1.078 246 Q CA -0.931 54.773 55.803 -0.165 0.000 0.806 246 Q CB 2.517 31.062 28.738 -0.322 0.000 1.332 246 Q HN 0.807 nan 8.270 nan 0.000 0.435 247 A N 1.286 123.909 122.820 -0.330 0.000 2.564 247 A HA 0.752 5.072 4.320 -0.000 0.000 0.291 247 A C -2.023 175.401 177.584 -0.267 0.000 1.102 247 A CA -0.645 51.304 52.037 -0.147 0.000 0.660 247 A CB 0.920 20.040 19.000 0.201 0.000 1.283 247 A HN 0.514 nan 8.150 nan 0.000 0.430 248 F N 0.678 120.758 119.950 0.216 0.000 2.415 248 F HA 0.630 5.157 4.527 -0.000 0.000 0.348 248 F C 0.543 176.435 175.800 0.154 0.000 1.119 248 F CA -0.029 58.116 58.000 0.241 0.000 1.069 248 F CB 1.604 40.812 39.000 0.346 0.000 1.124 248 F HN 0.379 nan 8.300 nan 0.000 0.472 249 M N 3.620 123.420 119.600 0.334 0.000 2.238 249 M HA 0.437 4.917 4.480 -0.000 0.000 0.350 249 M C -0.849 175.636 176.300 0.308 0.000 1.138 249 M CA -0.699 54.777 55.300 0.294 0.000 1.040 249 M CB 1.775 34.520 32.600 0.243 0.000 1.639 249 M HN 0.270 nan 8.290 nan 0.000 0.451 250 V N 3.271 123.298 119.914 0.187 0.000 2.547 250 V HA 0.309 4.428 4.120 -0.000 0.000 0.299 250 V C -0.295 175.833 176.094 0.056 0.000 1.040 250 V CA -0.703 61.599 62.300 0.004 0.000 0.913 250 V CB 1.985 33.661 31.823 -0.245 0.000 0.992 250 V HN 0.780 nan 8.190 nan 0.000 0.449 251 N N 3.948 122.523 118.700 -0.209 0.000 2.469 251 N HA 0.225 4.965 4.740 -0.000 0.000 0.239 251 N C 0.456 175.949 175.510 -0.027 0.000 1.053 251 N CA 0.026 52.966 53.050 -0.183 0.000 0.937 251 N CB 0.254 38.276 38.487 -0.774 0.000 1.163 251 N HN 0.528 nan 8.380 nan 0.000 0.509 252 F N 1.931 121.933 119.950 0.086 0.000 2.333 252 F HA -0.102 4.425 4.527 -0.000 0.000 0.300 252 F C 1.672 177.490 175.800 0.030 0.000 1.083 252 F CA 0.884 58.934 58.000 0.084 0.000 1.395 252 F CB 0.272 39.391 39.000 0.199 0.000 1.056 252 F HN 0.523 nan 8.300 nan 0.000 0.529 253 K N -0.024 120.486 120.400 0.185 0.000 3.109 253 K HA 0.170 4.490 4.320 -0.000 0.000 0.214 253 K C -0.509 176.035 176.600 -0.093 0.000 1.196 253 K CA -0.425 55.865 56.287 0.005 0.000 1.115 253 K CB -0.394 32.043 32.500 -0.105 0.000 1.103 253 K HN -0.029 nan 8.250 nan 0.000 0.467 254 N N 3.005 121.643 118.700 -0.103 0.000 2.440 254 N HA 0.006 4.746 4.740 -0.000 0.000 0.265 254 N C -1.264 174.178 175.510 -0.113 0.000 1.239 254 N CA -1.437 51.527 53.050 -0.144 0.000 0.909 254 N CB 0.872 39.256 38.487 -0.171 0.000 1.066 254 N HN 0.164 nan 8.380 nan 0.000 0.474 255 P HA -0.126 nan 4.420 nan 0.000 0.228 255 P C -0.550 176.709 177.300 -0.070 0.000 1.151 255 P CA 0.924 63.974 63.100 -0.083 0.000 0.770 255 P CB 0.093 31.748 31.700 -0.076 0.000 0.786 256 D N 1.128 121.484 120.400 -0.074 0.000 2.347 256 D HA 0.107 4.747 4.640 -0.000 0.000 0.235 256 D C -0.953 175.301 176.300 -0.078 0.000 1.149 256 D CA -2.560 51.403 54.000 -0.062 0.000 0.850 256 D CB 1.122 41.892 40.800 -0.050 0.000 1.061 256 D HN -0.064 nan 8.370 nan 0.000 0.487 257 P HA -0.291 nan 4.420 nan 0.000 0.216 257 P C 1.024 178.259 177.300 -0.107 0.000 1.154 257 P CA 1.339 64.392 63.100 -0.079 0.000 0.865 257 P CB 0.180 31.844 31.700 -0.060 0.000 0.789 258 A N 0.522 123.286 122.820 -0.093 0.000 1.877 258 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 258 A C 2.314 179.748 177.584 -0.250 0.000 1.186 258 A CA 1.975 53.937 52.037 -0.125 0.000 0.620 258 A CB -1.091 17.894 19.000 -0.026 0.000 0.822 258 A HN 0.165 nan 8.150 nan 0.000 0.443 259 K N -0.386 119.901 120.400 -0.189 0.000 2.097 259 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 259 K C 2.193 178.592 176.600 -0.336 0.000 1.049 259 K CA 1.531 57.657 56.287 -0.269 0.000 0.933 259 K CB -0.144 32.285 32.500 -0.119 0.000 0.717 259 K HN 0.501 nan 8.250 nan 0.000 0.442 260 K N 1.688 121.949 120.400 -0.232 0.000 2.057 260 K HA -0.222 4.097 4.320 -0.000 0.000 0.207 260 K C 2.032 178.497 176.600 -0.224 0.000 1.049 260 K CA 1.558 57.724 56.287 -0.200 0.000 0.931 260 K CB 0.039 32.464 32.500 -0.126 0.000 0.714 260 K HN 0.110 nan 8.250 nan 0.000 0.440 261 E N -0.412 119.648 120.200 -0.234 0.000 2.130 261 E HA -0.238 4.112 4.350 -0.000 0.000 0.196 261 E C 1.622 178.088 176.600 -0.223 0.000 0.998 261 E CA 1.259 57.534 56.400 -0.209 0.000 0.806 261 E CB -0.062 29.497 29.700 -0.234 0.000 0.738 261 E HN 0.471 nan 8.360 nan 0.000 0.459 262 A N 0.457 122.988 122.820 -0.483 0.000 1.861 262 A HA -0.030 4.290 4.320 -0.000 0.000 0.212 262 A C 2.133 179.261 177.584 -0.760 0.000 1.199 262 A CA 0.613 52.143 52.037 -0.845 0.000 0.613 262 A CB -0.524 17.423 19.000 -1.756 0.000 0.846 262 A HN 0.229 nan 8.150 nan 0.000 0.446 263 L N -0.226 120.651 121.223 -0.576 0.000 2.083 263 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 263 L C 1.411 178.013 176.870 -0.446 0.000 1.083 263 L CA 1.404 55.994 54.840 -0.416 0.000 0.752 263 L CB -0.476 41.356 42.059 -0.377 0.000 0.899 263 L HN 0.316 nan 8.230 nan 0.000 0.433 264 D N 0.586 120.798 120.400 -0.312 0.000 2.519 264 D HA -0.033 4.607 4.640 -0.000 0.000 0.238 264 D C -0.155 176.117 176.300 -0.048 0.000 1.192 264 D CA 0.092 53.987 54.000 -0.174 0.000 0.835 264 D CB -0.319 40.475 40.800 -0.010 0.000 0.975 264 D HN 0.106 nan 8.370 nan 0.000 0.490 265 N N 0.582 119.242 118.700 -0.067 0.000 2.540 265 N HA -0.008 4.732 4.740 -0.000 0.000 0.275 265 N C 0.934 176.465 175.510 0.035 0.000 1.053 265 N CA -0.381 52.702 53.050 0.054 0.000 0.876 265 N CB 1.707 40.306 38.487 0.186 0.000 1.284 265 N HN -0.120 nan 8.380 nan 0.000 0.518 266 V N 3.456 123.390 119.914 0.034 0.000 2.370 266 V HA -0.237 3.883 4.120 -0.000 0.000 0.252 266 V C 1.349 177.401 176.094 -0.071 0.000 1.068 266 V CA 2.126 64.415 62.300 -0.018 0.000 1.061 266 V CB -0.115 31.704 31.823 -0.007 0.000 0.656 266 V HN 0.621 nan 8.190 nan 0.000 0.455 267 D N -0.977 119.405 120.400 -0.029 0.000 2.144 267 D HA -0.156 4.484 4.640 -0.000 0.000 0.200 267 D C 1.814 178.048 176.300 -0.111 0.000 0.978 267 D CA 1.541 55.493 54.000 -0.080 0.000 0.833 267 D CB -0.241 40.573 40.800 0.023 0.000 0.961 267 D HN 0.611 nan 8.370 nan 0.000 0.470 268 F N 1.901 121.701 119.950 -0.250 0.000 2.206 268 F HA -0.057 4.470 4.527 -0.000 0.000 0.298 268 F C 2.268 177.944 175.800 -0.206 0.000 1.090 268 F CA 1.103 58.860 58.000 -0.405 0.000 1.323 268 F CB 0.122 38.721 39.000 -0.669 0.000 1.028 268 F HN -0.227 nan 8.300 nan 0.000 0.492 269 R N 0.018 120.478 120.500 -0.066 0.000 2.096 269 R HA -0.110 4.229 4.340 -0.000 0.000 0.235 269 R C 2.317 178.552 176.300 -0.108 0.000 1.127 269 R CA 1.488 57.515 56.100 -0.121 0.000 0.968 269 R CB -0.378 29.847 30.300 -0.126 0.000 0.861 269 R HN 0.303 nan 8.270 nan 0.000 0.440 270 R N 0.318 120.723 120.500 -0.159 0.000 2.075 270 R HA -0.038 4.302 4.340 -0.000 0.000 0.232 270 R C 2.367 178.612 176.300 -0.092 0.000 1.126 270 R CA 1.282 57.287 56.100 -0.159 0.000 0.963 270 R CB -0.303 29.704 30.300 -0.489 0.000 0.858 270 R HN 0.189 nan 8.270 nan 0.000 0.435 271 A N 0.851 123.557 122.820 -0.190 0.000 1.877 271 A HA -0.209 4.110 4.320 -0.000 0.000 0.216 271 A C 1.993 179.479 177.584 -0.163 0.000 1.186 271 A CA 1.220 53.146 52.037 -0.185 0.000 0.620 271 A CB -0.784 18.030 19.000 -0.310 0.000 0.822 271 A HN 0.394 nan 8.150 nan 0.000 0.443 272 F N 0.760 120.427 119.950 -0.472 0.000 2.091 272 F HA -0.233 4.293 4.527 -0.000 0.000 0.299 272 F C 2.737 178.457 175.800 -0.133 0.000 1.103 272 F CA 2.050 59.824 58.000 -0.377 0.000 1.228 272 F CB -0.126 38.614 39.000 -0.434 0.000 0.984 272 F HN 0.257 nan 8.300 nan 0.000 0.477 273 S N -0.095 115.774 115.700 0.282 0.000 2.406 273 S HA -0.148 4.322 4.470 -0.000 0.000 0.228 273 S C 1.936 176.651 174.600 0.193 0.000 1.020 273 S CA 1.258 59.626 58.200 0.281 0.000 0.965 273 S CB -0.288 63.067 63.200 0.259 0.000 0.798 273 S HN 0.492 nan 8.310 nan 0.000 0.488 274 M N 0.540 120.227 119.600 0.146 0.000 2.492 274 M HA 0.108 4.588 4.480 -0.000 0.000 0.262 274 M C 2.209 178.614 176.300 0.176 0.000 1.090 274 M CA 0.865 56.265 55.300 0.167 0.000 1.110 274 M CB -0.246 32.442 32.600 0.146 0.000 1.407 274 M HN 0.466 nan 8.290 nan 0.000 0.470 275 A N 0.527 123.393 122.820 0.076 0.000 2.016 275 A HA 0.120 4.439 4.320 -0.000 0.000 0.217 275 A C 1.123 178.743 177.584 0.061 0.000 1.162 275 A CA 0.315 52.392 52.037 0.067 0.000 0.662 275 A CB -0.386 18.548 19.000 -0.111 0.000 0.812 275 A HN 0.344 nan 8.150 nan 0.000 0.450 276 L N 0.765 121.989 121.223 0.002 0.000 2.456 276 L HA 0.147 4.487 4.340 -0.000 0.000 0.272 276 L C -0.271 176.470 176.870 -0.215 0.000 1.189 276 L CA -0.257 54.542 54.840 -0.068 0.000 0.846 276 L CB 0.354 42.458 42.059 0.076 0.000 1.111 276 L HN 0.168 nan 8.230 nan 0.000 0.475 277 D N 2.260 122.383 120.400 -0.462 0.000 2.479 277 D HA 0.193 4.832 4.640 -0.000 0.000 0.247 277 D C 1.114 177.288 176.300 -0.210 0.000 1.119 277 D CA -0.357 53.232 54.000 -0.685 0.000 0.922 277 D CB 0.621 40.813 40.800 -1.013 0.000 1.014 277 D HN 0.346 nan 8.370 nan 0.000 0.510 278 R N 1.349 121.817 120.500 -0.053 0.000 2.080 278 R HA -0.211 4.129 4.340 -0.000 0.000 0.236 278 R C 1.655 177.976 176.300 0.036 0.000 1.137 278 R CA 1.415 57.536 56.100 0.035 0.000 0.943 278 R CB -0.040 30.316 30.300 0.093 0.000 0.846 278 R HN 0.312 nan 8.270 nan 0.000 0.431 279 Q N 0.295 120.119 119.800 0.041 0.000 2.135 279 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 279 Q C 1.811 177.839 176.000 0.047 0.000 0.981 279 Q CA 2.154 57.991 55.803 0.057 0.000 0.856 279 Q CB -0.319 28.461 28.738 0.070 0.000 0.902 279 Q HN 0.224 nan 8.270 nan 0.000 0.425 280 T N 0.295 114.853 114.554 0.007 0.000 2.821 280 T HA -0.038 4.312 4.350 -0.000 0.000 0.267 280 T C 1.658 176.372 174.700 0.023 0.000 1.046 280 T CA 1.207 63.308 62.100 0.002 0.000 1.139 280 T CB -0.180 68.657 68.868 -0.051 0.000 0.871 280 T HN 0.276 nan 8.240 nan 0.000 0.454 281 I N 0.358 120.948 120.570 0.034 0.000 2.286 281 I HA -0.119 4.050 4.170 -0.000 0.000 0.248 281 I C 2.094 178.349 176.117 0.231 0.000 1.115 281 I CA 1.220 62.578 61.300 0.098 0.000 1.392 281 I CB -0.280 37.779 38.000 0.098 0.000 1.065 281 I HN 0.234 nan 8.210 nan 0.000 0.418 282 I N 0.370 121.045 120.570 0.176 0.000 2.233 282 I HA -0.251 3.919 4.170 -0.000 0.000 0.243 282 I C 1.999 178.251 176.117 0.226 0.000 1.093 282 I CA 1.276 62.706 61.300 0.217 0.000 1.380 282 I CB -0.304 37.753 38.000 0.095 0.000 1.067 282 I HN 0.175 nan 8.210 nan 0.000 0.413 283 D N 0.664 121.144 120.400 0.134 0.000 2.144 283 D HA -0.089 4.551 4.640 -0.000 0.000 0.200 283 D C 2.217 178.525 176.300 0.014 0.000 0.978 283 D CA 1.384 55.443 54.000 0.097 0.000 0.833 283 D CB 0.074 40.921 40.800 0.077 0.000 0.961 283 D HN 0.331 nan 8.370 nan 0.000 0.470 284 I N 0.605 121.163 120.570 -0.019 0.000 2.364 284 I HA -0.070 4.100 4.170 -0.000 0.000 0.241 284 I C 2.389 178.335 176.117 -0.287 0.000 1.082 284 I CA 0.648 61.869 61.300 -0.131 0.000 1.401 284 I CB -0.149 37.803 38.000 -0.081 0.000 1.126 284 I HN -0.120 nan 8.210 nan 0.000 0.429 285 A N 0.389 123.097 122.820 -0.188 0.000 1.968 285 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 285 A C 1.506 178.737 177.584 -0.587 0.000 1.169 285 A CA 1.401 53.205 52.037 -0.388 0.000 0.638 285 A CB -0.549 18.238 19.000 -0.356 0.000 0.812 285 A HN 0.440 nan 8.150 nan 0.000 0.446 286 F N -2.778 117.126 119.950 -0.077 0.000 2.668 286 F HA 0.340 4.867 4.527 -0.000 0.000 0.301 286 F C -0.269 175.683 175.800 0.254 0.000 1.106 286 F CA -0.811 57.260 58.000 0.119 0.000 1.289 286 F CB -0.371 38.712 39.000 0.137 0.000 1.006 286 F HN 0.222 nan 8.300 nan 0.000 0.535 287 Y N -0.084 120.342 120.300 0.210 0.000 3.721 287 Y HA -0.225 4.324 4.550 -0.000 0.000 0.218 287 Y C 1.652 177.681 175.900 0.215 0.000 1.188 287 Y CA 0.452 58.665 58.100 0.189 0.000 1.607 287 Y CB -1.863 36.715 38.460 0.196 0.000 1.496 287 Y HN 0.408 nan 8.280 nan 0.000 0.626 288 G N -1.445 107.532 108.800 0.295 0.000 2.184 288 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.264 288 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.264 288 G C 0.198 175.289 174.900 0.318 0.000 0.975 288 G CA 0.302 45.564 45.100 0.270 0.000 0.642 288 G HN 0.624 nan 8.290 nan 0.000 0.536 289 S N 1.103 117.023 115.700 0.366 0.000 2.835 289 S HA 0.669 5.139 4.470 -0.000 0.000 0.286 289 S C 0.595 175.314 174.600 0.197 0.000 1.194 289 S CA 0.362 58.775 58.200 0.356 0.000 1.031 289 S CB 0.914 64.316 63.200 0.337 0.000 1.216 289 S HN 1.760 nan 8.310 nan 0.000 0.502 290 G N 1.278 110.169 108.800 0.151 0.000 2.328 290 G HA2 0.477 4.437 3.960 -0.000 0.000 0.295 290 G HA3 0.477 4.437 3.960 -0.000 0.000 0.295 290 G C -1.434 173.497 174.900 0.051 0.000 1.413 290 G CA -0.671 44.433 45.100 0.008 0.000 0.817 290 G HN 0.295 nan 8.290 nan 0.000 0.546 291 T N 0.143 114.704 114.554 0.012 0.000 2.886 291 T HA 0.538 4.888 4.350 -0.000 0.000 0.292 291 T C 0.113 174.864 174.700 0.085 0.000 1.012 291 T CA -0.436 61.706 62.100 0.070 0.000 0.982 291 T CB 1.925 70.857 68.868 0.107 0.000 1.018 291 T HN 0.680 nan 8.240 nan 0.000 0.451 292 V N 3.569 123.551 119.914 0.114 0.000 2.557 292 V HA 0.060 4.179 4.120 -0.000 0.000 0.301 292 V C 0.767 177.034 176.094 0.290 0.000 1.026 292 V CA 0.119 62.512 62.300 0.155 0.000 1.137 292 V CB 0.112 32.019 31.823 0.139 0.000 0.917 292 V HN 0.873 nan 8.190 nan 0.000 0.484 293 N N 3.301 122.150 118.700 0.247 0.000 2.621 293 N HA 0.254 4.993 4.740 -0.000 0.000 0.237 293 N C -0.201 175.493 175.510 0.307 0.000 0.997 293 N CA -0.656 52.584 53.050 0.315 0.000 0.918 293 N CB 0.599 39.180 38.487 0.158 0.000 1.122 293 N HN 0.808 nan 8.380 nan 0.000 0.510 294 D N 2.698 123.301 120.400 0.338 0.000 2.491 294 D HA 0.045 4.684 4.640 -0.000 0.000 0.228 294 D C -0.656 175.751 176.300 0.179 0.000 1.183 294 D CA -0.298 53.844 54.000 0.238 0.000 0.827 294 D CB -0.454 40.468 40.800 0.202 0.000 0.989 294 D HN 0.236 nan 8.370 nan 0.000 0.494 295 F N 0.721 120.745 119.950 0.124 0.000 2.404 295 F HA 0.488 5.015 4.527 -0.000 0.000 0.358 295 F C 1.747 177.626 175.800 0.131 0.000 1.120 295 F CA -0.928 57.095 58.000 0.039 0.000 1.144 295 F CB 1.708 40.590 39.000 -0.197 0.000 1.133 295 F HN 0.037 nan 8.300 nan 0.000 0.495 296 A N 1.857 124.880 122.820 0.338 0.000 1.978 296 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 296 A C 2.199 179.907 177.584 0.207 0.000 1.170 296 A CA 2.057 54.249 52.037 0.258 0.000 0.636 296 A CB -0.772 18.369 19.000 0.235 0.000 0.810 296 A HN 0.720 nan 8.150 nan 0.000 0.448 297 S N -2.093 113.751 115.700 0.240 0.000 2.562 297 S HA 0.352 4.821 4.470 -0.000 0.000 0.221 297 S C 1.495 176.332 174.600 0.396 0.000 0.975 297 S CA 1.082 59.413 58.200 0.218 0.000 0.918 297 S CB -0.348 62.997 63.200 0.241 0.000 0.772 297 S HN 1.924 nan 8.310 nan 0.000 0.531 298 G N 0.985 109.959 108.800 0.290 0.000 2.162 298 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.260 298 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.260 298 G C 0.542 175.241 174.900 -0.334 0.000 0.976 298 G CA 0.438 45.589 45.100 0.086 0.000 0.655 298 G HN 0.611 nan 8.290 nan 0.000 0.533 299 L N 0.700 121.756 121.223 -0.278 0.000 2.021 299 L HA 0.332 4.672 4.340 -0.000 0.000 0.215 299 L C 1.814 178.161 176.870 -0.871 0.000 1.074 299 L CA 3.413 57.842 54.840 -0.686 0.000 0.760 299 L CB -0.731 40.928 42.059 -0.665 0.000 0.889 299 L HN 2.202 nan 8.230 nan 0.000 0.433 300 G N -3.589 104.470 108.800 -1.236 0.000 2.733 300 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.686 300 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.686 300 G C -0.051 174.388 174.900 -0.769 0.000 1.373 300 G CA 0.002 44.639 45.100 -0.771 0.000 0.838 300 G HN 0.292 nan 8.290 nan 0.000 0.588 301 Y N 0.643 120.915 120.300 -0.047 0.000 2.632 301 Y HA 0.220 4.769 4.550 -0.000 0.000 0.301 301 Y C 2.797 178.682 175.900 -0.025 0.000 1.172 301 Y CA 1.568 59.722 58.100 0.089 0.000 1.328 301 Y CB -0.013 38.576 38.460 0.215 0.000 1.016 301 Y HN 0.824 nan 8.280 nan 0.000 0.529 302 A N -1.086 121.649 122.820 -0.142 0.000 2.123 302 A HA 0.047 4.366 4.320 -0.000 0.000 0.214 302 A C 0.647 177.982 177.584 -0.416 0.000 1.152 302 A CA 0.806 52.669 52.037 -0.291 0.000 0.728 302 A CB -0.387 18.315 19.000 -0.497 0.000 0.814 302 A HN 0.349 nan 8.150 nan 0.000 0.464 303 F N -0.688 119.264 119.950 0.003 0.000 2.835 303 F HA 0.287 4.814 4.527 -0.000 0.000 0.342 303 F C 1.192 177.040 175.800 0.081 0.000 1.202 303 F CA -0.893 57.147 58.000 0.066 0.000 1.240 303 F CB -0.128 38.777 39.000 -0.158 0.000 1.005 303 F HN 0.319 nan 8.300 nan 0.000 0.507 304 E N 1.014 121.340 120.200 0.211 0.000 2.267 304 E HA -0.189 4.161 4.350 -0.000 0.000 0.197 304 E C 2.290 179.058 176.600 0.280 0.000 0.998 304 E CA 1.093 57.636 56.400 0.237 0.000 0.830 304 E CB 0.243 30.153 29.700 0.350 0.000 0.751 304 E HN 0.440 nan 8.360 nan 0.000 0.491 305 A N 0.162 123.157 122.820 0.292 0.000 1.933 305 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 305 A C 1.410 179.075 177.584 0.134 0.000 1.175 305 A CA 1.211 53.349 52.037 0.168 0.000 0.628 305 A CB -0.858 18.197 19.000 0.092 0.000 0.814 305 A HN 0.484 nan 8.150 nan 0.000 0.444 306 W N 0.274 121.679 121.300 0.176 0.000 3.047 306 W HA 0.286 4.946 4.660 -0.000 0.000 0.250 306 W C 1.285 177.995 176.519 0.320 0.000 1.314 306 W CA 0.528 57.996 57.345 0.205 0.000 1.540 306 W CB -0.165 29.357 29.460 0.103 0.000 1.127 306 W HN 0.190 nan 8.180 nan 0.000 0.679 307 S N 1.598 117.556 115.700 0.430 0.000 2.548 307 S HA -0.020 4.449 4.470 -0.000 0.000 0.277 307 S C 0.001 174.698 174.600 0.162 0.000 1.315 307 S CA -0.581 57.811 58.200 0.321 0.000 1.050 307 S CB 0.348 63.736 63.200 0.312 0.000 0.918 307 S HN 0.130 nan 8.310 nan 0.000 0.497 308 D N 3.808 124.123 120.400 -0.140 0.000 2.422 308 D HA 0.042 4.681 4.640 -0.000 0.000 0.227 308 D C 0.994 177.287 176.300 -0.012 0.000 1.190 308 D CA -0.033 53.712 54.000 -0.424 0.000 0.905 308 D CB 0.511 40.911 40.800 -0.667 0.000 1.034 308 D HN 0.844 nan 8.370 nan 0.000 0.507 309 E N 2.704 122.951 120.200 0.079 0.000 2.333 309 E HA -0.232 4.118 4.350 -0.000 0.000 0.200 309 E C 1.404 178.055 176.600 0.085 0.000 1.010 309 E CA 0.977 57.466 56.400 0.149 0.000 0.841 309 E CB 0.254 30.032 29.700 0.130 0.000 0.757 309 E HN 0.611 nan 8.360 nan 0.000 0.508 310 A N -0.328 122.515 122.820 0.038 0.000 1.935 310 A HA -0.047 4.273 4.320 -0.000 0.000 0.214 310 A C 2.289 179.881 177.584 0.014 0.000 1.178 310 A CA 1.291 53.331 52.037 0.006 0.000 0.640 310 A CB -0.400 18.600 19.000 -0.001 0.000 0.825 310 A HN 0.241 nan 8.150 nan 0.000 0.447 311 T N -1.337 113.258 114.554 0.068 0.000 2.821 311 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 311 T C 1.775 176.615 174.700 0.233 0.000 1.046 311 T CA 1.459 63.650 62.100 0.152 0.000 1.139 311 T CB -0.448 68.526 68.868 0.176 0.000 0.871 311 T HN 0.727 nan 8.240 nan 0.000 0.454 312 H N 0.761 119.886 119.070 0.092 0.000 2.267 312 H HA -0.110 4.446 4.556 -0.000 0.000 0.297 312 H C 2.158 177.455 175.328 -0.052 0.000 1.080 312 H CA 1.266 57.341 56.048 0.045 0.000 1.278 312 H CB 0.174 29.928 29.762 -0.013 0.000 1.365 312 H HN 0.043 nan 8.280 nan 0.000 0.489 313 K N 1.013 121.340 120.400 -0.121 0.000 2.097 313 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 313 K C 2.173 178.627 176.600 -0.244 0.000 1.049 313 K CA 1.026 57.166 56.287 -0.245 0.000 0.933 313 K CB -0.251 32.136 32.500 -0.189 0.000 0.717 313 K HN 0.263 nan 8.250 nan 0.000 0.442 314 K N -0.696 119.545 120.400 -0.265 0.000 2.097 314 K HA -0.152 4.168 4.320 -0.000 0.000 0.206 314 K C 0.881 177.050 176.600 -0.719 0.000 1.049 314 K CA 1.468 57.451 56.287 -0.506 0.000 0.933 314 K CB 0.020 32.138 32.500 -0.637 0.000 0.717 314 K HN 0.176 nan 8.250 nan 0.000 0.442 315 Y N -0.133 120.113 120.300 -0.088 0.000 2.481 315 Y HA 0.168 4.718 4.550 -0.000 0.000 0.247 315 Y C 1.666 177.513 175.900 -0.089 0.000 1.151 315 Y CA -0.193 57.856 58.100 -0.085 0.000 1.238 315 Y CB 0.270 38.825 38.460 0.158 0.000 1.179 315 Y HN -0.036 nan 8.280 nan 0.000 0.524 316 K N 0.910 121.297 120.400 -0.021 0.000 2.160 316 K HA -0.161 4.159 4.320 -0.000 0.000 0.206 316 K C 2.124 178.695 176.600 -0.049 0.000 1.047 316 K CA 1.639 57.904 56.287 -0.036 0.000 0.930 316 K CB -0.522 31.841 32.500 -0.229 0.000 0.720 316 K HN 0.450 nan 8.250 nan 0.000 0.450 317 G N -0.114 108.573 108.800 -0.189 0.000 2.471 317 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.219 317 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.219 317 G C 1.086 175.992 174.900 0.010 0.000 1.125 317 G CA 0.181 45.188 45.100 -0.154 0.000 0.775 317 G HN 0.339 nan 8.290 nan 0.000 0.548 318 F N 0.254 120.269 119.950 0.110 0.000 2.811 318 F HA 0.188 4.715 4.527 -0.000 0.000 0.301 318 F C 1.311 177.192 175.800 0.135 0.000 1.151 318 F CA -0.162 57.912 58.000 0.122 0.000 1.412 318 F CB 0.420 39.514 39.000 0.156 0.000 1.113 318 F HN 0.064 nan 8.300 nan 0.000 0.579 319 N N 0.031 118.902 118.700 0.286 0.000 2.517 319 N HA 0.139 4.879 4.740 -0.000 0.000 0.285 319 N C -0.611 175.018 175.510 0.200 0.000 1.528 319 N CA 0.244 53.443 53.050 0.247 0.000 0.892 319 N CB 1.198 39.836 38.487 0.251 0.000 1.356 319 N HN -0.070 nan 8.380 nan 0.000 0.495 320 T N -0.155 114.510 114.554 0.185 0.000 2.900 320 T HA 0.207 4.556 4.350 -0.000 0.000 0.295 320 T C -0.645 174.190 174.700 0.225 0.000 1.044 320 T CA -0.424 61.778 62.100 0.170 0.000 0.995 320 T CB 1.948 70.877 68.868 0.102 0.000 1.072 320 T HN 0.113 nan 8.240 nan 0.000 0.473 321 Y N 2.949 123.291 120.300 0.069 0.000 2.754 321 Y HA 0.129 4.679 4.550 -0.000 0.000 0.349 321 Y C -0.109 175.816 175.900 0.041 0.000 1.179 321 Y CA 0.105 58.237 58.100 0.054 0.000 1.538 321 Y CB 0.158 38.645 38.460 0.046 0.000 1.200 321 Y HN 0.482 nan 8.280 nan 0.000 0.522 322 D N 5.896 126.339 120.400 0.073 0.000 2.381 322 D HA 0.102 4.742 4.640 -0.000 0.000 0.245 322 D C 0.250 176.509 176.300 -0.067 0.000 1.297 322 D CA -0.272 53.677 54.000 -0.085 0.000 0.931 322 D CB 1.041 41.849 40.800 0.013 0.000 1.334 322 D HN 0.437 nan 8.370 nan 0.000 0.535 323 V N 2.529 122.328 119.914 -0.192 0.000 2.255 323 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 323 V C 2.167 178.236 176.094 -0.042 0.000 1.051 323 V CA 1.636 63.889 62.300 -0.078 0.000 1.018 323 V CB -0.208 31.549 31.823 -0.109 0.000 0.641 323 V HN 0.419 nan 8.190 nan 0.000 0.445 324 E N 0.402 120.567 120.200 -0.058 0.000 2.208 324 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 324 E C 2.174 178.773 176.600 -0.001 0.000 0.988 324 E CA 1.094 57.478 56.400 -0.027 0.000 0.828 324 E CB -0.593 29.087 29.700 -0.034 0.000 0.763 324 E HN 0.542 nan 8.360 nan 0.000 0.478 325 G N -0.557 108.246 108.800 0.006 0.000 2.421 325 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 325 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 325 G C 1.702 176.632 174.900 0.050 0.000 1.143 325 G CA 0.838 45.963 45.100 0.043 0.000 0.784 325 G HN 0.339 nan 8.290 nan 0.000 0.541 326 S N 0.452 116.171 115.700 0.033 0.000 2.343 326 S HA -0.102 4.368 4.470 -0.000 0.000 0.219 326 S C 2.352 176.955 174.600 0.006 0.000 1.033 326 S CA 1.780 59.987 58.200 0.011 0.000 1.014 326 S CB -0.306 62.894 63.200 0.000 0.000 0.915 326 S HN 0.404 nan 8.310 nan 0.000 0.435 327 K N 0.703 121.110 120.400 0.012 0.000 2.113 327 K HA -0.127 4.192 4.320 -0.000 0.000 0.208 327 K C 2.401 179.027 176.600 0.043 0.000 1.047 327 K CA 1.394 57.696 56.287 0.025 0.000 0.928 327 K CB -0.156 32.354 32.500 0.017 0.000 0.716 327 K HN 0.326 nan 8.250 nan 0.000 0.446 328 K N 0.996 121.420 120.400 0.040 0.000 2.031 328 K HA -0.039 4.281 4.320 -0.000 0.000 0.205 328 K C 2.148 178.787 176.600 0.066 0.000 1.049 328 K CA 0.732 57.050 56.287 0.052 0.000 0.939 328 K CB -0.058 32.471 32.500 0.047 0.000 0.717 328 K HN 0.098 nan 8.250 nan 0.000 0.438 329 L N 1.254 122.513 121.223 0.059 0.000 2.017 329 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 329 L C 2.204 179.124 176.870 0.083 0.000 1.073 329 L CA 1.243 56.117 54.840 0.056 0.000 0.745 329 L CB -0.224 41.843 42.059 0.013 0.000 0.894 329 L HN 0.282 nan 8.230 nan 0.000 0.432 330 L N -0.530 120.735 121.223 0.072 0.000 2.042 330 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 330 L C 2.830 179.847 176.870 0.247 0.000 1.076 330 L CA 1.338 56.270 54.840 0.154 0.000 0.749 330 L CB -0.753 41.376 42.059 0.116 0.000 0.893 330 L HN 0.323 nan 8.230 nan 0.000 0.432 331 A N -0.500 122.415 122.820 0.158 0.000 1.883 331 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 331 A C 2.421 180.085 177.584 0.132 0.000 1.186 331 A CA 1.702 53.822 52.037 0.137 0.000 0.624 331 A CB -0.433 18.621 19.000 0.091 0.000 0.822 331 A HN 0.207 nan 8.150 nan 0.000 0.444 332 K N -0.290 120.183 120.400 0.121 0.000 2.148 332 K HA -0.000 4.320 4.320 -0.000 0.000 0.204 332 K C 1.905 178.582 176.600 0.129 0.000 1.050 332 K CA 1.148 57.498 56.287 0.105 0.000 0.942 332 K CB -0.279 32.275 32.500 0.089 0.000 0.724 332 K HN 0.406 nan 8.250 nan 0.000 0.446 333 A N -0.342 122.601 122.820 0.204 0.000 2.208 333 A HA 0.155 4.475 4.320 -0.000 0.000 0.209 333 A C 1.317 179.016 177.584 0.190 0.000 1.161 333 A CA 1.252 53.449 52.037 0.267 0.000 0.782 333 A CB -0.111 19.161 19.000 0.453 0.000 0.816 333 A HN 0.458 nan 8.150 nan 0.000 0.477 334 G N -2.099 106.789 108.800 0.147 0.000 2.195 334 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.224 334 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.224 334 G C -0.018 174.835 174.900 -0.077 0.000 0.990 334 G CA -0.104 44.984 45.100 -0.021 0.000 0.639 334 G HN 0.335 nan 8.290 nan 0.000 0.514 335 F N 1.853 121.869 119.950 0.109 0.000 2.494 335 F HA 0.641 5.168 4.527 -0.000 0.000 0.351 335 F C 0.745 176.633 175.800 0.146 0.000 1.205 335 F CA -0.008 58.089 58.000 0.161 0.000 1.125 335 F CB 0.858 40.016 39.000 0.262 0.000 1.268 335 F HN -0.034 nan 8.300 nan 0.000 0.593 336 K N 1.252 121.773 120.400 0.202 0.000 2.318 336 K HA 0.250 4.569 4.320 -0.000 0.000 0.249 336 K C -0.959 175.726 176.600 0.142 0.000 0.942 336 K CA -0.799 55.579 56.287 0.151 0.000 0.808 336 K CB 1.149 33.700 32.500 0.085 0.000 1.189 336 K HN 0.208 nan 8.250 nan 0.000 0.428 337 D N 3.264 123.733 120.400 0.116 0.000 2.435 337 D HA 0.015 4.655 4.640 -0.000 0.000 0.230 337 D C 0.257 176.595 176.300 0.064 0.000 1.215 337 D CA 0.130 54.187 54.000 0.095 0.000 0.947 337 D CB 0.559 41.395 40.800 0.060 0.000 1.048 337 D HN 0.243 nan 8.370 nan 0.000 0.512 338 V N 4.534 124.487 119.914 0.065 0.000 3.052 338 V HA -0.053 4.067 4.120 -0.000 0.000 0.254 338 V C 1.875 177.992 176.094 0.038 0.000 1.100 338 V CA 0.911 63.237 62.300 0.043 0.000 1.112 338 V CB -0.373 31.472 31.823 0.037 0.000 0.738 338 V HN 0.577 nan 8.190 nan 0.000 0.469 339 N N 0.465 119.194 118.700 0.048 0.000 2.270 339 N HA -0.045 4.695 4.740 -0.000 0.000 0.181 339 N C 1.515 177.044 175.510 0.031 0.000 1.016 339 N CA 1.268 54.344 53.050 0.043 0.000 0.870 339 N CB 0.259 38.782 38.487 0.060 0.000 0.979 339 N HN 0.639 nan 8.380 nan 0.000 0.431 340 G N 1.315 110.131 108.800 0.026 0.000 2.157 340 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.239 340 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.239 340 G C 0.337 175.233 174.900 -0.006 0.000 0.982 340 G CA 0.630 45.733 45.100 0.006 0.000 0.650 340 G HN 0.609 nan 8.290 nan 0.000 0.527 341 D N -0.009 120.398 120.400 0.012 0.000 2.349 341 D HA 0.364 5.004 4.640 -0.000 0.000 0.224 341 D C 1.917 178.136 176.300 -0.136 0.000 1.029 341 D CA 0.938 54.941 54.000 0.005 0.000 0.879 341 D CB -0.525 40.342 40.800 0.113 0.000 0.906 341 D HN 1.618 nan 8.370 nan 0.000 0.528 342 G N -0.798 107.899 108.800 -0.171 0.000 2.217 342 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.246 342 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.246 342 G C -0.129 174.489 174.900 -0.471 0.000 0.990 342 G CA -0.054 44.834 45.100 -0.354 0.000 0.627 342 G HN 0.276 nan 8.290 nan 0.000 0.522 343 F N 0.613 120.553 119.950 -0.016 0.000 2.450 343 F HA 0.681 5.207 4.527 -0.000 0.000 0.332 343 F C 0.853 176.657 175.800 0.007 0.000 1.093 343 F CA -1.151 56.829 58.000 -0.034 0.000 1.003 343 F CB 1.920 40.862 39.000 -0.097 0.000 1.151 343 F HN -0.017 nan 8.300 nan 0.000 0.474 344 V N 2.907 122.977 119.914 0.259 0.000 2.740 344 V HA 0.069 4.189 4.120 -0.000 0.000 0.303 344 V C 0.048 176.340 176.094 0.331 0.000 1.054 344 V CA 0.138 62.616 62.300 0.296 0.000 1.106 344 V CB 0.865 32.937 31.823 0.414 0.000 0.957 344 V HN 0.611 nan 8.190 nan 0.000 0.486 345 E N 1.627 122.024 120.200 0.328 0.000 2.232 345 E HA 0.468 4.818 4.350 -0.000 0.000 0.264 345 E C 0.254 177.059 176.600 0.341 0.000 0.973 345 E CA -0.344 56.252 56.400 0.327 0.000 0.849 345 E CB 1.222 31.023 29.700 0.169 0.000 1.198 345 E HN 0.873 nan 8.360 nan 0.000 0.407 346 T N -1.380 113.301 114.554 0.211 0.000 2.680 346 T HA 0.095 4.445 4.350 -0.000 0.000 0.314 346 T C -1.626 172.881 174.700 -0.321 0.000 1.045 346 T CA -0.888 61.114 62.100 -0.164 0.000 1.025 346 T CB 0.415 69.147 68.868 -0.227 0.000 1.000 346 T HN 0.243 nan 8.240 nan 0.000 0.535 347 P HA -0.053 nan 4.420 nan 0.000 0.219 347 P C 1.544 178.715 177.300 -0.216 0.000 1.150 347 P CA 1.211 64.060 63.100 -0.418 0.000 0.814 347 P CB -0.148 31.244 31.700 -0.512 0.000 0.787 348 S N -1.035 114.546 115.700 -0.198 0.000 2.660 348 S HA 0.238 4.708 4.470 -0.000 0.000 0.223 348 S C 1.553 176.108 174.600 -0.076 0.000 0.963 348 S CA 0.581 58.711 58.200 -0.116 0.000 0.932 348 S CB -1.544 61.592 63.200 -0.107 0.000 0.775 348 S HN 0.331 nan 8.310 nan 0.000 0.531 349 G N 0.624 109.381 108.800 -0.072 0.000 2.159 349 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.256 349 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.256 349 G C -0.135 174.772 174.900 0.013 0.000 0.977 349 G CA 0.183 45.271 45.100 -0.019 0.000 0.652 349 G HN 0.618 nan 8.290 nan 0.000 0.531 350 K N 0.824 121.229 120.400 0.008 0.000 2.205 350 K HA 0.549 4.869 4.320 -0.000 0.000 0.279 350 K C 0.594 177.278 176.600 0.140 0.000 1.027 350 K CA -0.173 56.141 56.287 0.044 0.000 0.932 350 K CB 1.418 33.921 32.500 0.006 0.000 1.032 350 K HN 0.102 nan 8.250 nan 0.000 0.466 351 S N 2.063 117.842 115.700 0.131 0.000 2.585 351 S HA 0.490 4.960 4.470 -0.000 0.000 0.273 351 S C -0.865 173.885 174.600 0.250 0.000 1.339 351 S CA -0.529 57.767 58.200 0.159 0.000 1.028 351 S CB 0.050 63.294 63.200 0.072 0.000 0.906 351 S HN 0.454 nan 8.310 nan 0.000 0.528 352 F N 0.993 120.939 119.950 -0.007 0.000 2.678 352 F HA 0.690 5.217 4.527 -0.001 0.000 0.308 352 F C -1.134 174.632 175.800 -0.058 0.000 1.118 352 F CA -1.013 56.966 58.000 -0.035 0.000 0.959 352 F CB 1.102 40.075 39.000 -0.046 0.000 1.305 352 F HN 0.578 nan 8.300 nan 0.000 0.443 353 E N 3.681 123.847 120.200 -0.056 0.000 2.293 353 E HA 0.643 4.992 4.350 -0.000 0.000 0.270 353 E C -2.197 174.417 176.600 0.024 0.000 0.879 353 E CA -0.973 55.321 56.400 -0.176 0.000 0.756 353 E CB 2.577 32.182 29.700 -0.158 0.000 1.208 353 E HN 0.896 nan 8.360 nan 0.000 0.428 354 L N 4.176 125.411 121.223 0.019 0.000 2.305 354 L HA 0.411 4.750 4.340 -0.000 0.000 0.284 354 L C -0.385 176.522 176.870 0.061 0.000 1.013 354 L CA -0.959 53.946 54.840 0.108 0.000 0.819 354 L CB 1.283 43.476 42.059 0.224 0.000 1.227 354 L HN 0.516 nan 8.230 nan 0.000 0.417 355 L N 5.118 126.379 121.223 0.064 0.000 2.281 355 L HA 0.424 4.763 4.340 -0.000 0.000 0.285 355 L C -0.172 176.768 176.870 0.116 0.000 1.074 355 L CA -0.176 54.705 54.840 0.068 0.000 0.817 355 L CB 0.931 43.027 42.059 0.060 0.000 1.168 355 L HN 0.495 nan 8.230 nan 0.000 0.434 356 I N 3.897 124.539 120.570 0.120 0.000 2.307 356 I HA 0.225 4.395 4.170 -0.000 0.000 0.289 356 I C 0.143 176.385 176.117 0.209 0.000 1.021 356 I CA -0.376 61.033 61.300 0.181 0.000 1.224 356 I CB 1.235 39.322 38.000 0.145 0.000 1.376 356 I HN 0.637 nan 8.210 nan 0.000 0.470 357 Q N 4.381 124.333 119.800 0.254 0.000 2.293 357 Q HA 0.453 4.792 4.340 -0.000 0.000 0.251 357 Q C -0.329 175.895 176.000 0.373 0.000 0.930 357 Q CA -0.199 55.765 55.803 0.268 0.000 0.893 357 Q CB 1.856 30.721 28.738 0.212 0.000 1.215 357 Q HN 0.781 nan 8.270 nan 0.000 0.425 358 S N 2.088 117.958 115.700 0.282 0.000 2.543 358 S HA 0.491 4.961 4.470 -0.000 0.000 0.273 358 S C -2.940 171.533 174.600 -0.211 0.000 1.152 358 S CA -1.441 56.848 58.200 0.147 0.000 0.910 358 S CB 1.926 65.273 63.200 0.244 0.000 1.105 358 S HN 0.318 nan 8.310 nan 0.000 0.465 359 P HA 0.113 nan 4.420 nan 0.000 0.265 359 P C -0.408 176.605 177.300 -0.479 0.000 1.193 359 P CA -0.027 62.498 63.100 -0.959 0.000 0.765 359 P CB 0.029 30.542 31.700 -1.978 0.000 0.823 360 N N 2.191 120.756 118.700 -0.226 0.000 2.412 360 N HA 0.191 4.931 4.740 -0.000 0.000 0.258 360 N C 1.504 177.043 175.510 0.050 0.000 1.236 360 N CA 1.802 54.821 53.050 -0.051 0.000 0.882 360 N CB -0.328 38.151 38.487 -0.013 0.000 1.066 360 N HN 0.730 nan 8.380 nan 0.000 0.465 361 G N 2.216 111.071 108.800 0.093 0.000 2.241 361 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.244 361 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.244 361 G C -0.430 174.607 174.900 0.228 0.000 0.998 361 G CA 0.037 45.224 45.100 0.145 0.000 0.621 361 G HN 0.557 nan 8.290 nan 0.000 0.519 362 W N 3.029 124.247 121.300 -0.136 0.000 2.072 362 W HA 0.620 5.279 4.660 -0.000 0.000 0.413 362 W C 1.504 177.950 176.519 -0.122 0.000 0.865 362 W CA -0.079 57.138 57.345 -0.213 0.000 1.579 362 W CB -0.695 28.557 29.460 -0.346 0.000 1.720 362 W HN 0.092 nan 8.180 nan 0.000 0.301 363 T N 0.458 115.051 114.554 0.066 0.000 2.592 363 T HA -0.289 4.061 4.350 -0.000 0.000 0.267 363 T C 1.331 176.033 174.700 0.003 0.000 1.060 363 T CA 2.181 64.295 62.100 0.025 0.000 1.167 363 T CB -0.038 68.821 68.868 -0.015 0.000 0.863 363 T HN 0.264 nan 8.240 nan 0.000 0.431 364 D N 0.423 120.791 120.400 -0.052 0.000 2.116 364 D HA -0.064 4.576 4.640 -0.000 0.000 0.193 364 D C 1.964 178.266 176.300 0.004 0.000 0.998 364 D CA 1.134 54.998 54.000 -0.225 0.000 0.836 364 D CB -0.549 40.009 40.800 -0.403 0.000 0.951 364 D HN 0.467 nan 8.370 nan 0.000 0.449 365 F N 1.065 121.024 119.950 0.015 0.000 2.186 365 F HA -0.136 4.391 4.527 -0.000 0.000 0.299 365 F C 2.288 178.096 175.800 0.013 0.000 1.090 365 F CA 0.207 58.287 58.000 0.133 0.000 1.307 365 F CB -0.058 39.180 39.000 0.396 0.000 1.019 365 F HN -0.087 nan 8.300 nan 0.000 0.489 366 N N 0.636 119.472 118.700 0.226 0.000 2.084 366 N HA -0.174 4.566 4.740 -0.000 0.000 0.190 366 N C 1.315 176.851 175.510 0.043 0.000 1.030 366 N CA 1.182 54.301 53.050 0.115 0.000 0.849 366 N CB -0.838 37.697 38.487 0.081 0.000 1.012 366 N HN 0.265 nan 8.380 nan 0.000 0.423 367 N N 0.452 119.148 118.700 -0.007 0.000 2.223 367 N HA -0.060 4.680 4.740 -0.000 0.000 0.185 367 N C 1.580 177.051 175.510 -0.065 0.000 1.016 367 N CA 0.928 53.948 53.050 -0.052 0.000 0.863 367 N CB -0.639 37.786 38.487 -0.104 0.000 0.983 367 N HN 0.261 nan 8.380 nan 0.000 0.429 368 T N 0.960 115.450 114.554 -0.107 0.000 2.746 368 T HA -0.046 4.304 4.350 -0.000 0.000 0.267 368 T C 2.163 176.841 174.700 -0.035 0.000 1.039 368 T CA 0.832 62.844 62.100 -0.148 0.000 1.142 368 T CB -0.246 68.347 68.868 -0.459 0.000 0.866 368 T HN -0.023 nan 8.240 nan 0.000 0.444 369 V N 1.656 121.577 119.914 0.012 0.000 2.343 369 V HA -0.167 3.953 4.120 -0.000 0.000 0.247 369 V C 2.784 178.916 176.094 0.062 0.000 1.051 369 V CA 1.455 63.844 62.300 0.148 0.000 1.036 369 V CB -0.584 31.350 31.823 0.186 0.000 0.654 369 V HN 0.417 nan 8.190 nan 0.000 0.451 370 Q N -0.415 119.403 119.800 0.029 0.000 2.084 370 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 370 Q C 2.283 178.278 176.000 -0.009 0.000 0.978 370 Q CA 1.595 57.403 55.803 0.007 0.000 0.844 370 Q CB -0.394 28.344 28.738 0.001 0.000 0.898 370 Q HN 0.553 nan 8.270 nan 0.000 0.426 371 L N -0.014 121.202 121.223 -0.012 0.000 2.093 371 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 371 L C 2.449 179.297 176.870 -0.038 0.000 1.085 371 L CA 0.945 55.770 54.840 -0.025 0.000 0.755 371 L CB -0.570 41.473 42.059 -0.026 0.000 0.904 371 L HN 0.108 nan 8.230 nan 0.000 0.435 372 A N -0.319 122.492 122.820 -0.016 0.000 1.940 372 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 372 A C 2.318 179.797 177.584 -0.175 0.000 1.176 372 A CA 1.935 53.910 52.037 -0.104 0.000 0.631 372 A CB -0.835 18.076 19.000 -0.148 0.000 0.814 372 A HN 0.207 nan 8.150 nan 0.000 0.446 373 V N -0.106 119.743 119.914 -0.107 0.000 2.295 373 V HA -0.279 3.840 4.120 -0.000 0.000 0.246 373 V C 2.516 178.574 176.094 -0.061 0.000 1.049 373 V CA 2.329 64.575 62.300 -0.090 0.000 1.024 373 V CB -0.777 31.019 31.823 -0.044 0.000 0.648 373 V HN 0.788 nan 8.190 nan 0.000 0.447 374 E N 0.006 120.181 120.200 -0.042 0.000 2.058 374 E HA -0.298 4.052 4.350 -0.000 0.000 0.194 374 E C 2.281 178.864 176.600 -0.030 0.000 0.997 374 E CA 1.767 58.155 56.400 -0.020 0.000 0.801 374 E CB -0.109 29.581 29.700 -0.017 0.000 0.746 374 E HN 0.699 nan 8.360 nan 0.000 0.450 375 Q N 0.063 119.824 119.800 -0.065 0.000 2.119 375 Q HA -0.122 4.217 4.340 -0.000 0.000 0.201 375 Q C 2.411 178.354 176.000 -0.096 0.000 0.972 375 Q CA 1.198 56.957 55.803 -0.073 0.000 0.847 375 Q CB -0.029 28.636 28.738 -0.123 0.000 0.903 375 Q HN 0.362 nan 8.270 nan 0.000 0.433 376 L N 0.442 121.564 121.223 -0.169 0.000 2.141 376 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 376 L C 2.615 179.456 176.870 -0.049 0.000 1.094 376 L CA 1.048 55.763 54.840 -0.208 0.000 0.763 376 L CB -0.340 41.520 42.059 -0.332 0.000 0.908 376 L HN 0.326 nan 8.230 nan 0.000 0.437 377 Q N 0.291 120.102 119.800 0.018 0.000 2.226 377 Q HA -0.257 4.082 4.340 -0.000 0.000 0.204 377 Q C 1.793 177.830 176.000 0.061 0.000 0.975 377 Q CA 1.380 57.271 55.803 0.147 0.000 0.866 377 Q CB 0.167 29.003 28.738 0.165 0.000 0.915 377 Q HN 0.345 nan 8.270 nan 0.000 0.440 378 E N -0.556 119.654 120.200 0.018 0.000 2.418 378 E HA -0.095 4.255 4.350 -0.000 0.000 0.197 378 E C 1.293 177.892 176.600 -0.001 0.000 1.026 378 E CA 0.877 57.280 56.400 0.005 0.000 0.862 378 E CB 0.543 30.259 29.700 0.026 0.000 0.799 378 E HN 0.407 nan 8.360 nan 0.000 0.518 379 V N -4.655 115.260 119.914 0.002 0.000 3.319 379 V HA 0.526 4.646 4.120 -0.000 0.000 0.317 379 V C 1.136 177.249 176.094 0.033 0.000 1.411 379 V CA 0.318 62.620 62.300 0.002 0.000 1.112 379 V CB 0.127 31.936 31.823 -0.024 0.000 1.031 379 V HN 0.164 nan 8.190 nan 0.000 0.448 380 G N 1.144 109.977 108.800 0.055 0.000 2.176 380 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.253 380 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.253 380 G C -0.051 175.035 174.900 0.311 0.000 0.979 380 G CA 0.230 45.404 45.100 0.124 0.000 0.641 380 G HN 0.627 nan 8.290 nan 0.000 0.530 381 I N 0.969 121.677 120.570 0.230 0.000 2.342 381 I HA 0.288 4.458 4.170 -0.000 0.000 0.291 381 I C 0.472 176.598 176.117 0.016 0.000 1.010 381 I CA -0.671 60.721 61.300 0.152 0.000 1.308 381 I CB 1.317 39.378 38.000 0.102 0.000 1.400 381 I HN -0.181 nan 8.210 nan 0.000 0.488 382 K N 6.160 126.342 120.400 -0.363 0.000 2.273 382 K HA 0.590 4.910 4.320 -0.000 0.000 0.287 382 K C -0.771 175.588 176.600 -0.402 0.000 1.089 382 K CA -0.108 55.707 56.287 -0.787 0.000 0.909 382 K CB 1.056 32.866 32.500 -1.150 0.000 1.123 382 K HN 0.778 nan 8.250 nan 0.000 0.473 383 A N 4.166 126.831 122.820 -0.258 0.000 2.413 383 A HA 0.699 5.018 4.320 -0.000 0.000 0.307 383 A C -1.036 176.484 177.584 -0.106 0.000 1.087 383 A CA -0.778 51.186 52.037 -0.121 0.000 0.750 383 A CB 1.255 20.221 19.000 -0.056 0.000 1.296 383 A HN 0.595 nan 8.150 nan 0.000 0.423 384 K N 0.715 121.082 120.400 -0.054 0.000 2.443 384 K HA 0.637 4.957 4.320 -0.000 0.000 0.252 384 K C -0.458 176.149 176.600 0.011 0.000 0.933 384 K CA -0.518 55.750 56.287 -0.031 0.000 0.792 384 K CB 2.431 34.908 32.500 -0.038 0.000 1.185 384 K HN 0.900 nan 8.250 nan 0.000 0.425 385 A N 2.877 125.709 122.820 0.020 0.000 2.351 385 A HA 0.543 4.863 4.320 -0.000 0.000 0.257 385 A C -0.357 177.257 177.584 0.051 0.000 1.087 385 A CA -0.214 51.853 52.037 0.049 0.000 0.798 385 A CB 0.426 19.454 19.000 0.046 0.000 1.033 385 A HN 0.566 nan 8.150 nan 0.000 0.488 386 R N 0.292 120.837 120.500 0.074 0.000 2.668 386 R HA 0.526 4.866 4.340 -0.000 0.000 0.272 386 R C -1.209 175.134 176.300 0.072 0.000 1.019 386 R CA -0.194 55.944 56.100 0.064 0.000 0.894 386 R CB 1.803 32.143 30.300 0.068 0.000 1.228 386 R HN 0.856 nan 8.270 nan 0.000 0.460 387 T N -1.142 113.440 114.554 0.046 0.000 3.504 387 T HA 0.351 4.700 4.350 -0.000 0.000 0.286 387 T C -2.084 172.619 174.700 0.006 0.000 1.530 387 T CA -1.471 60.643 62.100 0.024 0.000 1.652 387 T CB 0.940 69.817 68.868 0.016 0.000 0.895 387 T HN 0.236 nan 8.240 nan 0.000 0.674 388 P HA 0.292 nan 4.420 nan 0.000 0.274 388 P C -0.079 177.208 177.300 -0.021 0.000 1.246 388 P CA -0.281 62.826 63.100 0.012 0.000 0.795 388 P CB 0.923 32.645 31.700 0.035 0.000 1.006 389 E N 0.333 120.530 120.200 -0.005 0.000 2.418 389 E HA -0.035 4.315 4.350 -0.000 0.000 0.261 389 E C 0.925 177.523 176.600 -0.004 0.000 1.070 389 E CA -0.072 56.332 56.400 0.007 0.000 0.931 389 E CB 0.053 29.776 29.700 0.037 0.000 0.954 389 E HN 0.447 nan 8.360 nan 0.000 0.439 390 F N 2.700 122.562 119.950 -0.147 0.000 2.115 390 F HA -0.321 4.206 4.527 -0.000 0.000 0.300 390 F C 1.957 177.762 175.800 0.009 0.000 1.092 390 F CA 2.274 60.170 58.000 -0.174 0.000 1.245 390 F CB -0.222 38.706 39.000 -0.120 0.000 0.995 390 F HN 0.564 nan 8.300 nan 0.000 0.481 391 A N -0.206 122.609 122.820 -0.008 0.000 1.883 391 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 391 A C 2.329 179.817 177.584 -0.159 0.000 1.186 391 A CA 2.315 54.300 52.037 -0.086 0.000 0.624 391 A CB -1.415 17.608 19.000 0.038 0.000 0.822 391 A HN 0.294 nan 8.150 nan 0.000 0.444 392 V N -1.204 118.658 119.914 -0.087 0.000 2.307 392 V HA -0.257 3.863 4.120 -0.000 0.000 0.245 392 V C 2.416 178.443 176.094 -0.111 0.000 1.045 392 V CA 1.979 64.234 62.300 -0.075 0.000 1.024 392 V CB -1.152 30.655 31.823 -0.027 0.000 0.651 392 V HN 0.752 nan 8.190 nan 0.000 0.449 393 Y N 2.177 122.307 120.300 -0.284 0.000 2.193 393 Y HA -0.315 4.235 4.550 -0.000 0.000 0.285 393 Y C 2.336 177.958 175.900 -0.463 0.000 1.166 393 Y CA 2.327 60.226 58.100 -0.336 0.000 1.181 393 Y CB -0.539 37.704 38.460 -0.362 0.000 0.976 393 Y HN 0.399 nan 8.280 nan 0.000 0.520 394 N N -0.104 118.320 118.700 -0.461 0.000 2.135 394 N HA -0.201 4.539 4.740 -0.000 0.000 0.186 394 N C 2.054 177.318 175.510 -0.409 0.000 1.027 394 N CA 1.560 54.244 53.050 -0.611 0.000 0.849 394 N CB -0.477 37.526 38.487 -0.806 0.000 1.002 394 N HN 0.600 nan 8.380 nan 0.000 0.425 395 Q N -0.499 119.135 119.800 -0.277 0.000 2.135 395 Q HA -0.103 4.236 4.340 -0.000 0.000 0.204 395 Q C 1.772 177.689 176.000 -0.138 0.000 0.981 395 Q CA 1.552 57.256 55.803 -0.164 0.000 0.856 395 Q CB -0.240 28.434 28.738 -0.106 0.000 0.902 395 Q HN 0.525 nan 8.270 nan 0.000 0.425 396 A N 0.100 122.820 122.820 -0.166 0.000 2.019 396 A HA -0.163 4.156 4.320 -0.000 0.000 0.219 396 A C 1.902 179.456 177.584 -0.050 0.000 1.164 396 A CA 1.365 53.351 52.037 -0.086 0.000 0.644 396 A CB -0.342 18.609 19.000 -0.082 0.000 0.805 396 A HN 0.436 nan 8.150 nan 0.000 0.449 397 M N -1.327 118.095 119.600 -0.297 0.000 2.248 397 M HA 0.019 4.499 4.480 -0.000 0.000 0.265 397 M C 1.606 177.890 176.300 -0.026 0.000 1.079 397 M CA 0.802 55.897 55.300 -0.343 0.000 1.150 397 M CB -0.224 31.930 32.600 -0.742 0.000 1.366 397 M HN 0.274 nan 8.290 nan 0.000 0.433 398 L N 0.348 121.516 121.223 -0.091 0.000 2.275 398 L HA -0.118 4.222 4.340 -0.000 0.000 0.215 398 L C 1.826 178.758 176.870 0.104 0.000 1.119 398 L CA 1.732 56.572 54.840 0.000 0.000 0.790 398 L CB -0.796 41.227 42.059 -0.060 0.000 0.919 398 L HN 0.321 nan 8.230 nan 0.000 0.443 399 E N -1.100 119.144 120.200 0.073 0.000 2.472 399 E HA 0.197 4.546 4.350 -0.000 0.000 0.196 399 E C 1.120 177.749 176.600 0.047 0.000 1.033 399 E CA 0.444 56.872 56.400 0.047 0.000 0.886 399 E CB 0.190 29.895 29.700 0.007 0.000 0.944 399 E HN 0.404 nan 8.360 nan 0.000 0.492 400 G N 2.325 111.238 108.800 0.189 0.000 2.273 400 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.280 400 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.280 400 G C 0.833 175.760 174.900 0.045 0.000 1.047 400 G CA 0.897 46.090 45.100 0.155 0.000 0.869 400 G HN 0.398 nan 8.290 nan 0.000 0.502 401 T N -3.108 111.515 114.554 0.115 0.000 3.022 401 T HA 0.396 4.745 4.350 -0.000 0.000 0.250 401 T C 1.133 175.874 174.700 0.068 0.000 1.060 401 T CA 0.715 62.840 62.100 0.043 0.000 1.013 401 T CB 0.113 68.998 68.868 0.029 0.000 0.982 401 T HN 1.213 nan 8.240 nan 0.000 0.508 402 Y N 1.246 121.530 120.300 -0.027 0.000 2.260 402 Y HA 0.632 5.182 4.550 -0.000 0.000 0.339 402 Y C 0.422 176.321 175.900 -0.001 0.000 1.317 402 Y CA -1.203 56.882 58.100 -0.026 0.000 1.514 402 Y CB 0.312 38.734 38.460 -0.064 0.000 1.382 402 Y HN -0.232 nan 8.280 nan 0.000 0.581 403 D N 0.180 120.518 120.400 -0.105 0.000 3.012 403 D HA 0.199 4.839 4.640 -0.000 0.000 0.284 403 D C -0.553 175.649 176.300 -0.162 0.000 1.259 403 D CA 0.830 54.713 54.000 -0.196 0.000 1.036 403 D CB 0.168 40.959 40.800 -0.016 0.000 1.167 403 D HN 0.346 nan 8.370 nan 0.000 0.429 404 V N 0.115 120.138 119.914 0.182 0.000 2.841 404 V HA 0.811 4.931 4.120 -0.000 0.000 0.310 404 V C -1.056 175.299 176.094 0.435 0.000 1.090 404 V CA -1.069 61.413 62.300 0.303 0.000 0.930 404 V CB 2.047 33.977 31.823 0.179 0.000 1.014 404 V HN 0.291 nan 8.190 nan 0.000 0.425 405 A N 2.916 125.998 122.820 0.437 0.000 2.459 405 A HA 0.742 5.062 4.320 -0.000 0.000 0.296 405 A C -1.702 176.131 177.584 0.414 0.000 1.039 405 A CA -0.507 51.719 52.037 0.315 0.000 0.698 405 A CB 1.210 20.121 19.000 -0.148 0.000 1.261 405 A HN 0.894 nan 8.150 nan 0.000 0.405 406 Y N 1.418 121.928 120.300 0.351 0.000 2.304 406 Y HA 0.594 5.143 4.550 -0.000 0.000 0.328 406 Y C 0.600 176.533 175.900 0.056 0.000 1.123 406 Y CA 1.180 59.316 58.100 0.061 0.000 1.218 406 Y CB 1.217 39.632 38.460 -0.075 0.000 1.207 406 Y HN 0.819 nan 8.280 nan 0.000 0.495 407 T N 5.433 119.587 114.554 -0.666 0.000 2.840 407 T HA 0.319 4.669 4.350 -0.000 0.000 0.317 407 T C -1.377 173.050 174.700 -0.455 0.000 1.401 407 T CA -0.919 60.994 62.100 -0.311 0.000 1.028 407 T CB 0.736 69.487 68.868 -0.195 0.000 1.317 407 T HN 0.897 nan 8.240 nan 0.000 0.495 408 N N 0.839 119.521 118.700 -0.030 0.000 2.502 408 N HA 0.728 5.467 4.740 -0.000 0.000 0.280 408 N C -1.337 174.133 175.510 -0.067 0.000 1.223 408 N CA -0.774 52.300 53.050 0.040 0.000 0.966 408 N CB 1.447 40.119 38.487 0.308 0.000 1.203 408 N HN 0.492 nan 8.380 nan 0.000 0.565 409 Y N -1.720 118.597 120.300 0.028 0.000 2.609 409 Y HA 0.412 4.962 4.550 -0.000 0.000 0.342 409 Y C -0.587 175.152 175.900 -0.268 0.000 1.058 409 Y CA -1.059 56.949 58.100 -0.153 0.000 1.055 409 Y CB 1.120 39.621 38.460 0.068 0.000 1.292 409 Y HN 0.365 nan 8.280 nan 0.000 0.476 410 F N 0.622 120.460 119.950 -0.186 0.000 2.490 410 F HA 0.199 4.726 4.527 -0.000 0.000 0.336 410 F C 0.244 176.111 175.800 0.112 0.000 1.178 410 F CA 0.372 58.335 58.000 -0.061 0.000 1.301 410 F CB 0.312 39.224 39.000 -0.146 0.000 1.175 410 F HN 0.408 nan 8.300 nan 0.000 0.593 411 H N 0.718 119.926 119.070 0.230 0.000 2.906 411 H HA 0.501 5.057 4.556 -0.000 0.000 0.324 411 H C -0.033 175.439 175.328 0.240 0.000 0.973 411 H CA -0.599 55.557 56.048 0.180 0.000 1.321 411 H CB 0.667 30.474 29.762 0.075 0.000 1.535 411 H HN 0.632 nan 8.280 nan 0.000 0.518 412 G N 1.650 110.429 108.800 -0.035 0.000 2.532 412 G HA2 0.435 4.394 3.960 -0.000 0.000 0.291 412 G HA3 0.435 4.394 3.960 -0.000 0.000 0.291 412 G C 0.676 175.520 174.900 -0.094 0.000 1.349 412 G CA -0.213 44.856 45.100 -0.052 0.000 1.038 412 G HN 0.756 nan 8.290 nan 0.000 0.518 413 A N -1.116 121.629 122.820 -0.125 0.000 2.119 413 A HA 0.295 4.615 4.320 -0.000 0.000 0.216 413 A C 0.800 178.348 177.584 -0.060 0.000 1.152 413 A CA 1.719 53.697 52.037 -0.100 0.000 0.708 413 A CB -0.443 18.248 19.000 -0.515 0.000 0.805 413 A HN 0.765 nan 8.150 nan 0.000 0.460 414 D N -3.813 116.355 120.400 -0.388 0.000 2.610 414 D HA 0.350 4.989 4.640 -0.000 0.000 0.271 414 D C -2.550 172.815 176.300 -1.558 0.000 1.174 414 D CA -1.470 51.924 54.000 -1.010 0.000 0.949 414 D CB 0.430 40.852 40.800 -0.630 0.000 1.430 414 D HN -0.153 nan 8.370 nan 0.000 0.467 415 P HA -0.122 nan 4.420 nan 0.000 0.223 415 P C 1.354 178.055 177.300 -0.997 0.000 1.144 415 P CA 0.645 62.754 63.100 -1.652 0.000 0.783 415 P CB -0.003 30.541 31.700 -1.928 0.000 0.771 416 F N 1.949 121.280 119.950 -1.031 0.000 2.043 416 F HA -0.248 4.279 4.527 -0.000 0.000 0.297 416 F C 2.242 177.834 175.800 -0.346 0.000 1.118 416 F CA 2.441 59.981 58.000 -0.767 0.000 1.202 416 F CB -1.322 37.218 39.000 -0.767 0.000 0.965 416 F HN -0.110 nan 8.300 nan 0.000 0.482 417 T N -0.462 113.987 114.554 -0.175 0.000 2.653 417 T HA -0.335 4.014 4.350 -0.000 0.000 0.268 417 T C 1.538 176.132 174.700 -0.177 0.000 1.035 417 T CA 2.064 64.090 62.100 -0.124 0.000 1.154 417 T CB -0.864 68.022 68.868 0.030 0.000 0.862 417 T HN 0.562 nan 8.240 nan 0.000 0.441 418 Y N 0.108 120.244 120.300 -0.274 0.000 2.133 418 Y HA -0.117 4.433 4.550 -0.000 0.000 0.287 418 Y C 2.120 177.946 175.900 -0.124 0.000 1.134 418 Y CA 1.124 59.081 58.100 -0.237 0.000 1.133 418 Y CB -0.449 37.810 38.460 -0.336 0.000 0.987 418 Y HN 0.211 nan 8.280 nan 0.000 0.502 419 W N 0.751 121.769 121.300 -0.470 0.000 2.388 419 W HA -0.143 4.517 4.660 -0.000 0.000 0.294 419 W C 2.344 178.614 176.519 -0.415 0.000 1.212 419 W CA 1.483 58.546 57.345 -0.471 0.000 1.271 419 W CB -1.400 27.789 29.460 -0.451 0.000 1.126 419 W HN 0.275 nan 8.180 nan 0.000 0.535 420 N N 0.354 118.779 118.700 -0.458 0.000 2.092 420 N HA -0.172 4.568 4.740 -0.000 0.000 0.189 420 N C 2.076 177.447 175.510 -0.231 0.000 1.040 420 N CA 2.706 55.453 53.050 -0.505 0.000 0.845 420 N CB -0.582 37.220 38.487 -1.143 0.000 1.017 420 N HN -0.070 nan 8.380 nan 0.000 0.426 421 S N -1.485 114.089 115.700 -0.210 0.000 2.399 421 S HA -0.003 4.467 4.470 -0.000 0.000 0.231 421 S C 2.028 176.635 174.600 0.010 0.000 1.022 421 S CA 1.148 59.324 58.200 -0.041 0.000 0.983 421 S CB -0.883 62.306 63.200 -0.019 0.000 0.803 421 S HN 0.396 nan 8.310 nan 0.000 0.480 422 G N -1.177 107.559 108.800 -0.108 0.000 2.683 422 G HA2 0.230 4.190 3.960 -0.000 0.000 0.213 422 G HA3 0.230 4.190 3.960 -0.000 0.000 0.213 422 G C 0.729 175.367 174.900 -0.437 0.000 1.142 422 G CA 0.204 45.168 45.100 -0.227 0.000 0.793 422 G HN 0.646 nan 8.290 nan 0.000 0.534 423 Y N -1.300 118.978 120.300 -0.037 0.000 2.590 423 Y HA 0.329 4.879 4.550 -0.000 0.000 0.263 423 Y C 0.771 176.680 175.900 0.015 0.000 1.069 423 Y CA -1.101 57.048 58.100 0.082 0.000 1.242 423 Y CB 0.389 38.849 38.460 -0.000 0.000 1.357 423 Y HN -0.027 nan 8.280 nan 0.000 0.556 424 N N 1.706 120.445 118.700 0.064 0.000 2.438 424 N HA -0.057 4.683 4.740 -0.000 0.000 0.267 424 N C 1.341 176.850 175.510 -0.001 0.000 1.222 424 N CA 0.899 53.961 53.050 0.020 0.000 0.930 424 N CB 1.235 39.717 38.487 -0.008 0.000 1.083 424 N HN 0.340 nan 8.380 nan 0.000 0.476 425 S N 3.224 118.925 115.700 0.001 0.000 2.419 425 S HA -0.172 4.298 4.470 -0.000 0.000 0.235 425 S C 1.727 176.315 174.600 -0.020 0.000 1.019 425 S CA 1.057 59.242 58.200 -0.024 0.000 0.982 425 S CB -0.155 63.020 63.200 -0.042 0.000 0.789 425 S HN 0.579 nan 8.310 nan 0.000 0.490 426 A N 0.628 123.445 122.820 -0.005 0.000 2.119 426 A HA 0.283 4.603 4.320 -0.000 0.000 0.217 426 A C 1.827 179.413 177.584 0.003 0.000 1.153 426 A CA 0.781 52.822 52.037 0.006 0.000 0.692 426 A CB -0.448 18.566 19.000 0.022 0.000 0.799 426 A HN 0.508 nan 8.150 nan 0.000 0.458 427 L N -0.677 120.539 121.223 -0.012 0.000 2.592 427 L HA 0.100 4.440 4.340 -0.000 0.000 0.227 427 L C 1.896 178.731 176.870 -0.058 0.000 1.127 427 L CA 0.985 55.814 54.840 -0.019 0.000 0.884 427 L CB -0.522 41.529 42.059 -0.012 0.000 1.065 427 L HN 0.428 nan 8.230 nan 0.000 0.457 428 Q N -0.787 118.967 119.800 -0.077 0.000 2.444 428 Q HA 0.116 4.456 4.340 -0.000 0.000 0.206 428 Q C 0.183 176.192 176.000 0.015 0.000 0.948 428 Q CA 0.164 55.899 55.803 -0.112 0.000 0.946 428 Q CB 0.250 28.904 28.738 -0.140 0.000 1.027 428 Q HN 0.515 nan 8.270 nan 0.000 0.513 429 S N -2.080 113.630 115.700 0.018 0.000 2.625 429 S HA 0.836 5.306 4.470 -0.000 0.000 0.271 429 S C -0.244 174.370 174.600 0.022 0.000 1.161 429 S CA -0.424 57.800 58.200 0.039 0.000 0.820 429 S CB 2.042 65.271 63.200 0.048 0.000 1.137 429 S HN 0.311 nan 8.310 nan 0.000 0.470 430 G N 0.438 109.252 108.800 0.022 0.000 2.555 430 G HA2 0.249 4.209 3.960 -0.000 0.000 0.686 430 G HA3 0.249 4.209 3.960 -0.000 0.000 0.686 430 G C -1.551 173.357 174.900 0.014 0.000 1.275 430 G CA -0.365 44.744 45.100 0.016 0.000 0.871 430 G HN 1.042 nan 8.290 nan 0.000 0.603 431 D N -0.151 120.256 120.400 0.012 0.000 2.225 431 D HA 0.599 5.239 4.640 -0.000 0.000 0.248 431 D C 1.232 177.540 176.300 0.013 0.000 1.096 431 D CA 1.450 55.456 54.000 0.010 0.000 0.863 431 D CB 0.778 41.583 40.800 0.008 0.000 1.156 431 D HN 2.037 nan 8.370 nan 0.000 0.450 432 G N 2.810 111.617 108.800 0.013 0.000 2.132 432 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.228 432 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.228 432 G C 0.220 175.136 174.900 0.026 0.000 1.000 432 G CA 0.231 45.343 45.100 0.020 0.000 0.693 432 G HN 0.502 nan 8.290 nan 0.000 0.515 433 M N 1.744 121.351 119.600 0.013 0.000 2.274 433 M HA 0.562 5.042 4.480 -0.000 0.000 0.344 433 M C -1.274 175.021 176.300 -0.007 0.000 1.161 433 M CA -2.156 53.152 55.300 0.013 0.000 1.126 433 M CB 0.744 33.343 32.600 -0.003 0.000 1.522 433 M HN 0.129 nan 8.290 nan 0.000 0.461 434 P HA 0.246 nan 4.420 nan 0.000 0.279 434 P C -0.598 176.566 177.300 -0.227 0.000 1.282 434 P CA -0.284 62.779 63.100 -0.062 0.000 0.788 434 P CB 0.458 32.234 31.700 0.128 0.000 1.139 435 R N -0.962 119.245 120.500 -0.488 0.000 2.200 435 R HA 0.016 4.356 4.340 -0.000 0.000 0.208 435 R C 1.672 177.678 176.300 -0.489 0.000 1.033 435 R CA 0.764 56.547 56.100 -0.528 0.000 1.000 435 R CB -1.045 28.880 30.300 -0.624 0.000 0.906 435 R HN 0.140 nan 8.270 nan 0.000 0.462 436 F N 2.349 122.217 119.950 -0.137 0.000 2.141 436 F HA -0.193 4.333 4.527 -0.000 0.000 0.300 436 F C 2.427 178.117 175.800 -0.184 0.000 1.079 436 F CA 1.595 59.521 58.000 -0.123 0.000 1.264 436 F CB -0.501 38.523 39.000 0.039 0.000 1.011 436 F HN 0.226 nan 8.300 nan 0.000 0.487 437 A N -1.227 121.504 122.820 -0.148 0.000 2.348 437 A HA 0.191 4.511 4.320 -0.000 0.000 0.224 437 A C 1.390 178.486 177.584 -0.813 0.000 1.227 437 A CA -0.089 51.673 52.037 -0.459 0.000 0.885 437 A CB -0.429 18.400 19.000 -0.286 0.000 0.933 437 A HN 0.076 nan 8.150 nan 0.000 0.506 438 M N 2.145 121.381 119.600 -0.607 0.000 3.543 438 M HA 0.005 4.484 4.480 -0.000 0.000 0.181 438 M C 0.972 176.936 176.300 -0.560 0.000 1.448 438 M CA 0.488 55.333 55.300 -0.759 0.000 1.587 438 M CB -1.747 30.565 32.600 -0.481 0.000 1.380 438 M HN 0.691 nan 8.290 nan 0.000 0.447 439 H N -2.876 116.047 119.070 -0.244 0.000 2.648 439 H HA 0.041 4.597 4.556 -0.000 0.000 0.265 439 H C -0.103 175.372 175.328 0.244 0.000 0.961 439 H CA -0.080 56.056 56.048 0.147 0.000 1.185 439 H CB 0.081 29.983 29.762 0.233 0.000 1.449 439 H HN 0.394 nan 8.280 nan 0.000 0.523 440 Y N -0.739 119.717 120.300 0.261 0.000 4.668 440 Y HA -0.249 4.301 4.550 -0.000 0.000 0.234 440 Y C 0.011 175.969 175.900 0.097 0.000 1.056 440 Y CA 0.335 58.535 58.100 0.167 0.000 2.025 440 Y CB -2.793 35.752 38.460 0.141 0.000 1.613 440 Y HN 0.380 nan 8.280 nan 0.000 0.653 441 F N 1.341 121.307 119.950 0.026 0.000 2.412 441 F HA 0.596 5.122 4.527 -0.000 0.000 0.348 441 F C 0.539 176.237 175.800 -0.170 0.000 1.102 441 F CA -0.065 57.598 58.000 -0.561 0.000 1.196 441 F CB 0.960 39.252 39.000 -1.180 0.000 1.144 441 F HN -0.076 nan 8.300 nan 0.000 0.541 442 T N 4.879 118.792 114.554 -1.069 0.000 2.893 442 T HA 0.393 4.742 4.350 -0.000 0.000 0.291 442 T C -1.865 172.268 174.700 -0.945 0.000 1.028 442 T CA -0.565 61.091 62.100 -0.740 0.000 0.995 442 T CB 1.464 70.124 68.868 -0.347 0.000 1.051 442 T HN 0.642 nan 8.240 nan 0.000 0.470 443 D N 0.936 121.025 120.400 -0.519 0.000 2.548 443 D HA 0.317 4.957 4.640 -0.000 0.000 0.214 443 D C 0.474 176.682 176.300 -0.153 0.000 1.345 443 D CA -0.561 53.246 54.000 -0.320 0.000 0.945 443 D CB 0.971 41.633 40.800 -0.231 0.000 1.499 443 D HN 0.171 nan 8.370 nan 0.000 0.579 444 K N 2.149 122.480 120.400 -0.114 0.000 2.103 444 K HA -0.126 4.194 4.320 -0.000 0.000 0.207 444 K C 1.490 178.064 176.600 -0.044 0.000 1.048 444 K CA 1.323 57.570 56.287 -0.067 0.000 0.930 444 K CB -0.080 32.389 32.500 -0.053 0.000 0.716 444 K HN 0.350 nan 8.250 nan 0.000 0.444 445 K N 0.417 120.793 120.400 -0.041 0.000 2.001 445 K HA -0.073 4.247 4.320 -0.000 0.000 0.208 445 K C 2.043 178.623 176.600 -0.033 0.000 1.048 445 K CA 1.193 57.464 56.287 -0.027 0.000 0.932 445 K CB -0.481 32.007 32.500 -0.020 0.000 0.715 445 K HN 0.028 nan 8.250 nan 0.000 0.437 446 L N 2.351 123.546 121.223 -0.046 0.000 1.997 446 L HA -0.262 4.078 4.340 -0.000 0.000 0.216 446 L C 1.435 178.273 176.870 -0.053 0.000 1.074 446 L CA 2.067 56.866 54.840 -0.068 0.000 0.763 446 L CB -0.696 41.335 42.059 -0.047 0.000 0.890 446 L HN 0.141 nan 8.230 nan 0.000 0.434 447 D N -0.132 120.249 120.400 -0.033 0.000 2.123 447 D HA -0.152 4.488 4.640 -0.000 0.000 0.196 447 D C 2.166 178.471 176.300 0.009 0.000 0.992 447 D CA 1.495 55.488 54.000 -0.010 0.000 0.833 447 D CB -0.746 40.047 40.800 -0.012 0.000 0.954 447 D HN 0.569 nan 8.370 nan 0.000 0.455 448 G N 0.829 109.631 108.800 0.002 0.000 2.446 448 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 448 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 448 G C 1.777 176.697 174.900 0.032 0.000 1.168 448 G CA 0.614 45.724 45.100 0.017 0.000 0.771 448 G HN 0.276 nan 8.290 nan 0.000 0.551 449 L N -0.183 121.050 121.223 0.017 0.000 2.046 449 L HA -0.003 4.337 4.340 -0.000 0.000 0.208 449 L C 2.936 179.857 176.870 0.086 0.000 1.077 449 L CA 0.543 55.404 54.840 0.035 0.000 0.747 449 L CB -0.540 41.514 42.059 -0.010 0.000 0.896 449 L HN 0.168 nan 8.230 nan 0.000 0.432 450 L N -0.255 121.000 121.223 0.053 0.000 2.042 450 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 450 L C 1.945 178.963 176.870 0.247 0.000 1.076 450 L CA 1.120 56.028 54.840 0.113 0.000 0.749 450 L CB -0.592 41.471 42.059 0.006 0.000 0.893 450 L HN 0.271 nan 8.230 nan 0.000 0.432 451 D N -0.986 119.513 120.400 0.165 0.000 2.371 451 D HA -0.083 4.557 4.640 -0.000 0.000 0.221 451 D C 2.023 178.410 176.300 0.146 0.000 0.986 451 D CA 1.168 55.271 54.000 0.171 0.000 0.899 451 D CB 0.131 41.000 40.800 0.115 0.000 0.902 451 D HN 0.370 nan 8.370 nan 0.000 0.530 452 S N -1.340 114.440 115.700 0.133 0.000 2.559 452 S HA 0.053 4.523 4.470 -0.000 0.000 0.226 452 S C 1.627 176.268 174.600 0.068 0.000 1.000 452 S CA -0.625 57.627 58.200 0.087 0.000 0.948 452 S CB -0.433 62.803 63.200 0.060 0.000 0.870 452 S HN 0.132 nan 8.310 nan 0.000 0.497 453 F N 2.093 122.002 119.950 -0.069 0.000 2.120 453 F HA -0.081 4.446 4.527 -0.000 0.000 0.300 453 F C 1.157 176.748 175.800 -0.349 0.000 1.095 453 F CA 1.459 59.324 58.000 -0.226 0.000 1.249 453 F CB -0.046 38.775 39.000 -0.298 0.000 0.995 453 F HN 0.252 nan 8.300 nan 0.000 0.480 454 Y N -0.384 119.860 120.300 -0.094 0.000 2.607 454 Y HA 0.237 4.787 4.550 -0.000 0.000 0.266 454 Y C 0.962 176.774 175.900 -0.145 0.000 1.178 454 Y CA -0.485 57.480 58.100 -0.225 0.000 1.226 454 Y CB -0.326 37.963 38.460 -0.285 0.000 1.144 454 Y HN -0.176 nan 8.280 nan 0.000 0.528 455 K N 0.449 120.862 120.400 0.021 0.000 2.500 455 K HA 0.203 4.523 4.320 -0.000 0.000 0.206 455 K C 0.138 176.734 176.600 -0.007 0.000 1.034 455 K CA 0.156 56.455 56.287 0.020 0.000 1.179 455 K CB 0.294 32.816 32.500 0.036 0.000 0.884 455 K HN 0.142 nan 8.250 nan 0.000 0.493 456 T N -1.859 112.675 114.554 -0.034 0.000 3.097 456 T HA 0.486 4.835 4.350 -0.000 0.000 0.332 456 T C -0.556 174.116 174.700 -0.047 0.000 1.269 456 T CA -0.380 61.696 62.100 -0.040 0.000 1.076 456 T CB 1.399 70.235 68.868 -0.053 0.000 1.209 456 T HN -0.006 nan 8.240 nan 0.000 0.474 457 A N 2.756 125.563 122.820 -0.021 0.000 2.308 457 A HA 0.292 4.612 4.320 -0.000 0.000 0.217 457 A C 0.761 178.340 177.584 -0.009 0.000 1.216 457 A CA -0.037 51.999 52.037 -0.001 0.000 0.864 457 A CB -0.066 18.949 19.000 0.026 0.000 0.902 457 A HN 0.783 nan 8.150 nan 0.000 0.499 458 D N 0.643 121.025 120.400 -0.030 0.000 2.374 458 D HA 0.090 4.730 4.640 -0.000 0.000 0.240 458 D C 1.114 177.383 176.300 -0.053 0.000 1.229 458 D CA -0.010 53.969 54.000 -0.035 0.000 0.895 458 D CB 0.969 41.749 40.800 -0.034 0.000 1.046 458 D HN 0.140 nan 8.370 nan 0.000 0.498 459 K N 4.144 124.516 120.400 -0.047 0.000 2.034 459 K HA -0.228 4.092 4.320 -0.000 0.000 0.214 459 K C 1.311 177.855 176.600 -0.094 0.000 1.051 459 K CA 1.605 57.851 56.287 -0.069 0.000 0.931 459 K CB -0.037 32.423 32.500 -0.066 0.000 0.715 459 K HN 0.346 nan 8.250 nan 0.000 0.446 460 N N 0.518 119.169 118.700 -0.081 0.000 2.223 460 N HA -0.165 4.575 4.740 -0.000 0.000 0.185 460 N C 1.704 177.169 175.510 -0.074 0.000 1.016 460 N CA 1.328 54.328 53.050 -0.084 0.000 0.863 460 N CB -0.119 38.331 38.487 -0.061 0.000 0.983 460 N HN 0.520 nan 8.380 nan 0.000 0.429 461 E N 1.126 121.291 120.200 -0.059 0.000 2.047 461 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 461 E C 1.936 178.504 176.600 -0.053 0.000 0.987 461 E CA 0.841 57.212 56.400 -0.047 0.000 0.799 461 E CB 0.012 29.687 29.700 -0.042 0.000 0.752 461 E HN 0.299 nan 8.360 nan 0.000 0.449 462 Q N 0.125 119.874 119.800 -0.086 0.000 2.096 462 Q HA -0.196 4.143 4.340 -0.000 0.000 0.204 462 Q C 2.300 178.324 176.000 0.041 0.000 0.982 462 Q CA 1.353 57.078 55.803 -0.130 0.000 0.850 462 Q CB -0.103 28.486 28.738 -0.249 0.000 0.901 462 Q HN 0.329 nan 8.270 nan 0.000 0.422 463 L N 0.435 121.654 121.223 -0.006 0.000 2.083 463 L HA -0.079 4.261 4.340 -0.000 0.000 0.209 463 L C 2.123 178.891 176.870 -0.170 0.000 1.083 463 L CA 2.189 57.004 54.840 -0.043 0.000 0.752 463 L CB -0.942 40.991 42.059 -0.210 0.000 0.899 463 L HN 0.246 nan 8.230 nan 0.000 0.433 464 A N -0.345 122.400 122.820 -0.125 0.000 1.898 464 A HA -0.147 4.172 4.320 -0.000 0.000 0.216 464 A C 2.259 179.863 177.584 0.035 0.000 1.181 464 A CA 1.871 53.859 52.037 -0.082 0.000 0.620 464 A CB -0.791 18.194 19.000 -0.024 0.000 0.819 464 A HN 0.499 nan 8.150 nan 0.000 0.442 465 I N -0.163 120.450 120.570 0.071 0.000 2.286 465 I HA -0.289 3.880 4.170 -0.000 0.000 0.248 465 I C 2.935 179.169 176.117 0.195 0.000 1.115 465 I CA 0.957 62.333 61.300 0.126 0.000 1.392 465 I CB -0.359 37.730 38.000 0.149 0.000 1.065 465 I HN 0.368 nan 8.210 nan 0.000 0.418 466 A N 0.455 123.468 122.820 0.321 0.000 1.877 466 A HA -0.251 4.069 4.320 -0.000 0.000 0.216 466 A C 2.139 179.935 177.584 0.353 0.000 1.186 466 A CA 1.743 54.055 52.037 0.458 0.000 0.620 466 A CB -0.901 18.541 19.000 0.736 0.000 0.822 466 A HN 0.382 nan 8.150 nan 0.000 0.443 467 H N -0.338 118.854 119.070 0.203 0.000 2.422 467 H HA -0.069 4.487 4.556 -0.000 0.000 0.298 467 H C 2.348 177.693 175.328 0.028 0.000 1.098 467 H CA 0.863 56.990 56.048 0.133 0.000 1.315 467 H CB -0.952 28.890 29.762 0.133 0.000 1.382 467 H HN 0.474 nan 8.280 nan 0.000 0.523 468 G N 0.094 108.973 108.800 0.132 0.000 2.408 468 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.217 468 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.217 468 G C 1.828 176.657 174.900 -0.118 0.000 1.150 468 G CA 0.745 45.858 45.100 0.020 0.000 0.776 468 G HN 0.348 nan 8.290 nan 0.000 0.542 469 I N 0.077 120.496 120.570 -0.253 0.000 2.202 469 I HA -0.154 4.016 4.170 -0.000 0.000 0.242 469 I C 2.801 178.488 176.117 -0.716 0.000 1.091 469 I CA 1.331 62.280 61.300 -0.584 0.000 1.368 469 I CB -0.260 37.138 38.000 -1.003 0.000 1.058 469 I HN 0.198 nan 8.210 nan 0.000 0.410 470 Q N 1.602 121.035 119.800 -0.612 0.000 2.096 470 Q HA -0.302 4.037 4.340 -0.000 0.000 0.204 470 Q C 2.114 178.025 176.000 -0.148 0.000 0.982 470 Q CA 2.376 57.992 55.803 -0.311 0.000 0.850 470 Q CB 0.008 28.794 28.738 0.081 0.000 0.901 470 Q HN 0.543 nan 8.270 nan 0.000 0.422 471 K N -0.049 120.300 120.400 -0.086 0.000 2.057 471 K HA -0.093 4.226 4.320 -0.000 0.000 0.206 471 K C 1.790 178.330 176.600 -0.100 0.000 1.050 471 K CA 1.721 57.998 56.287 -0.016 0.000 0.935 471 K CB -0.505 32.020 32.500 0.042 0.000 0.715 471 K HN 0.257 nan 8.250 nan 0.000 0.439 472 I N 1.082 121.561 120.570 -0.150 0.000 2.179 472 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 472 I C 2.419 178.397 176.117 -0.232 0.000 1.088 472 I CA 1.363 62.576 61.300 -0.145 0.000 1.357 472 I CB -0.309 37.617 38.000 -0.124 0.000 1.051 472 I HN 0.148 nan 8.210 nan 0.000 0.409 473 I N 0.828 121.183 120.570 -0.359 0.000 2.202 473 I HA -0.256 3.913 4.170 -0.000 0.000 0.242 473 I C 2.867 178.793 176.117 -0.317 0.000 1.091 473 I CA 1.395 62.433 61.300 -0.437 0.000 1.368 473 I CB -0.673 36.931 38.000 -0.660 0.000 1.058 473 I HN 0.179 nan 8.210 nan 0.000 0.410 474 A N 1.580 124.247 122.820 -0.255 0.000 1.902 474 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 474 A C 2.238 179.406 177.584 -0.693 0.000 1.181 474 A CA 1.879 53.748 52.037 -0.281 0.000 0.623 474 A CB -0.755 18.203 19.000 -0.070 0.000 0.818 474 A HN 0.658 nan 8.150 nan 0.000 0.443 475 E N -0.536 119.231 120.200 -0.722 0.000 2.204 475 E HA -0.150 4.199 4.350 -0.000 0.000 0.194 475 E C 0.976 177.358 176.600 -0.363 0.000 0.989 475 E CA 1.190 57.137 56.400 -0.754 0.000 0.824 475 E CB -0.386 29.161 29.700 -0.255 0.000 0.756 475 E HN 0.584 nan 8.360 nan 0.000 0.477 476 N N 0.776 119.297 118.700 -0.298 0.000 2.280 476 N HA -0.068 4.672 4.740 -0.000 0.000 0.192 476 N C -0.114 175.263 175.510 -0.221 0.000 1.109 476 N CA 0.383 53.290 53.050 -0.238 0.000 0.855 476 N CB 0.378 38.639 38.487 -0.376 0.000 0.974 476 N HN 0.104 nan 8.380 nan 0.000 0.482 477 Q N 0.896 120.571 119.800 -0.209 0.000 2.423 477 Q HA -0.148 4.192 4.340 -0.000 0.000 0.332 477 Q C 0.548 176.506 176.000 -0.070 0.000 1.355 477 Q CA 0.012 55.759 55.803 -0.094 0.000 0.947 477 Q CB -1.760 26.943 28.738 -0.059 0.000 1.189 477 Q HN 0.121 nan 8.270 nan 0.000 0.418 478 V N -0.922 118.900 119.914 -0.152 0.000 2.278 478 V HA -0.254 3.866 4.120 -0.000 0.000 0.251 478 V C 1.474 177.617 176.094 0.082 0.000 1.062 478 V CA 2.353 64.571 62.300 -0.136 0.000 1.038 478 V CB -0.903 30.734 31.823 -0.311 0.000 0.646 478 V HN 0.856 nan 8.190 nan 0.000 0.447 479 T N -2.774 111.862 114.554 0.137 0.000 2.773 479 T HA 0.684 5.034 4.350 -0.000 0.000 0.278 479 T C -0.814 173.992 174.700 0.178 0.000 1.011 479 T CA -0.705 61.500 62.100 0.174 0.000 1.014 479 T CB 2.182 71.204 68.868 0.257 0.000 1.293 479 T HN -0.020 nan 8.240 nan 0.000 0.554 480 I N 2.530 123.235 120.570 0.225 0.000 2.621 480 I HA 0.339 4.508 4.170 -0.000 0.000 0.276 480 I C -2.400 173.907 176.117 0.318 0.000 1.118 480 I CA -2.321 59.148 61.300 0.281 0.000 1.159 480 I CB 1.576 39.783 38.000 0.344 0.000 1.357 480 I HN 0.431 nan 8.210 nan 0.000 0.513 481 P HA 0.067 nan 4.420 nan 0.000 0.268 481 P C 0.485 177.909 177.300 0.207 0.000 1.205 481 P CA 0.118 63.344 63.100 0.211 0.000 0.771 481 P CB 2.141 33.954 31.700 0.188 0.000 0.858 482 V N 3.102 123.103 119.914 0.144 0.000 2.854 482 V HA 0.189 4.308 4.120 -0.000 0.000 0.236 482 V C 1.053 177.196 176.094 0.082 0.000 1.157 482 V CA 1.223 63.610 62.300 0.145 0.000 1.187 482 V CB -0.432 31.485 31.823 0.155 0.000 0.949 482 V HN 0.603 nan 8.190 nan 0.000 0.488 483 M N -1.880 117.721 119.600 0.003 0.000 2.924 483 M HA 0.684 5.164 4.480 -0.000 0.000 0.271 483 M C -1.416 174.816 176.300 -0.113 0.000 1.280 483 M CA -0.435 54.835 55.300 -0.049 0.000 0.813 483 M CB 2.241 34.750 32.600 -0.151 0.000 1.658 483 M HN -0.147 nan 8.290 nan 0.000 0.467 484 S N 0.279 115.903 115.700 -0.126 0.000 2.482 484 S HA 0.757 5.227 4.470 -0.000 0.000 0.303 484 S C 0.089 174.544 174.600 -0.241 0.000 1.091 484 S CA -0.464 57.616 58.200 -0.201 0.000 1.057 484 S CB 1.803 64.914 63.200 -0.149 0.000 1.031 484 S HN 0.922 nan 8.310 nan 0.000 0.485 485 G N 1.367 109.978 108.800 -0.313 0.000 2.583 485 G HA2 0.537 4.497 3.960 -0.000 0.000 0.275 485 G HA3 0.537 4.497 3.960 -0.000 0.000 0.275 485 G C -0.346 174.382 174.900 -0.287 0.000 1.342 485 G CA -0.170 44.751 45.100 -0.299 0.000 1.030 485 G HN 0.932 nan 8.290 nan 0.000 0.520 486 A N -1.555 121.112 122.820 -0.256 0.000 2.374 486 A HA 0.628 4.948 4.320 -0.000 0.000 0.317 486 A C -1.430 176.004 177.584 -0.251 0.000 1.094 486 A CA -0.700 51.222 52.037 -0.191 0.000 0.765 486 A CB 0.986 19.925 19.000 -0.102 0.000 1.268 486 A HN 0.609 nan 8.150 nan 0.000 0.438 487 W N 1.653 122.902 121.300 -0.085 0.000 2.331 487 W HA 0.537 5.197 4.660 -0.000 0.000 0.306 487 W C 0.277 176.717 176.519 -0.131 0.000 1.162 487 W CA -0.239 57.076 57.345 -0.050 0.000 1.232 487 W CB 1.420 30.831 29.460 -0.082 0.000 1.235 487 W HN 0.574 nan 8.180 nan 0.000 0.479 488 M N 5.061 124.702 119.600 0.068 0.000 2.200 488 M HA 0.218 4.698 4.480 -0.000 0.000 0.355 488 M C -1.157 175.184 176.300 0.069 0.000 1.283 488 M CA -0.052 55.183 55.300 -0.109 0.000 1.124 488 M CB 0.080 32.657 32.600 -0.039 0.000 1.625 488 M HN 0.387 nan 8.290 nan 0.000 0.463 489 Y N 3.150 123.594 120.300 0.239 0.000 2.314 489 Y HA 0.443 4.993 4.550 -0.000 0.000 0.317 489 Y C -2.032 174.131 175.900 0.439 0.000 1.234 489 Y CA -0.893 57.379 58.100 0.287 0.000 1.111 489 Y CB 1.025 39.686 38.460 0.334 0.000 1.283 489 Y HN 0.677 nan 8.280 nan 0.000 0.418 490 Q N 5.542 125.243 119.800 -0.166 0.000 2.375 490 Q HA 0.524 4.863 4.340 -0.000 0.000 0.271 490 Q C -1.692 174.072 176.000 -0.394 0.000 1.074 490 Q CA -0.848 54.773 55.803 -0.304 0.000 0.808 490 Q CB 2.648 31.175 28.738 -0.350 0.000 1.327 490 Q HN 0.594 nan 8.270 nan 0.000 0.441 491 Y N -1.171 118.768 120.300 -0.602 0.000 2.545 491 Y HA 0.764 5.314 4.550 -0.000 0.000 0.348 491 Y C -1.094 174.466 175.900 -0.566 0.000 1.002 491 Y CA -1.256 56.304 58.100 -0.900 0.000 1.039 491 Y CB 1.639 39.167 38.460 -1.552 0.000 1.271 491 Y HN 0.493 nan 8.280 nan 0.000 0.467 492 N N 1.000 119.413 118.700 -0.477 0.000 2.392 492 N HA 0.206 4.946 4.740 -0.000 0.000 0.283 492 N C 0.124 175.715 175.510 0.135 0.000 1.003 492 N CA -0.062 52.915 53.050 -0.122 0.000 0.892 492 N CB 1.965 40.462 38.487 0.017 0.000 1.193 492 N HN 0.947 nan 8.380 nan 0.000 0.487 493 T N -0.740 113.959 114.554 0.242 0.000 3.144 493 T HA 0.045 4.394 4.350 -0.000 0.000 0.249 493 T C 1.261 176.142 174.700 0.303 0.000 1.089 493 T CA 0.258 62.614 62.100 0.426 0.000 0.989 493 T CB -0.198 68.909 68.868 0.398 0.000 0.992 493 T HN 0.346 nan 8.240 nan 0.000 0.540 494 T N 2.324 117.017 114.554 0.232 0.000 2.746 494 T HA -0.023 4.327 4.350 -0.000 0.000 0.267 494 T C 1.900 176.667 174.700 0.111 0.000 1.039 494 T CA 1.197 63.386 62.100 0.148 0.000 1.142 494 T CB -0.079 68.865 68.868 0.127 0.000 0.866 494 T HN 0.482 nan 8.240 nan 0.000 0.444 495 R N -1.297 119.303 120.500 0.167 0.000 2.344 495 R HA 0.329 4.668 4.340 -0.000 0.000 0.209 495 R C -0.588 175.426 176.300 -0.477 0.000 0.886 495 R CA 0.054 56.090 56.100 -0.105 0.000 1.040 495 R CB 0.722 30.989 30.300 -0.056 0.000 1.114 495 R HN 0.248 nan 8.270 nan 0.000 0.547 496 F N -0.424 119.671 119.950 0.241 0.000 2.626 496 F HA 0.393 4.919 4.527 -0.000 0.000 0.311 496 F C 0.261 176.160 175.800 0.164 0.000 1.088 496 F CA -0.995 57.065 58.000 0.101 0.000 0.949 496 F CB 2.029 40.960 39.000 -0.115 0.000 1.322 496 F HN -0.216 nan 8.300 nan 0.000 0.461 497 T N -2.566 112.052 114.554 0.107 0.000 2.907 497 T HA 0.688 5.037 4.350 -0.000 0.000 0.290 497 T C 0.367 174.979 174.700 -0.146 0.000 1.066 497 T CA -0.364 61.791 62.100 0.091 0.000 1.012 497 T CB 1.591 70.514 68.868 0.092 0.000 1.184 497 T HN 1.534 nan 8.240 nan 0.000 0.522 498 G N -0.714 108.057 108.800 -0.048 0.000 2.179 498 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.220 498 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.220 498 G C -0.075 174.795 174.900 -0.050 0.000 0.990 498 G CA -0.422 44.635 45.100 -0.072 0.000 0.646 498 G HN 0.836 nan 8.290 nan 0.000 0.517 499 W N 0.369 121.633 121.300 -0.060 0.000 2.274 499 W HA 0.481 5.140 4.660 -0.000 0.000 0.345 499 W C 0.766 177.299 176.519 0.024 0.000 1.265 499 W CA -0.534 56.716 57.345 -0.159 0.000 1.293 499 W CB 0.348 29.452 29.460 -0.594 0.000 1.175 499 W HN 0.127 nan 8.180 nan 0.000 0.577 500 W N 1.834 123.247 121.300 0.188 0.000 2.215 500 W HA 0.459 5.119 4.660 -0.000 0.000 0.342 500 W C 0.344 176.804 176.519 -0.098 0.000 1.237 500 W CA -1.081 56.201 57.345 -0.105 0.000 1.283 500 W CB 0.479 29.742 29.460 -0.329 0.000 1.131 500 W HN 0.329 nan 8.180 nan 0.000 0.606 501 S N -1.145 114.383 115.700 -0.287 0.000 2.669 501 S HA 0.120 4.590 4.470 -0.000 0.000 0.266 501 S C 0.440 174.050 174.600 -1.649 0.000 1.149 501 S CA -0.645 57.130 58.200 -0.707 0.000 0.842 501 S CB 1.597 64.680 63.200 -0.194 0.000 1.160 501 S HN 0.522 nan 8.310 nan 0.000 0.487 502 E N 0.454 119.722 120.200 -1.552 0.000 2.118 502 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 502 E C 1.123 177.421 176.600 -0.504 0.000 0.992 502 E CA 1.814 57.625 56.400 -0.982 0.000 0.804 502 E CB -0.158 29.307 29.700 -0.391 0.000 0.741 502 E HN 0.678 nan 8.360 nan 0.000 0.458 503 E N -0.042 119.923 120.200 -0.391 0.000 2.371 503 E HA -0.042 4.308 4.350 -0.000 0.000 0.194 503 E C 0.315 176.781 176.600 -0.224 0.000 1.012 503 E CA 0.448 56.711 56.400 -0.229 0.000 0.860 503 E CB 0.209 29.816 29.700 -0.154 0.000 0.811 503 E HN 0.007 nan 8.360 nan 0.000 0.502 504 N N 0.176 118.687 118.700 -0.314 0.000 2.711 504 N HA 0.101 4.841 4.740 -0.000 0.000 0.263 504 N C -2.712 172.564 175.510 -0.391 0.000 1.667 504 N CA -1.761 51.136 53.050 -0.255 0.000 0.785 504 N CB 0.786 39.193 38.487 -0.132 0.000 1.231 504 N HN -0.197 nan 8.380 nan 0.000 0.503 505 P HA 0.132 nan 4.420 nan 0.000 0.226 505 P C -0.031 177.085 177.300 -0.307 0.000 1.783 505 P CA -0.023 62.875 63.100 -0.336 0.000 0.980 505 P CB 0.088 31.706 31.700 -0.137 0.000 1.967 506 K N 0.294 120.273 120.400 -0.702 0.000 2.288 506 K HA 0.172 4.492 4.320 -0.000 0.000 0.201 506 K C 1.261 177.246 176.600 -1.026 0.000 1.048 506 K CA 0.678 56.363 56.287 -1.004 0.000 0.956 506 K CB 0.132 31.668 32.500 -1.607 0.000 0.746 506 K HN 0.449 nan 8.250 nan 0.000 0.461 507 G N 0.276 108.576 108.800 -0.834 0.000 2.317 507 G HA2 0.097 4.057 3.960 -0.000 0.000 0.293 507 G HA3 0.097 4.057 3.960 -0.000 0.000 0.293 507 G C -1.656 173.273 174.900 0.049 0.000 1.287 507 G CA -1.134 43.757 45.100 -0.348 0.000 0.850 507 G HN -0.011 nan 8.290 nan 0.000 0.515 508 R N 1.467 121.983 120.500 0.026 0.000 2.446 508 R HA 0.161 4.501 4.340 -0.000 0.000 0.325 508 R C -1.403 174.908 176.300 0.017 0.000 0.997 508 R CA -0.637 55.341 56.100 -0.203 0.000 1.010 508 R CB 1.097 31.122 30.300 -0.458 0.000 0.946 508 R HN 0.301 nan 8.270 nan 0.000 0.422 509 P HA -0.041 nan 4.420 nan 0.000 0.236 509 P C -0.334 176.933 177.300 -0.055 0.000 1.177 509 P CA 0.396 63.336 63.100 -0.267 0.000 0.773 509 P CB 0.419 31.600 31.700 -0.865 0.000 0.878 510 S N 0.243 115.881 115.700 -0.104 0.000 2.563 510 S HA 0.016 4.486 4.470 -0.000 0.000 0.284 510 S C 1.246 175.791 174.600 -0.092 0.000 1.331 510 S CA -0.350 57.770 58.200 -0.133 0.000 1.047 510 S CB 1.281 64.236 63.200 -0.409 0.000 0.859 510 S HN -0.071 nan 8.310 nan 0.000 0.514 511 V N 3.355 122.995 119.914 -0.457 0.000 3.649 511 V HA 0.120 4.239 4.120 -0.000 0.000 0.275 511 V C -0.128 175.753 176.094 -0.354 0.000 1.281 511 V CA -0.183 61.592 62.300 -0.875 0.000 1.143 511 V CB -0.343 30.497 31.823 -1.639 0.000 0.892 511 V HN 0.714 nan 8.190 nan 0.000 0.441 512 W N 0.920 122.123 121.300 -0.161 0.000 2.148 512 W HA 0.424 5.084 4.660 -0.000 0.000 0.347 512 W C 0.665 177.142 176.519 -0.071 0.000 1.288 512 W CA -0.302 56.988 57.345 -0.091 0.000 1.252 512 W CB 0.027 29.477 29.460 -0.017 0.000 1.156 512 W HN 0.258 nan 8.180 nan 0.000 0.580 513 A N 1.498 124.442 122.820 0.205 0.000 2.440 513 A HA 0.545 4.865 4.320 -0.000 0.000 0.251 513 A C 1.036 178.692 177.584 0.121 0.000 1.089 513 A CA 0.756 52.861 52.037 0.113 0.000 0.779 513 A CB -0.005 19.063 19.000 0.114 0.000 1.022 513 A HN 1.471 nan 8.150 nan 0.000 0.492 514 G N 0.730 109.585 108.800 0.092 0.000 2.211 514 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.201 514 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.201 514 G C -0.150 174.826 174.900 0.127 0.000 0.997 514 G CA 0.134 45.299 45.100 0.108 0.000 0.652 514 G HN 0.773 nan 8.290 nan 0.000 0.500 515 I N 2.868 123.502 120.570 0.107 0.000 2.555 515 I HA 0.357 4.527 4.170 -0.000 0.000 0.275 515 I C -0.838 175.306 176.117 0.045 0.000 1.082 515 I CA -2.401 58.944 61.300 0.075 0.000 1.167 515 I CB 1.822 39.853 38.000 0.051 0.000 1.312 515 I HN -0.143 nan 8.210 nan 0.000 0.493 516 P HA -0.184 nan 4.420 nan 0.000 0.219 516 P C 0.934 178.286 177.300 0.086 0.000 1.146 516 P CA 1.338 64.469 63.100 0.053 0.000 0.808 516 P CB 0.413 32.163 31.700 0.083 0.000 0.779 517 E N 0.243 120.526 120.200 0.138 0.000 2.333 517 E HA -0.176 4.174 4.350 -0.000 0.000 0.198 517 E C 2.168 178.894 176.600 0.211 0.000 1.007 517 E CA 0.787 57.325 56.400 0.230 0.000 0.845 517 E CB -0.725 29.162 29.700 0.311 0.000 0.766 517 E HN 0.443 nan 8.360 nan 0.000 0.507 518 R N 0.618 121.202 120.500 0.140 0.000 2.200 518 R HA -0.144 4.196 4.340 -0.000 0.000 0.234 518 R C 2.018 178.461 176.300 0.238 0.000 1.127 518 R CA 1.158 57.396 56.100 0.230 0.000 0.989 518 R CB -0.490 29.836 30.300 0.043 0.000 0.869 518 R HN 0.217 nan 8.270 nan 0.000 0.459 519 L N 1.221 122.501 121.223 0.095 0.000 2.072 519 L HA -0.007 4.333 4.340 -0.000 0.000 0.205 519 L C 2.077 179.067 176.870 0.199 0.000 1.079 519 L CA 1.471 56.397 54.840 0.143 0.000 0.752 519 L CB -0.238 41.873 42.059 0.087 0.000 0.906 519 L HN 0.207 nan 8.230 nan 0.000 0.436 520 L N -1.198 120.151 121.223 0.211 0.000 2.141 520 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 520 L C 2.576 179.568 176.870 0.204 0.000 1.094 520 L CA 1.494 56.491 54.840 0.260 0.000 0.763 520 L CB -0.923 41.366 42.059 0.383 0.000 0.908 520 L HN 0.477 nan 8.230 nan 0.000 0.437 521 H N -0.518 118.408 119.070 -0.239 0.000 2.299 521 H HA -0.184 4.372 4.556 -0.000 0.000 0.302 521 H C 2.421 177.411 175.328 -0.564 0.000 1.078 521 H CA 1.440 56.926 56.048 -0.935 0.000 1.323 521 H CB 0.283 29.283 29.762 -1.271 0.000 1.381 521 H HN 0.069 nan 8.280 nan 0.000 0.498 522 V N 1.199 121.025 119.914 -0.146 0.000 2.568 522 V HA -0.226 3.893 4.120 -0.000 0.000 0.253 522 V C 2.181 178.214 176.094 -0.101 0.000 1.072 522 V CA 1.598 63.820 62.300 -0.130 0.000 1.084 522 V CB -0.454 31.587 31.823 0.363 0.000 0.676 522 V HN 0.404 nan 8.190 nan 0.000 0.469 523 L N -0.497 120.723 121.223 -0.005 0.000 2.376 523 L HA -0.032 4.307 4.340 -0.000 0.000 0.219 523 L C 1.759 178.616 176.870 -0.022 0.000 1.133 523 L CA 1.032 55.875 54.840 0.004 0.000 0.816 523 L CB -0.432 41.661 42.059 0.058 0.000 0.933 523 L HN 0.319 nan 8.230 nan 0.000 0.449 524 D N -0.528 119.843 120.400 -0.047 0.000 2.350 524 D HA 0.096 4.736 4.640 -0.000 0.000 0.213 524 D C 0.392 176.600 176.300 -0.153 0.000 1.031 524 D CA 0.229 54.217 54.000 -0.021 0.000 0.861 524 D CB 0.318 41.206 40.800 0.146 0.000 0.926 524 D HN 0.023 nan 8.370 nan 0.000 0.520 525 L N 1.246 122.293 121.223 -0.293 0.000 2.367 525 L HA 0.204 4.544 4.340 -0.000 0.000 0.275 525 L C 0.482 177.279 176.870 -0.122 0.000 1.129 525 L CA 0.293 54.895 54.840 -0.397 0.000 0.839 525 L CB 0.555 42.207 42.059 -0.678 0.000 1.133 525 L HN -0.302 nan 8.230 nan 0.000 0.453 526 K N 5.456 125.834 120.400 -0.037 0.000 2.426 526 K HA 0.470 4.790 4.320 -0.000 0.000 0.254 526 K C -2.448 174.192 176.600 0.067 0.000 0.936 526 K CA -1.719 54.591 56.287 0.039 0.000 0.801 526 K CB 2.146 34.640 32.500 -0.010 0.000 1.139 526 K HN 0.322 nan 8.250 nan 0.000 0.424 527 P HA 0.015 nan 4.420 nan 0.000 0.270 527 P C -0.070 177.078 177.300 -0.253 0.000 1.223 527 P CA -0.349 62.531 63.100 -0.366 0.000 0.785 527 P CB 0.742 32.274 31.700 -0.280 0.000 0.923 528 V N 0.000 119.715 119.914 -0.331 0.000 2.409 528 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 528 V CA 0.000 62.202 62.300 -0.163 0.000 1.235 528 V CB 0.000 31.748 31.823 -0.126 0.000 1.184 528 V HN 0.000 nan 8.190 nan 0.000 0.556