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 2qub_1_K DATA FIRST_RESID -1 DATA SEQUENCE SHMGIFSYKD LDENASKALF SDALAISTYA YHNIDNGFDE GYHQTGFGLG DATA SEQUENCE LPLTLITALI GSTQSQGGLP GLPWNPDSEQ AAQEAVNNAG WSVISATQLG DATA SEQUENCE YAGKTDARGT YYGETAGYTT AQAEVLGKYD SEGNLTAIGI SFRGTSGPRE DATA SEQUENCE SLIGDTIGDV INDLLAGFGP KGYADGYTLK AFGNLLGDVA KFAQAHGLSG DATA SEQUENCE EDVVVSGHSL GGLAVNSMAA QSDANWGGFY AQSNYVAFAS PTQYEAGGKV DATA SEQUENCE INIGYENDPV FRALDGTSLT LPSLGVHDAP HTSATNNIVN FNDHYASDAW DATA SEQUENCE NLLPFSILNI PTWLSHLPFF YQDGLMRVLN SEFYSLTDKD STIIVSNLSN DATA SEQUENCE VTRGNTWVED LNRNAETHSG PTFIIGSDGN DLIKGGKGND YLEGRDGDDI DATA SEQUENCE FRDAGGYNLI AGGKGHNIFD TQQALKNTEV AYDGNTLYLR DAKGGITLAD DATA SEQUENCE DISTLRSKET SWLIFNKEVD HQVTAAGLKS DSGLKAYAAA TGGDGDDVLQ DATA SEQUENCE ARSHDAWLFG NAGNDTLIGH AGGNLTFVGG SGDDILKGVG NGNTFLFSGD DATA SEQUENCE FGRDQLYGFN ASDKLVFIGT EGASGNIRDY ATQQNDDLVL AFGHSQVTLI DATA SEQUENCE GVSLDHISTD QVVLA 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 S HA 0.000 nan 4.470 nan 0.000 0.327 -1 S C 0.000 174.463 174.600 -0.229 0.000 1.055 -1 S CA 0.000 58.050 58.200 -0.250 0.000 1.107 -1 S CB 0.000 63.120 63.200 -0.134 0.000 0.593 0 H N 2.164 121.226 119.070 -0.013 0.000 2.610 0 H HA 0.435 4.991 4.556 -0.000 0.000 0.336 0 H C 0.317 175.615 175.328 -0.049 0.000 1.087 0 H CA -0.529 55.492 56.048 -0.044 0.000 1.405 0 H CB 0.983 30.711 29.762 -0.056 0.000 1.460 0 H HN 0.565 nan 8.280 nan 0.000 0.538 1 M N 1.095 120.726 119.600 0.053 0.000 2.313 1 M HA 0.189 4.669 4.480 -0.000 0.000 0.273 1 M C 0.694 176.976 176.300 -0.031 0.000 1.049 1 M CA 0.136 55.452 55.300 0.027 0.000 1.004 1 M CB 0.371 32.991 32.600 0.034 0.000 1.461 1 M HN 0.883 nan 8.290 nan 0.000 0.514 2 G N 1.447 110.115 108.800 -0.219 0.000 2.697 2 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.686 2 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.686 2 G C 0.261 174.854 174.900 -0.511 0.000 1.179 2 G CA -0.300 44.417 45.100 -0.639 0.000 0.765 2 G HN 0.364 nan 8.290 nan 0.000 0.649 3 I N 0.237 120.304 120.570 -0.838 0.000 2.361 3 I HA 0.014 4.184 4.170 -0.000 0.000 0.251 3 I C 1.613 177.537 176.117 -0.322 0.000 1.133 3 I CA 1.390 62.317 61.300 -0.623 0.000 1.413 3 I CB -0.116 37.362 38.000 -0.870 0.000 1.073 3 I HN 0.410 nan 8.210 nan 0.000 0.424 4 F N 0.605 120.548 119.950 -0.012 0.000 2.660 4 F HA 0.305 4.832 4.527 -0.000 0.000 0.297 4 F C 1.262 177.148 175.800 0.143 0.000 1.132 4 F CA -0.573 57.449 58.000 0.037 0.000 1.372 4 F CB -1.253 37.647 39.000 -0.166 0.000 1.003 4 F HN -0.124 nan 8.300 nan 0.000 0.524 5 S N 0.640 116.482 115.700 0.237 0.000 2.558 5 S HA 0.078 4.547 4.470 -0.000 0.000 0.288 5 S C -0.916 173.854 174.600 0.283 0.000 1.318 5 S CA 0.099 58.431 58.200 0.220 0.000 1.056 5 S CB 0.200 63.467 63.200 0.111 0.000 0.853 5 S HN 0.321 nan 8.310 nan 0.000 0.505 6 Y N 4.878 125.251 120.300 0.122 0.000 2.373 6 Y HA 0.419 4.969 4.550 -0.000 0.000 0.336 6 Y C 0.402 176.351 175.900 0.081 0.000 0.979 6 Y CA -0.559 57.606 58.100 0.108 0.000 1.080 6 Y CB 0.714 39.247 38.460 0.122 0.000 1.190 6 Y HN 1.028 nan 8.280 nan 0.000 0.446 7 K N 1.352 121.483 120.400 -0.449 0.000 1.824 7 K HA -0.286 4.034 4.320 -0.000 0.000 0.120 7 K C -0.040 176.486 176.600 -0.123 0.000 1.268 7 K CA 2.092 58.165 56.287 -0.357 0.000 0.420 7 K CB -0.851 31.352 32.500 -0.495 0.000 0.586 7 K HN 0.888 nan 8.250 nan 0.000 0.907 8 D N 1.488 121.843 120.400 -0.075 0.000 2.501 8 D HA 0.159 4.799 4.640 -0.000 0.000 0.226 8 D C 0.302 176.615 176.300 0.023 0.000 1.198 8 D CA -0.042 53.946 54.000 -0.019 0.000 0.830 8 D CB -0.258 40.528 40.800 -0.022 0.000 1.014 8 D HN 0.248 nan 8.370 nan 0.000 0.496 9 L N 1.576 122.834 121.223 0.059 0.000 2.483 9 L HA 0.092 4.432 4.340 -0.000 0.000 0.276 9 L C 0.749 177.671 176.870 0.087 0.000 1.213 9 L CA -0.305 54.593 54.840 0.097 0.000 0.843 9 L CB 0.284 42.444 42.059 0.169 0.000 1.107 9 L HN 0.064 nan 8.230 nan 0.000 0.487 10 D N -0.017 120.429 120.400 0.078 0.000 2.377 10 D HA -0.008 4.632 4.640 -0.000 0.000 0.245 10 D C 0.776 177.137 176.300 0.101 0.000 1.196 10 D CA -0.556 53.489 54.000 0.076 0.000 0.962 10 D CB 0.640 41.476 40.800 0.061 0.000 1.127 10 D HN 0.612 nan 8.370 nan 0.000 0.471 11 E N -0.283 119.980 120.200 0.105 0.000 2.058 11 E HA -0.300 4.050 4.350 -0.000 0.000 0.194 11 E C 1.359 178.039 176.600 0.133 0.000 0.997 11 E CA 1.220 57.705 56.400 0.141 0.000 0.801 11 E CB -0.033 29.756 29.700 0.148 0.000 0.746 11 E HN 0.392 nan 8.360 nan 0.000 0.450 12 N N 0.282 119.040 118.700 0.097 0.000 2.166 12 N HA -0.152 4.588 4.740 -0.000 0.000 0.186 12 N C 1.572 177.129 175.510 0.078 0.000 1.019 12 N CA 1.309 54.403 53.050 0.072 0.000 0.856 12 N CB -0.457 38.062 38.487 0.052 0.000 0.993 12 N HN 0.292 nan 8.380 nan 0.000 0.426 13 A N 0.264 123.137 122.820 0.087 0.000 1.902 13 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 13 A C 2.511 180.172 177.584 0.127 0.000 1.181 13 A CA 1.670 53.764 52.037 0.094 0.000 0.623 13 A CB -0.755 18.300 19.000 0.091 0.000 0.818 13 A HN 0.248 nan 8.150 nan 0.000 0.443 14 S N -0.289 115.508 115.700 0.161 0.000 2.368 14 S HA -0.156 4.314 4.470 -0.000 0.000 0.225 14 S C 1.966 176.695 174.600 0.214 0.000 1.030 14 S CA 1.676 60.004 58.200 0.214 0.000 0.999 14 S CB -0.232 63.120 63.200 0.254 0.000 0.844 14 S HN 0.625 nan 8.310 nan 0.000 0.459 15 K N 1.270 121.767 120.400 0.161 0.000 2.057 15 K HA -0.005 4.315 4.320 -0.000 0.000 0.207 15 K C 2.417 179.104 176.600 0.145 0.000 1.049 15 K CA 1.189 57.540 56.287 0.108 0.000 0.931 15 K CB -0.317 32.158 32.500 -0.041 0.000 0.714 15 K HN 0.326 nan 8.250 nan 0.000 0.440 16 A N 1.636 124.521 122.820 0.109 0.000 1.902 16 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 16 A C 2.134 179.788 177.584 0.117 0.000 1.181 16 A CA 1.205 53.300 52.037 0.098 0.000 0.623 16 A CB -0.587 18.454 19.000 0.068 0.000 0.818 16 A HN 0.245 nan 8.150 nan 0.000 0.443 17 L N -1.246 120.046 121.223 0.115 0.000 1.989 17 L HA -0.152 4.188 4.340 -0.000 0.000 0.211 17 L C 2.220 179.129 176.870 0.065 0.000 1.071 17 L CA 2.566 57.449 54.840 0.072 0.000 0.749 17 L CB -0.921 41.155 42.059 0.029 0.000 0.890 17 L HN 0.441 nan 8.230 nan 0.000 0.431 18 F N -0.464 119.479 119.950 -0.012 0.000 2.095 18 F HA -0.260 4.267 4.527 -0.000 0.000 0.298 18 F C 2.786 178.581 175.800 -0.008 0.000 1.104 18 F CA 1.962 59.939 58.000 -0.038 0.000 1.232 18 F CB -0.710 38.260 39.000 -0.050 0.000 0.987 18 F HN 0.222 nan 8.300 nan 0.000 0.475 19 S N -0.004 115.770 115.700 0.123 0.000 2.359 19 S HA -0.230 4.240 4.470 -0.000 0.000 0.224 19 S C 1.845 176.417 174.600 -0.047 0.000 1.035 19 S CA 1.859 60.075 58.200 0.028 0.000 1.018 19 S CB -0.635 62.632 63.200 0.112 0.000 0.876 19 S HN 0.507 nan 8.310 nan 0.000 0.448 20 D N 1.196 121.619 120.400 0.039 0.000 2.097 20 D HA -0.025 4.614 4.640 -0.000 0.000 0.195 20 D C 2.271 178.465 176.300 -0.176 0.000 0.989 20 D CA 1.334 55.395 54.000 0.103 0.000 0.827 20 D CB -0.716 40.266 40.800 0.303 0.000 0.966 20 D HN 0.473 nan 8.370 nan 0.000 0.456 21 A N 0.968 123.668 122.820 -0.201 0.000 1.883 21 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 21 A C 2.180 179.653 177.584 -0.186 0.000 1.186 21 A CA 1.240 53.148 52.037 -0.214 0.000 0.624 21 A CB -0.817 18.077 19.000 -0.177 0.000 0.822 21 A HN 0.249 nan 8.150 nan 0.000 0.444 22 L N -0.404 120.607 121.223 -0.352 0.000 2.093 22 L HA -0.013 4.327 4.340 -0.000 0.000 0.208 22 L C 2.648 179.295 176.870 -0.372 0.000 1.085 22 L CA 2.026 56.521 54.840 -0.575 0.000 0.755 22 L CB -0.867 40.695 42.059 -0.829 0.000 0.904 22 L HN 0.361 nan 8.230 nan 0.000 0.435 23 A N 0.259 122.924 122.820 -0.259 0.000 1.877 23 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 23 A C 2.241 179.706 177.584 -0.198 0.000 1.186 23 A CA 2.014 53.948 52.037 -0.172 0.000 0.620 23 A CB -0.978 17.979 19.000 -0.071 0.000 0.822 23 A HN 0.654 nan 8.150 nan 0.000 0.443 24 I N -3.225 117.156 120.570 -0.316 0.000 2.439 24 I HA -0.073 4.097 4.170 -0.000 0.000 0.251 24 I C 2.291 178.286 176.117 -0.204 0.000 1.139 24 I CA 1.777 62.880 61.300 -0.328 0.000 1.438 24 I CB -0.452 37.190 38.000 -0.595 0.000 1.085 24 I HN 0.232 nan 8.210 nan 0.000 0.427 25 S N 1.255 116.836 115.700 -0.198 0.000 2.356 25 S HA -0.177 4.293 4.470 -0.000 0.000 0.223 25 S C 2.014 176.543 174.600 -0.119 0.000 1.032 25 S CA 2.400 60.521 58.200 -0.132 0.000 1.005 25 S CB -0.689 62.469 63.200 -0.070 0.000 0.867 25 S HN 0.640 nan 8.310 nan 0.000 0.449 26 T N 0.570 115.038 114.554 -0.143 0.000 2.746 26 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 26 T C 1.486 176.169 174.700 -0.028 0.000 1.039 26 T CA 1.554 63.611 62.100 -0.072 0.000 1.142 26 T CB -0.646 68.154 68.868 -0.114 0.000 0.866 26 T HN 0.609 nan 8.240 nan 0.000 0.444 27 Y N 2.366 122.547 120.300 -0.198 0.000 2.193 27 Y HA -0.115 4.435 4.550 -0.000 0.000 0.285 27 Y C 2.447 178.094 175.900 -0.422 0.000 1.166 27 Y CA 0.695 58.628 58.100 -0.278 0.000 1.181 27 Y CB -0.785 37.512 38.460 -0.272 0.000 0.976 27 Y HN 0.194 nan 8.280 nan 0.000 0.520 28 A N -0.914 121.657 122.820 -0.416 0.000 2.076 28 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 28 A C 1.700 179.025 177.584 -0.432 0.000 1.160 28 A CA 1.704 53.445 52.037 -0.493 0.000 0.653 28 A CB -1.277 17.507 19.000 -0.359 0.000 0.801 28 A HN 0.648 nan 8.150 nan 0.000 0.455 29 Y N -1.305 118.841 120.300 -0.258 0.000 2.546 29 Y HA 0.030 4.580 4.550 -0.000 0.000 0.287 29 Y C 0.711 176.577 175.900 -0.057 0.000 1.158 29 Y CA 0.495 58.527 58.100 -0.113 0.000 1.307 29 Y CB -0.194 38.197 38.460 -0.116 0.000 1.036 29 Y HN 0.552 nan 8.280 nan 0.000 0.532 30 H N 0.217 119.205 119.070 -0.135 0.000 2.655 30 H HA -0.244 4.312 4.556 -0.000 0.000 0.313 30 H C 0.215 175.529 175.328 -0.025 0.000 1.141 30 H CA 0.767 56.729 56.048 -0.142 0.000 1.138 30 H CB -1.551 28.108 29.762 -0.172 0.000 1.446 30 H HN 0.429 nan 8.280 nan 0.000 0.415 31 N N -0.996 117.742 118.700 0.063 0.000 2.741 31 N HA -0.203 4.537 4.740 -0.000 0.000 0.250 31 N C 1.198 176.743 175.510 0.059 0.000 1.115 31 N CA 0.904 53.984 53.050 0.050 0.000 0.724 31 N CB -1.132 37.381 38.487 0.043 0.000 1.090 31 N HN 0.541 nan 8.380 nan 0.000 0.558 32 I N 1.382 122.004 120.570 0.086 0.000 2.335 32 I HA -0.202 3.968 4.170 -0.000 0.000 0.251 32 I C 1.509 177.669 176.117 0.071 0.000 1.129 32 I CA 1.888 63.239 61.300 0.086 0.000 1.402 32 I CB 0.044 38.121 38.000 0.129 0.000 1.069 32 I HN 0.224 nan 8.210 nan 0.000 0.424 33 D N -1.346 119.079 120.400 0.042 0.000 2.358 33 D HA -0.078 4.562 4.640 -0.000 0.000 0.224 33 D C 1.401 177.738 176.300 0.062 0.000 1.123 33 D CA -0.016 54.040 54.000 0.094 0.000 0.833 33 D CB -1.434 39.410 40.800 0.075 0.000 0.946 33 D HN 0.474 nan 8.370 nan 0.000 0.505 34 N N 0.972 119.686 118.700 0.022 0.000 2.069 34 N HA -0.162 4.577 4.740 -0.000 0.000 0.191 34 N C 1.888 177.382 175.510 -0.027 0.000 1.031 34 N CA 1.611 54.646 53.050 -0.025 0.000 0.852 34 N CB -0.180 38.305 38.487 -0.003 0.000 1.018 34 N HN 0.288 nan 8.380 nan 0.000 0.423 35 G N 0.014 108.830 108.800 0.026 0.000 2.418 35 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 35 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 35 G C 1.365 176.289 174.900 0.040 0.000 1.158 35 G CA 0.187 45.304 45.100 0.027 0.000 0.771 35 G HN 0.384 nan 8.290 nan 0.000 0.545 36 F N 1.129 121.058 119.950 -0.035 0.000 2.126 36 F HA -0.108 4.419 4.527 -0.000 0.000 0.299 36 F C 2.489 178.171 175.800 -0.196 0.000 1.096 36 F CA 1.415 59.413 58.000 -0.002 0.000 1.255 36 F CB 0.147 39.212 39.000 0.109 0.000 0.997 36 F HN 0.142 nan 8.300 nan 0.000 0.479 37 D N 0.503 120.710 120.400 -0.322 0.000 2.092 37 D HA -0.274 4.366 4.640 -0.000 0.000 0.193 37 D C 2.076 178.287 176.300 -0.149 0.000 0.994 37 D CA 1.795 55.267 54.000 -0.881 0.000 0.828 37 D CB -0.379 39.873 40.800 -0.912 0.000 0.963 37 D HN 0.516 nan 8.370 nan 0.000 0.450 38 E N -0.556 119.605 120.200 -0.066 0.000 2.051 38 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 38 E C 2.138 178.773 176.600 0.060 0.000 0.991 38 E CA 1.416 57.828 56.400 0.021 0.000 0.799 38 E CB -0.522 29.180 29.700 0.003 0.000 0.748 38 E HN 0.338 nan 8.360 nan 0.000 0.449 39 G N 0.136 108.957 108.800 0.036 0.000 2.459 39 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.217 39 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.217 39 G C 1.420 176.375 174.900 0.091 0.000 1.183 39 G CA 1.060 46.175 45.100 0.025 0.000 0.776 39 G HN 0.455 nan 8.290 nan 0.000 0.552 40 Y N 1.339 121.676 120.300 0.061 0.000 2.128 40 Y HA -0.221 4.329 4.550 -0.000 0.000 0.284 40 Y C 2.777 178.699 175.900 0.038 0.000 1.154 40 Y CA 2.371 60.550 58.100 0.132 0.000 1.149 40 Y CB -0.607 37.992 38.460 0.232 0.000 0.976 40 Y HN 0.432 nan 8.280 nan 0.000 0.505 41 H N -0.804 118.259 119.070 -0.010 0.000 2.423 41 H HA -0.121 4.435 4.556 -0.000 0.000 0.297 41 H C 2.334 177.600 175.328 -0.103 0.000 1.075 41 H CA 1.695 57.675 56.048 -0.113 0.000 1.342 41 H CB -0.082 29.691 29.762 0.018 0.000 1.395 41 H HN 0.484 nan 8.280 nan 0.000 0.530 42 Q N 0.358 120.186 119.800 0.047 0.000 2.062 42 Q HA -0.095 4.245 4.340 -0.000 0.000 0.196 42 Q C 1.345 177.344 176.000 -0.002 0.000 0.967 42 Q CA 1.896 57.713 55.803 0.023 0.000 0.832 42 Q CB 0.387 29.141 28.738 0.027 0.000 0.899 42 Q HN 0.549 nan 8.270 nan 0.000 0.442 43 T N -4.002 110.548 114.554 -0.007 0.000 3.004 43 T HA 0.483 4.833 4.350 -0.000 0.000 0.266 43 T C 0.829 175.548 174.700 0.031 0.000 0.986 43 T CA 0.258 62.365 62.100 0.012 0.000 0.902 43 T CB 0.946 69.827 68.868 0.022 0.000 1.118 43 T HN 0.564 nan 8.240 nan 0.000 0.522 44 G N 1.819 110.607 108.800 -0.019 0.000 2.539 44 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.256 44 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.256 44 G C -0.220 174.909 174.900 0.381 0.000 1.233 44 G CA 0.130 45.246 45.100 0.027 0.000 0.936 44 G HN 0.472 nan 8.290 nan 0.000 0.571 45 F N 2.090 122.191 119.950 0.252 0.000 2.859 45 F HA 0.529 5.056 4.527 -0.000 0.000 0.324 45 F C 1.357 177.471 175.800 0.524 0.000 1.158 45 F CA 1.019 59.249 58.000 0.384 0.000 1.147 45 F CB 0.429 39.675 39.000 0.410 0.000 1.137 45 F HN 0.822 nan 8.300 nan 0.000 0.516 46 G N 0.176 109.203 108.800 0.378 0.000 3.345 46 G HA2 0.164 4.124 3.960 -0.000 0.000 0.202 46 G HA3 0.164 4.124 3.960 -0.000 0.000 0.202 46 G C 1.127 176.095 174.900 0.113 0.000 1.740 46 G CA -0.151 45.104 45.100 0.258 0.000 0.806 46 G HN 0.056 nan 8.290 nan 0.000 0.718 47 L N 1.020 122.280 121.223 0.061 0.000 2.129 47 L HA -0.040 4.300 4.340 -0.000 0.000 0.212 47 L C 2.757 179.648 176.870 0.034 0.000 1.087 47 L CA 1.245 56.101 54.840 0.027 0.000 0.757 47 L CB -0.432 41.636 42.059 0.016 0.000 0.896 47 L HN 0.496 nan 8.230 nan 0.000 0.434 48 G N -0.777 108.057 108.800 0.056 0.000 2.920 48 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.208 48 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.208 48 G C 1.433 176.361 174.900 0.046 0.000 1.159 48 G CA -0.176 44.952 45.100 0.047 0.000 0.784 48 G HN 0.169 nan 8.290 nan 0.000 0.535 49 L N 2.024 123.274 121.223 0.046 0.000 2.013 49 L HA -0.039 4.301 4.340 -0.000 0.000 0.212 49 L C 0.235 177.093 176.870 -0.019 0.000 1.073 49 L CA 2.262 57.101 54.840 -0.002 0.000 0.753 49 L CB -0.893 41.123 42.059 -0.071 0.000 0.890 49 L HN 0.079 nan 8.230 nan 0.000 0.432 50 P HA -0.204 nan 4.420 nan 0.000 0.215 50 P C 2.156 179.442 177.300 -0.022 0.000 1.153 50 P CA 1.743 64.834 63.100 -0.016 0.000 0.853 50 P CB -0.129 31.567 31.700 -0.007 0.000 0.788 51 L N -1.062 120.153 121.223 -0.013 0.000 2.093 51 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 51 L C 2.577 179.427 176.870 -0.034 0.000 1.085 51 L CA 1.731 56.562 54.840 -0.015 0.000 0.755 51 L CB -1.749 40.308 42.059 -0.003 0.000 0.904 51 L HN 0.016 nan 8.230 nan 0.000 0.435 52 T N 0.576 115.110 114.554 -0.033 0.000 2.720 52 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 52 T C 1.981 176.546 174.700 -0.224 0.000 1.037 52 T CA 1.317 63.369 62.100 -0.080 0.000 1.144 52 T CB -0.223 68.659 68.868 0.025 0.000 0.864 52 T HN 0.202 nan 8.240 nan 0.000 0.444 53 L N 0.141 121.256 121.223 -0.181 0.000 2.093 53 L HA 0.015 4.355 4.340 -0.000 0.000 0.208 53 L C 2.440 179.236 176.870 -0.123 0.000 1.085 53 L CA 0.982 55.702 54.840 -0.200 0.000 0.755 53 L CB -0.604 41.399 42.059 -0.094 0.000 0.904 53 L HN 0.261 nan 8.230 nan 0.000 0.435 54 I N -0.243 120.284 120.570 -0.071 0.000 2.163 54 I HA -0.297 3.872 4.170 -0.000 0.000 0.243 54 I C 2.498 178.597 176.117 -0.030 0.000 1.085 54 I CA 1.711 62.992 61.300 -0.032 0.000 1.347 54 I CB -0.570 37.422 38.000 -0.014 0.000 1.044 54 I HN 0.258 nan 8.210 nan 0.000 0.408 55 T N 0.745 115.269 114.554 -0.050 0.000 2.788 55 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 55 T C 2.035 176.706 174.700 -0.048 0.000 1.044 55 T CA 1.268 63.348 62.100 -0.032 0.000 1.139 55 T CB -0.294 68.555 68.868 -0.031 0.000 0.867 55 T HN 0.485 nan 8.240 nan 0.000 0.454 56 A N 1.146 123.884 122.820 -0.136 0.000 1.940 56 A HA -0.001 4.319 4.320 -0.000 0.000 0.219 56 A C 2.257 179.846 177.584 0.007 0.000 1.176 56 A CA 1.222 53.197 52.037 -0.102 0.000 0.631 56 A CB -0.717 18.084 19.000 -0.332 0.000 0.814 56 A HN 0.485 nan 8.150 nan 0.000 0.446 57 L N -0.980 120.240 121.223 -0.004 0.000 2.095 57 L HA 0.033 4.373 4.340 -0.000 0.000 0.204 57 L C 2.150 179.041 176.870 0.036 0.000 1.080 57 L CA 1.506 56.361 54.840 0.026 0.000 0.759 57 L CB -0.201 41.871 42.059 0.021 0.000 0.914 57 L HN 0.669 nan 8.230 nan 0.000 0.439 58 I N -4.625 115.971 120.570 0.044 0.000 4.240 58 I HA 0.488 4.658 4.170 -0.000 0.000 0.331 58 I C 1.066 177.238 176.117 0.092 0.000 1.381 58 I CA 0.051 61.396 61.300 0.074 0.000 1.136 58 I CB 0.151 38.224 38.000 0.121 0.000 1.137 58 I HN 0.162 nan 8.210 nan 0.000 0.411 59 G N 2.682 111.521 108.800 0.064 0.000 2.564 59 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.273 59 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.273 59 G C -0.053 174.914 174.900 0.111 0.000 1.242 59 G CA 0.765 45.906 45.100 0.068 0.000 0.951 59 G HN 1.152 nan 8.290 nan 0.000 0.564 60 S N -4.130 111.650 115.700 0.134 0.000 2.873 60 S HA 0.670 5.140 4.470 -0.000 0.000 0.303 60 S C 1.188 175.916 174.600 0.214 0.000 1.222 60 S CA 0.968 59.265 58.200 0.161 0.000 0.923 60 S CB 0.799 64.048 63.200 0.082 0.000 1.286 60 S HN 2.279 nan 8.310 nan 0.000 0.571 61 T N -1.009 113.644 114.554 0.165 0.000 3.085 61 T HA 0.149 4.498 4.350 -0.000 0.000 0.263 61 T C 1.067 175.824 174.700 0.095 0.000 1.127 61 T CA 0.883 63.079 62.100 0.159 0.000 1.103 61 T CB -0.474 68.458 68.868 0.107 0.000 0.921 61 T HN 0.590 nan 8.240 nan 0.000 0.510 62 Q N 0.857 120.699 119.800 0.070 0.000 2.246 62 Q HA 0.279 4.618 4.340 -0.000 0.000 0.222 62 Q C 0.398 176.416 176.000 0.029 0.000 0.851 62 Q CA -0.026 55.801 55.803 0.040 0.000 0.945 62 Q CB 0.857 29.611 28.738 0.026 0.000 1.122 62 Q HN 0.652 nan 8.270 nan 0.000 0.508 63 S N -0.601 115.121 115.700 0.037 0.000 2.579 63 S HA 0.400 4.870 4.470 -0.000 0.000 0.272 63 S C -1.323 173.292 174.600 0.025 0.000 1.141 63 S CA -0.914 57.298 58.200 0.021 0.000 0.843 63 S CB 2.307 65.512 63.200 0.009 0.000 1.122 63 S HN 0.095 nan 8.310 nan 0.000 0.468 64 Q N 0.722 120.529 119.800 0.012 0.000 2.333 64 Q HA 0.586 4.926 4.340 -0.000 0.000 0.265 64 Q C 0.346 176.356 176.000 0.017 0.000 0.989 64 Q CA -0.633 55.171 55.803 0.003 0.000 0.842 64 Q CB 1.294 30.025 28.738 -0.011 0.000 1.262 64 Q HN 0.985 nan 8.270 nan 0.000 0.451 65 G N 1.449 110.261 108.800 0.021 0.000 2.531 65 G HA2 0.277 4.237 3.960 -0.000 0.000 0.253 65 G HA3 0.277 4.237 3.960 -0.000 0.000 0.253 65 G C 0.695 175.618 174.900 0.038 0.000 1.439 65 G CA -0.042 45.080 45.100 0.037 0.000 1.056 65 G HN 0.783 nan 8.290 nan 0.000 0.555 66 G N -1.208 107.623 108.800 0.050 0.000 2.443 66 G HA2 0.056 4.015 3.960 -0.000 0.000 0.219 66 G HA3 0.056 4.015 3.960 -0.000 0.000 0.219 66 G C 0.541 175.457 174.900 0.026 0.000 1.131 66 G CA 0.335 45.465 45.100 0.050 0.000 0.775 66 G HN 0.238 nan 8.290 nan 0.000 0.547 67 L N 2.254 123.484 121.223 0.012 0.000 2.349 67 L HA 0.379 4.719 4.340 -0.000 0.000 0.275 67 L C -1.639 175.208 176.870 -0.039 0.000 1.115 67 L CA -2.263 52.572 54.840 -0.008 0.000 0.820 67 L CB 1.338 43.392 42.059 -0.008 0.000 1.135 67 L HN 0.003 nan 8.230 nan 0.000 0.445 68 P HA 0.333 nan 4.420 nan 0.000 0.280 68 P C 0.357 177.594 177.300 -0.105 0.000 1.272 68 P CA -0.333 62.727 63.100 -0.066 0.000 0.819 68 P CB 1.280 32.953 31.700 -0.045 0.000 1.122 69 G N -0.304 108.420 108.800 -0.127 0.000 2.148 69 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.254 69 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.254 69 G C -0.166 174.578 174.900 -0.260 0.000 0.981 69 G CA -0.057 44.952 45.100 -0.151 0.000 0.670 69 G HN 0.456 nan 8.290 nan 0.000 0.528 70 L N 0.926 121.912 121.223 -0.395 0.000 2.260 70 L HA 0.299 4.639 4.340 -0.000 0.000 0.289 70 L C -0.494 175.886 176.870 -0.817 0.000 1.057 70 L CA -1.923 52.425 54.840 -0.820 0.000 0.811 70 L CB 1.179 42.633 42.059 -1.009 0.000 1.184 70 L HN -0.065 nan 8.230 nan 0.000 0.429 71 P HA -0.138 nan 4.420 nan 0.000 0.223 71 P C 1.024 178.240 177.300 -0.140 0.000 1.151 71 P CA 1.002 63.941 63.100 -0.269 0.000 0.787 71 P CB 0.005 31.660 31.700 -0.075 0.000 0.788 72 W N -0.103 121.199 121.300 0.004 0.000 3.047 72 W HA 0.221 4.881 4.660 -0.000 0.000 0.250 72 W C 0.180 176.701 176.519 0.003 0.000 1.314 72 W CA -0.611 56.736 57.345 0.003 0.000 1.540 72 W CB -1.963 27.498 29.460 0.001 0.000 1.127 72 W HN -0.208 nan 8.180 nan 0.000 0.679 73 N N 3.415 121.982 118.700 -0.223 0.000 2.525 73 N HA 0.147 4.887 4.740 -0.000 0.000 0.271 73 N C -2.048 173.439 175.510 -0.039 0.000 1.194 73 N CA -1.522 51.475 53.050 -0.089 0.000 0.964 73 N CB 0.661 39.044 38.487 -0.175 0.000 1.126 73 N HN -0.215 nan 8.380 nan 0.000 0.452 74 P HA -0.001 nan 4.420 nan 0.000 0.274 74 P C -0.963 176.329 177.300 -0.013 0.000 1.246 74 P CA -0.126 62.975 63.100 0.002 0.000 0.795 74 P CB 0.615 32.324 31.700 0.015 0.000 1.006 75 D N 0.612 121.009 120.400 -0.005 0.000 2.435 75 D HA 0.024 4.664 4.640 -0.000 0.000 0.230 75 D C 1.290 177.598 176.300 0.014 0.000 1.215 75 D CA 0.046 54.044 54.000 -0.003 0.000 0.947 75 D CB -0.021 40.780 40.800 0.002 0.000 1.048 75 D HN 0.220 nan 8.370 nan 0.000 0.512 76 S N 2.407 118.115 115.700 0.014 0.000 2.453 76 S HA -0.101 4.369 4.470 -0.000 0.000 0.231 76 S C 1.414 176.045 174.600 0.052 0.000 1.005 76 S CA 0.529 58.745 58.200 0.027 0.000 0.949 76 S CB -0.043 63.170 63.200 0.022 0.000 0.774 76 S HN 0.492 nan 8.310 nan 0.000 0.510 77 E N 0.710 120.945 120.200 0.057 0.000 2.107 77 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 77 E C 2.313 178.982 176.600 0.116 0.000 0.982 77 E CA 0.824 57.284 56.400 0.100 0.000 0.809 77 E CB -0.180 29.567 29.700 0.078 0.000 0.756 77 E HN 0.492 nan 8.360 nan 0.000 0.459 78 Q N 0.862 120.708 119.800 0.076 0.000 2.084 78 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 78 Q C 2.135 178.177 176.000 0.070 0.000 0.978 78 Q CA 1.535 57.380 55.803 0.071 0.000 0.844 78 Q CB -0.108 28.655 28.738 0.042 0.000 0.898 78 Q HN 0.237 nan 8.270 nan 0.000 0.426 79 A N 0.801 123.655 122.820 0.057 0.000 1.908 79 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 79 A C 2.325 179.951 177.584 0.068 0.000 1.181 79 A CA 2.059 54.126 52.037 0.049 0.000 0.627 79 A CB -0.846 18.174 19.000 0.034 0.000 0.818 79 A HN 0.503 nan 8.150 nan 0.000 0.445 80 A N -0.939 121.940 122.820 0.098 0.000 1.902 80 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 80 A C 2.217 179.935 177.584 0.223 0.000 1.181 80 A CA 1.812 53.936 52.037 0.145 0.000 0.623 80 A CB -0.588 18.483 19.000 0.118 0.000 0.818 80 A HN 0.665 nan 8.150 nan 0.000 0.443 81 Q N -0.416 119.522 119.800 0.230 0.000 2.084 81 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 81 Q C 1.914 177.929 176.000 0.025 0.000 0.978 81 Q CA 1.766 57.662 55.803 0.154 0.000 0.844 81 Q CB -0.149 28.686 28.738 0.162 0.000 0.898 81 Q HN 0.790 nan 8.270 nan 0.000 0.426 82 E N -0.010 120.214 120.200 0.041 0.000 2.085 82 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 82 E C 1.894 178.497 176.600 0.005 0.000 0.994 82 E CA 1.017 57.426 56.400 0.016 0.000 0.801 82 E CB -0.120 29.593 29.700 0.021 0.000 0.743 82 E HN 0.465 nan 8.360 nan 0.000 0.453 83 A N 0.777 123.607 122.820 0.017 0.000 1.873 83 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 83 A C 2.425 180.005 177.584 -0.007 0.000 1.186 83 A CA 1.199 53.243 52.037 0.011 0.000 0.616 83 A CB -0.751 18.264 19.000 0.025 0.000 0.823 83 A HN 0.206 nan 8.150 nan 0.000 0.442 84 V N 0.776 120.659 119.914 -0.053 0.000 2.427 84 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 84 V C 2.048 178.120 176.094 -0.036 0.000 1.051 84 V CA 2.402 64.635 62.300 -0.112 0.000 1.048 84 V CB -0.897 30.650 31.823 -0.461 0.000 0.666 84 V HN 0.686 nan 8.190 nan 0.000 0.456 85 N N 0.321 118.981 118.700 -0.066 0.000 2.120 85 N HA -0.169 4.571 4.740 -0.000 0.000 0.188 85 N C 1.492 176.992 175.510 -0.017 0.000 1.024 85 N CA 1.405 54.436 53.050 -0.031 0.000 0.852 85 N CB -0.186 38.279 38.487 -0.036 0.000 1.003 85 N HN 0.459 nan 8.380 nan 0.000 0.424 86 N N 1.087 119.781 118.700 -0.011 0.000 2.289 86 N HA -0.059 4.681 4.740 -0.000 0.000 0.184 86 N C 1.300 176.808 175.510 -0.004 0.000 1.016 86 N CA 0.589 53.633 53.050 -0.009 0.000 0.872 86 N CB -0.237 38.249 38.487 -0.002 0.000 0.973 86 N HN 0.217 nan 8.380 nan 0.000 0.433 87 A N -0.321 122.517 122.820 0.030 0.000 2.235 87 A HA 0.354 4.674 4.320 -0.000 0.000 0.208 87 A C 1.500 179.076 177.584 -0.014 0.000 1.172 87 A CA 1.031 53.112 52.037 0.073 0.000 0.786 87 A CB -0.310 18.798 19.000 0.179 0.000 0.804 87 A HN 0.338 nan 8.150 nan 0.000 0.479 88 G N -3.353 105.386 108.800 -0.102 0.000 2.163 88 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.213 88 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.213 88 G C -0.311 174.322 174.900 -0.444 0.000 0.991 88 G CA -0.128 44.789 45.100 -0.305 0.000 0.653 88 G HN 0.427 nan 8.290 nan 0.000 0.518 89 W N 1.478 122.734 121.300 -0.073 0.000 2.587 89 W HA 0.683 5.342 4.660 -0.000 0.000 0.324 89 W C 0.441 176.896 176.519 -0.107 0.000 1.040 89 W CA -0.221 57.069 57.345 -0.092 0.000 1.222 89 W CB 2.003 31.366 29.460 -0.161 0.000 1.381 89 W HN 0.537 nan 8.180 nan 0.000 0.483 90 S N 0.562 116.386 115.700 0.206 0.000 2.548 90 S HA 0.681 5.151 4.470 -0.000 0.000 0.286 90 S C -0.866 173.803 174.600 0.115 0.000 1.098 90 S CA -1.014 57.246 58.200 0.099 0.000 0.930 90 S CB 1.284 64.532 63.200 0.080 0.000 1.070 90 S HN 0.220 nan 8.310 nan 0.000 0.480 91 V N 2.576 122.521 119.914 0.051 0.000 2.673 91 V HA 0.150 4.270 4.120 -0.000 0.000 0.303 91 V C 0.136 176.282 176.094 0.087 0.000 1.046 91 V CA 0.107 62.453 62.300 0.076 0.000 1.126 91 V CB 0.001 31.881 31.823 0.095 0.000 0.934 91 V HN 0.766 nan 8.190 nan 0.000 0.487 92 I N 4.458 125.074 120.570 0.076 0.000 2.359 92 I HA 0.306 4.476 4.170 -0.000 0.000 0.294 92 I C 0.678 176.828 176.117 0.054 0.000 0.987 92 I CA -0.081 61.232 61.300 0.021 0.000 1.225 92 I CB 1.747 39.670 38.000 -0.130 0.000 1.366 92 I HN 0.771 nan 8.210 nan 0.000 0.466 93 S N 4.605 120.322 115.700 0.029 0.000 2.603 93 S HA 0.378 4.848 4.470 -0.000 0.000 0.268 93 S C 1.152 175.818 174.600 0.109 0.000 1.317 93 S CA -0.174 58.058 58.200 0.054 0.000 1.012 93 S CB 1.720 64.939 63.200 0.033 0.000 0.926 93 S HN 0.738 nan 8.310 nan 0.000 0.539 94 A N 2.062 124.974 122.820 0.154 0.000 1.933 94 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 94 A C 2.227 179.911 177.584 0.167 0.000 1.175 94 A CA 2.074 54.274 52.037 0.272 0.000 0.628 94 A CB -1.866 17.308 19.000 0.290 0.000 0.814 94 A HN 0.903 nan 8.150 nan 0.000 0.444 95 T N 0.051 114.665 114.554 0.101 0.000 2.720 95 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 95 T C 2.026 176.776 174.700 0.083 0.000 1.037 95 T CA 1.761 63.910 62.100 0.082 0.000 1.144 95 T CB -0.277 68.628 68.868 0.061 0.000 0.864 95 T HN 0.633 nan 8.240 nan 0.000 0.444 96 Q N 0.192 120.025 119.800 0.055 0.000 2.124 96 Q HA 0.027 4.367 4.340 -0.000 0.000 0.202 96 Q C 2.148 178.150 176.000 0.003 0.000 0.977 96 Q CA 1.025 56.858 55.803 0.050 0.000 0.850 96 Q CB -0.251 28.463 28.738 -0.041 0.000 0.901 96 Q HN 0.483 nan 8.270 nan 0.000 0.429 97 L N -1.017 120.160 121.223 -0.076 0.000 2.509 97 L HA 0.132 4.472 4.340 -0.000 0.000 0.222 97 L C 1.105 178.038 176.870 0.105 0.000 1.123 97 L CA 0.328 55.129 54.840 -0.065 0.000 0.856 97 L CB -0.125 41.855 42.059 -0.132 0.000 0.985 97 L HN 0.371 nan 8.230 nan 0.000 0.456 98 G N 0.102 108.981 108.800 0.131 0.000 2.249 98 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.273 98 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.273 98 G C -0.129 174.875 174.900 0.174 0.000 1.036 98 G CA 0.046 45.227 45.100 0.134 0.000 0.824 98 G HN 0.364 nan 8.290 nan 0.000 0.504 99 Y N 0.086 120.426 120.300 0.066 0.000 2.341 99 Y HA 0.557 5.107 4.550 -0.000 0.000 0.340 99 Y C 0.863 176.821 175.900 0.096 0.000 0.997 99 Y CA -0.574 57.579 58.100 0.088 0.000 1.149 99 Y CB 1.418 39.952 38.460 0.123 0.000 1.171 99 Y HN 0.332 nan 8.280 nan 0.000 0.494 100 A N 4.607 127.204 122.820 -0.372 0.000 2.379 100 A HA 0.387 4.706 4.320 -0.000 0.000 0.236 100 A C 1.077 178.406 177.584 -0.425 0.000 1.272 100 A CA 0.382 52.247 52.037 -0.285 0.000 0.886 100 A CB -0.810 18.092 19.000 -0.163 0.000 0.962 100 A HN 0.896 nan 8.150 nan 0.000 0.504 101 G N -0.219 108.008 108.800 -0.956 0.000 2.508 101 G HA2 0.374 4.334 3.960 -0.000 0.000 0.278 101 G HA3 0.374 4.334 3.960 -0.000 0.000 0.278 101 G C -0.062 174.821 174.900 -0.028 0.000 1.389 101 G CA -0.637 44.151 45.100 -0.519 0.000 1.050 101 G HN 0.381 nan 8.290 nan 0.000 0.522 102 K N -0.268 120.229 120.400 0.161 0.000 2.234 102 K HA 0.462 4.782 4.320 -0.000 0.000 0.282 102 K C -0.265 176.464 176.600 0.215 0.000 1.039 102 K CA -0.259 56.094 56.287 0.110 0.000 0.928 102 K CB 0.564 33.070 32.500 0.010 0.000 1.039 102 K HN 0.613 nan 8.250 nan 0.000 0.470 103 T N 0.293 114.874 114.554 0.045 0.000 2.906 103 T HA 0.373 4.723 4.350 -0.000 0.000 0.295 103 T C -0.625 174.032 174.700 -0.071 0.000 1.075 103 T CA -1.014 61.085 62.100 -0.001 0.000 1.005 103 T CB 1.504 70.258 68.868 -0.190 0.000 1.136 103 T HN 0.667 nan 8.240 nan 0.000 0.498 104 D N 0.404 120.817 120.400 0.022 0.000 2.564 104 D HA 0.586 5.226 4.640 -0.000 0.000 0.273 104 D C 1.503 177.783 176.300 -0.032 0.000 1.192 104 D CA -0.559 53.430 54.000 -0.018 0.000 1.080 104 D CB 0.326 41.181 40.800 0.091 0.000 1.160 104 D HN 0.665 nan 8.370 nan 0.000 0.607 105 A N -0.838 121.962 122.820 -0.033 0.000 2.121 105 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 105 A C 1.832 179.402 177.584 -0.023 0.000 1.154 105 A CA 0.751 52.769 52.037 -0.032 0.000 0.679 105 A CB -0.550 18.432 19.000 -0.030 0.000 0.795 105 A HN 0.490 nan 8.150 nan 0.000 0.458 106 R N -1.330 119.153 120.500 -0.029 0.000 2.317 106 R HA 0.224 4.564 4.340 -0.000 0.000 0.208 106 R C 1.172 177.485 176.300 0.022 0.000 0.914 106 R CA 0.547 56.643 56.100 -0.006 0.000 1.060 106 R CB 0.009 30.260 30.300 -0.082 0.000 1.015 106 R HN 0.636 nan 8.270 nan 0.000 0.498 107 G N 1.227 110.005 108.800 -0.036 0.000 2.141 107 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.242 107 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.242 107 G C 0.195 174.965 174.900 -0.217 0.000 0.982 107 G CA 0.202 45.232 45.100 -0.118 0.000 0.662 107 G HN 0.288 nan 8.290 nan 0.000 0.527 108 T N 0.776 115.281 114.554 -0.082 0.000 2.884 108 T HA 0.480 4.830 4.350 -0.000 0.000 0.298 108 T C 0.055 174.741 174.700 -0.022 0.000 0.998 108 T CA 0.272 62.352 62.100 -0.034 0.000 1.124 108 T CB 0.716 69.567 68.868 -0.027 0.000 0.931 108 T HN 0.222 nan 8.240 nan 0.000 0.531 109 Y N 1.322 121.679 120.300 0.095 0.000 2.310 109 Y HA 0.440 4.990 4.550 -0.000 0.000 0.326 109 Y C 0.052 176.178 175.900 0.376 0.000 1.151 109 Y CA -0.713 57.534 58.100 0.244 0.000 1.195 109 Y CB 0.793 39.265 38.460 0.020 0.000 1.210 109 Y HN 0.584 nan 8.280 nan 0.000 0.483 110 Y N 0.086 120.670 120.300 0.473 0.000 2.487 110 Y HA 0.507 5.057 4.550 -0.000 0.000 0.337 110 Y C 0.849 176.917 175.900 0.280 0.000 1.076 110 Y CA -1.457 56.866 58.100 0.371 0.000 1.115 110 Y CB 1.492 40.068 38.460 0.192 0.000 1.235 110 Y HN 0.771 nan 8.280 nan 0.000 0.468 111 G N 1.127 109.974 108.800 0.079 0.000 2.391 111 G HA2 0.015 3.974 3.960 -0.000 0.000 0.234 111 G HA3 0.015 3.974 3.960 -0.000 0.000 0.234 111 G C 0.117 174.963 174.900 -0.090 0.000 1.284 111 G CA -0.229 44.649 45.100 -0.371 0.000 0.873 111 G HN 0.909 nan 8.290 nan 0.000 0.549 112 E N 0.147 120.252 120.200 -0.158 0.000 2.364 112 E HA 0.039 4.389 4.350 -0.000 0.000 0.196 112 E C 0.670 177.259 176.600 -0.018 0.000 0.990 112 E CA 0.512 56.903 56.400 -0.015 0.000 0.886 112 E CB 0.450 30.164 29.700 0.023 0.000 0.866 112 E HN 0.423 nan 8.360 nan 0.000 0.493 113 T N 1.058 115.586 114.554 -0.043 0.000 2.895 113 T HA 0.496 4.846 4.350 -0.000 0.000 0.283 113 T C -0.232 174.547 174.700 0.132 0.000 1.014 113 T CA -0.695 61.413 62.100 0.013 0.000 1.037 113 T CB 1.615 70.430 68.868 -0.087 0.000 1.006 113 T HN 0.120 nan 8.240 nan 0.000 0.468 114 A N 1.324 124.210 122.820 0.109 0.000 2.567 114 A HA 0.475 4.795 4.320 -0.000 0.000 0.240 114 A C 1.575 179.248 177.584 0.150 0.000 1.053 114 A CA 0.594 52.693 52.037 0.103 0.000 0.755 114 A CB -1.015 18.025 19.000 0.067 0.000 0.978 114 A HN 1.668 nan 8.150 nan 0.000 0.507 115 G N 0.921 109.747 108.800 0.043 0.000 2.194 115 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.236 115 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.236 115 G C 0.259 174.919 174.900 -0.400 0.000 0.987 115 G CA 0.832 45.846 45.100 -0.144 0.000 0.635 115 G HN 0.977 nan 8.290 nan 0.000 0.520 116 Y N 0.615 120.894 120.300 -0.035 0.000 2.675 116 Y HA 0.256 4.806 4.550 -0.000 0.000 0.248 116 Y C 2.399 178.237 175.900 -0.103 0.000 1.161 116 Y CA 0.704 58.733 58.100 -0.118 0.000 1.203 116 Y CB 0.459 38.739 38.460 -0.301 0.000 1.262 116 Y HN 0.328 nan 8.280 nan 0.000 0.544 117 T N -3.523 111.078 114.554 0.078 0.000 3.098 117 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 117 T C 1.582 176.382 174.700 0.166 0.000 1.145 117 T CA 1.457 63.622 62.100 0.109 0.000 1.092 117 T CB -0.471 68.455 68.868 0.097 0.000 0.908 117 T HN 0.383 nan 8.240 nan 0.000 0.526 118 T N -1.229 113.398 114.554 0.123 0.000 3.069 118 T HA 0.623 4.973 4.350 -0.000 0.000 0.252 118 T C 0.800 175.569 174.700 0.116 0.000 1.053 118 T CA -0.105 62.076 62.100 0.135 0.000 0.964 118 T CB -0.185 68.750 68.868 0.111 0.000 1.005 118 T HN 0.532 nan 8.240 nan 0.000 0.532 119 A N 1.236 124.124 122.820 0.114 0.000 2.462 119 A HA 0.614 4.934 4.320 -0.000 0.000 0.243 119 A C -0.090 177.626 177.584 0.220 0.000 1.076 119 A CA -0.321 51.826 52.037 0.184 0.000 0.773 119 A CB 0.244 19.245 19.000 0.001 0.000 1.010 119 A HN 0.527 nan 8.150 nan 0.000 0.493 120 Q N -0.491 119.481 119.800 0.286 0.000 2.372 120 Q HA 0.703 5.043 4.340 -0.000 0.000 0.273 120 Q C -0.639 175.454 176.000 0.154 0.000 1.078 120 Q CA 0.030 55.911 55.803 0.131 0.000 0.806 120 Q CB 2.350 30.991 28.738 -0.162 0.000 1.332 120 Q HN 1.104 nan 8.270 nan 0.000 0.435 121 A N 1.711 124.472 122.820 -0.097 0.000 2.454 121 A HA 0.828 5.148 4.320 -0.000 0.000 0.302 121 A C -1.247 176.206 177.584 -0.217 0.000 1.079 121 A CA -0.736 51.056 52.037 -0.407 0.000 0.731 121 A CB 1.485 19.814 19.000 -1.117 0.000 1.299 121 A HN 0.547 nan 8.150 nan 0.000 0.413 122 E N 0.564 120.601 120.200 -0.273 0.000 2.199 122 E HA 0.538 4.887 4.350 -0.000 0.000 0.269 122 E C -1.309 175.157 176.600 -0.222 0.000 0.899 122 E CA -0.611 55.736 56.400 -0.087 0.000 0.772 122 E CB 2.159 31.862 29.700 0.005 0.000 1.155 122 E HN 0.311 nan 8.360 nan 0.000 0.408 123 V N 3.991 123.852 119.914 -0.088 0.000 2.407 123 V HA 0.422 4.542 4.120 -0.000 0.000 0.291 123 V C -0.460 175.593 176.094 -0.068 0.000 1.018 123 V CA -0.649 61.530 62.300 -0.201 0.000 0.842 123 V CB 0.976 32.588 31.823 -0.352 0.000 0.996 123 V HN 0.449 nan 8.190 nan 0.000 0.426 124 L N 3.693 124.868 121.223 -0.080 0.000 2.333 124 L HA 0.991 5.331 4.340 -0.000 0.000 0.263 124 L C 0.480 177.483 176.870 0.221 0.000 1.014 124 L CA -0.259 54.622 54.840 0.069 0.000 0.820 124 L CB 2.053 44.141 42.059 0.049 0.000 1.352 124 L HN 0.690 nan 8.230 nan 0.000 0.421 125 G N -0.037 108.926 108.800 0.273 0.000 2.481 125 G HA2 0.651 4.611 3.960 -0.000 0.000 0.315 125 G HA3 0.651 4.611 3.960 -0.000 0.000 0.315 125 G C -1.764 173.046 174.900 -0.150 0.000 1.231 125 G CA -0.522 44.615 45.100 0.060 0.000 0.968 125 G HN 0.484 nan 8.290 nan 0.000 0.482 126 K N 0.441 120.476 120.400 -0.610 0.000 2.270 126 K HA 0.604 4.924 4.320 -0.000 0.000 0.255 126 K C -1.537 174.640 176.600 -0.705 0.000 0.936 126 K CA -0.723 55.114 56.287 -0.749 0.000 0.809 126 K CB 1.444 33.251 32.500 -1.155 0.000 1.131 126 K HN 0.521 nan 8.250 nan 0.000 0.427 127 Y N 1.312 121.471 120.300 -0.235 0.000 2.499 127 Y HA 0.165 4.715 4.550 -0.000 0.000 0.347 127 Y C 0.183 176.005 175.900 -0.130 0.000 0.987 127 Y CA -0.985 57.029 58.100 -0.142 0.000 1.044 127 Y CB 1.446 39.848 38.460 -0.097 0.000 1.245 127 Y HN 0.753 nan 8.280 nan 0.000 0.461 128 D N -0.485 119.945 120.400 0.049 0.000 2.447 128 D HA 0.171 4.810 4.640 -0.000 0.000 0.265 128 D C -0.183 176.128 176.300 0.018 0.000 1.250 128 D CA -0.792 53.211 54.000 0.004 0.000 1.046 128 D CB 0.417 41.211 40.800 -0.009 0.000 1.095 128 D HN 0.367 nan 8.370 nan 0.000 0.555 129 S N -1.393 114.305 115.700 -0.002 0.000 2.700 129 S HA 0.311 4.781 4.470 -0.000 0.000 0.321 129 S C 0.108 174.709 174.600 0.001 0.000 1.161 129 S CA -0.353 57.844 58.200 -0.005 0.000 1.078 129 S CB -0.452 62.741 63.200 -0.012 0.000 1.302 129 S HN 0.628 nan 8.310 nan 0.000 0.540 130 E N 1.284 121.487 120.200 0.005 0.000 3.485 130 E HA -0.018 4.332 4.350 -0.000 0.000 0.355 130 E C 0.753 177.365 176.600 0.019 0.000 0.478 130 E CA 0.141 56.546 56.400 0.008 0.000 1.349 130 E CB -1.325 28.381 29.700 0.010 0.000 2.871 130 E HN 1.110 nan 8.360 nan 0.000 0.378 131 G N 1.272 110.094 108.800 0.036 0.000 2.157 131 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.239 131 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.239 131 G C -0.187 174.824 174.900 0.185 0.000 0.982 131 G CA 0.182 45.312 45.100 0.050 0.000 0.650 131 G HN 0.109 nan 8.290 nan 0.000 0.527 132 N N 0.329 119.121 118.700 0.154 0.000 2.497 132 N HA 0.388 5.128 4.740 -0.000 0.000 0.271 132 N C 0.299 175.886 175.510 0.128 0.000 1.142 132 N CA -0.325 52.811 53.050 0.143 0.000 0.965 132 N CB 1.576 40.100 38.487 0.063 0.000 1.077 132 N HN 0.362 nan 8.380 nan 0.000 0.462 133 L N 1.652 122.900 121.223 0.042 0.000 2.455 133 L HA 0.087 4.427 4.340 -0.000 0.000 0.272 133 L C 1.317 178.057 176.870 -0.218 0.000 1.174 133 L CA 0.914 55.566 54.840 -0.313 0.000 0.869 133 L CB 0.699 42.519 42.059 -0.398 0.000 1.130 133 L HN 0.591 nan 8.230 nan 0.000 0.474 134 T N 2.988 117.372 114.554 -0.283 0.000 2.958 134 T HA 0.622 4.972 4.350 -0.000 0.000 0.256 134 T C -0.045 174.564 174.700 -0.151 0.000 0.983 134 T CA 0.409 62.405 62.100 -0.173 0.000 0.924 134 T CB 0.153 68.928 68.868 -0.154 0.000 1.136 134 T HN 0.792 nan 8.240 nan 0.000 0.506 135 A N 0.438 123.139 122.820 -0.198 0.000 2.612 135 A HA 0.753 5.073 4.320 -0.000 0.000 0.293 135 A C -1.874 175.744 177.584 0.056 0.000 1.075 135 A CA -0.684 51.322 52.037 -0.052 0.000 0.680 135 A CB 1.062 20.047 19.000 -0.025 0.000 1.279 135 A HN 0.340 nan 8.150 nan 0.000 0.411 136 I N 0.600 121.284 120.570 0.190 0.000 2.608 136 I HA 0.623 4.793 4.170 -0.000 0.000 0.295 136 I C 0.464 176.650 176.117 0.115 0.000 1.049 136 I CA -0.660 60.764 61.300 0.206 0.000 1.063 136 I CB 2.563 40.636 38.000 0.123 0.000 1.248 136 I HN 0.814 nan 8.210 nan 0.000 0.424 137 G N 6.303 115.045 108.800 -0.096 0.000 2.530 137 G HA2 0.774 4.733 3.960 -0.000 0.000 0.316 137 G HA3 0.774 4.733 3.960 -0.000 0.000 0.316 137 G C -1.059 173.576 174.900 -0.443 0.000 1.298 137 G CA -0.383 44.394 45.100 -0.540 0.000 0.948 137 G HN 0.446 nan 8.290 nan 0.000 0.486 138 I N 1.556 121.834 120.570 -0.487 0.000 2.389 138 I HA 0.411 4.581 4.170 -0.000 0.000 0.288 138 I C -0.039 175.640 176.117 -0.729 0.000 0.999 138 I CA -0.625 60.309 61.300 -0.611 0.000 1.129 138 I CB 2.156 39.769 38.000 -0.646 0.000 1.288 138 I HN 0.426 nan 8.210 nan 0.000 0.444 139 S N 6.270 121.529 115.700 -0.736 0.000 2.502 139 S HA 0.692 5.162 4.470 -0.000 0.000 0.304 139 S C -0.999 173.189 174.600 -0.686 0.000 1.097 139 S CA -0.422 57.417 58.200 -0.603 0.000 1.045 139 S CB 0.644 63.628 63.200 -0.360 0.000 1.019 139 S HN 0.293 nan 8.310 nan 0.000 0.481 140 F N 3.160 123.009 119.950 -0.167 0.000 2.436 140 F HA 0.535 5.062 4.527 -0.000 0.000 0.340 140 F C 0.810 176.530 175.800 -0.134 0.000 1.113 140 F CA -0.876 57.051 58.000 -0.121 0.000 1.022 140 F CB 1.062 40.059 39.000 -0.004 0.000 1.128 140 F HN 0.482 nan 8.300 nan 0.000 0.466 141 R N 1.377 121.889 120.500 0.020 0.000 2.490 141 R HA 0.479 4.819 4.340 -0.000 0.000 0.280 141 R C 0.622 176.859 176.300 -0.105 0.000 1.077 141 R CA -0.161 55.813 56.100 -0.210 0.000 1.065 141 R CB 0.570 30.739 30.300 -0.219 0.000 1.003 141 R HN 0.909 nan 8.270 nan 0.000 0.470 142 G N 1.275 109.925 108.800 -0.250 0.000 2.525 142 G HA2 0.016 3.975 3.960 -0.000 0.000 0.276 142 G HA3 0.016 3.975 3.960 -0.000 0.000 0.276 142 G C -0.662 174.334 174.900 0.160 0.000 1.388 142 G CA -0.542 44.615 45.100 0.094 0.000 1.050 142 G HN 0.593 nan 8.290 nan 0.000 0.520 143 T N 0.662 115.376 114.554 0.267 0.000 2.902 143 T HA 0.408 4.758 4.350 -0.000 0.000 0.301 143 T C 0.427 175.287 174.700 0.266 0.000 1.012 143 T CA 1.224 63.466 62.100 0.236 0.000 1.151 143 T CB -0.092 68.920 68.868 0.241 0.000 0.946 143 T HN 1.840 nan 8.240 nan 0.000 0.542 144 S N 1.362 117.171 115.700 0.183 0.000 3.424 144 S HA 0.369 4.839 4.470 -0.000 0.000 0.533 144 S C -0.465 174.202 174.600 0.111 0.000 0.648 144 S CA -0.731 57.566 58.200 0.162 0.000 1.260 144 S CB -0.729 62.604 63.200 0.223 0.000 1.339 144 S HN 1.484 nan 8.310 nan 0.000 0.484 145 G N -0.414 108.441 108.800 0.092 0.000 2.682 145 G HA2 0.780 4.739 3.960 -0.000 0.000 0.303 145 G HA3 0.780 4.739 3.960 -0.000 0.000 0.303 145 G C -3.583 171.340 174.900 0.039 0.000 1.341 145 G CA -0.808 44.320 45.100 0.047 0.000 0.784 145 G HN 0.747 nan 8.290 nan 0.000 0.497 146 P HA 0.144 nan 4.420 nan 0.000 0.265 146 P C 0.837 178.146 177.300 0.014 0.000 1.187 146 P CA -0.018 63.074 63.100 -0.014 0.000 0.766 146 P CB 0.695 32.400 31.700 0.007 0.000 0.820 147 R N 1.848 122.349 120.500 0.003 0.000 2.117 147 R HA -0.217 4.123 4.340 -0.000 0.000 0.243 147 R C 1.500 177.806 176.300 0.010 0.000 1.143 147 R CA 1.687 57.794 56.100 0.012 0.000 0.968 147 R CB -0.352 29.948 30.300 -0.000 0.000 0.863 147 R HN 0.546 nan 8.270 nan 0.000 0.444 148 E N -0.197 120.004 120.200 0.002 0.000 2.338 148 E HA -0.081 4.268 4.350 -0.000 0.000 0.197 148 E C 0.730 177.340 176.600 0.017 0.000 1.007 148 E CA 1.231 57.633 56.400 0.003 0.000 0.849 148 E CB 0.302 29.999 29.700 -0.005 0.000 0.774 148 E HN 0.318 nan 8.360 nan 0.000 0.506 149 S N -1.026 114.694 115.700 0.032 0.000 2.977 149 S HA 0.189 4.659 4.470 -0.000 0.000 0.250 149 S C 0.933 175.563 174.600 0.051 0.000 1.005 149 S CA -0.521 57.705 58.200 0.043 0.000 1.081 149 S CB -0.106 63.131 63.200 0.061 0.000 1.018 149 S HN 0.077 nan 8.310 nan 0.000 0.539 150 L N 1.917 123.166 121.223 0.044 0.000 1.989 150 L HA 0.116 4.456 4.340 -0.000 0.000 0.211 150 L C 1.932 178.833 176.870 0.051 0.000 1.071 150 L CA 1.902 56.773 54.840 0.052 0.000 0.749 150 L CB -0.623 41.465 42.059 0.049 0.000 0.890 150 L HN 0.530 nan 8.230 nan 0.000 0.431 151 I N -0.824 119.770 120.570 0.040 0.000 2.163 151 I HA -0.207 3.963 4.170 -0.000 0.000 0.240 151 I C 2.482 178.620 176.117 0.035 0.000 1.081 151 I CA 1.359 62.680 61.300 0.034 0.000 1.353 151 I CB -1.159 36.856 38.000 0.025 0.000 1.054 151 I HN 0.416 nan 8.210 nan 0.000 0.407 152 G N 0.042 108.864 108.800 0.036 0.000 2.422 152 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.218 152 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.218 152 G C 1.438 176.368 174.900 0.050 0.000 1.146 152 G CA 0.948 46.070 45.100 0.037 0.000 0.769 152 G HN 0.373 nan 8.290 nan 0.000 0.547 153 D N -0.011 120.427 120.400 0.064 0.000 2.117 153 D HA -0.096 4.544 4.640 -0.000 0.000 0.198 153 D C 2.413 178.758 176.300 0.075 0.000 0.982 153 D CA 1.457 55.505 54.000 0.080 0.000 0.828 153 D CB -0.029 40.826 40.800 0.093 0.000 0.967 153 D HN 0.223 nan 8.370 nan 0.000 0.464 154 T N 1.073 115.668 114.554 0.068 0.000 2.746 154 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 154 T C 2.186 176.917 174.700 0.052 0.000 1.039 154 T CA 0.643 62.784 62.100 0.068 0.000 1.142 154 T CB -0.099 68.805 68.868 0.061 0.000 0.866 154 T HN 0.203 nan 8.240 nan 0.000 0.444 155 I N 1.224 121.817 120.570 0.038 0.000 2.163 155 I HA -0.173 3.997 4.170 -0.000 0.000 0.243 155 I C 2.902 179.036 176.117 0.028 0.000 1.085 155 I CA 1.430 62.744 61.300 0.024 0.000 1.347 155 I CB -0.850 37.159 38.000 0.016 0.000 1.044 155 I HN 0.324 nan 8.210 nan 0.000 0.408 156 G N 0.582 109.405 108.800 0.038 0.000 2.446 156 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 156 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 156 G C 1.252 176.184 174.900 0.054 0.000 1.168 156 G CA 1.156 46.279 45.100 0.039 0.000 0.771 156 G HN 0.310 nan 8.290 nan 0.000 0.551 157 D N 0.196 120.644 120.400 0.080 0.000 2.117 157 D HA -0.091 4.549 4.640 -0.000 0.000 0.197 157 D C 2.762 179.112 176.300 0.084 0.000 0.987 157 D CA 0.790 54.854 54.000 0.107 0.000 0.829 157 D CB -0.545 40.327 40.800 0.120 0.000 0.961 157 D HN 0.211 nan 8.370 nan 0.000 0.460 158 V N 1.258 121.208 119.914 0.060 0.000 2.407 158 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 158 V C 2.503 178.614 176.094 0.029 0.000 1.055 158 V CA 1.032 63.359 62.300 0.045 0.000 1.049 158 V CB -0.353 31.481 31.823 0.018 0.000 0.662 158 V HN 0.190 nan 8.190 nan 0.000 0.455 159 I N 0.433 121.011 120.570 0.014 0.000 2.226 159 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 159 I C 2.218 178.319 176.117 -0.026 0.000 1.100 159 I CA 2.004 63.296 61.300 -0.015 0.000 1.374 159 I CB -0.595 37.390 38.000 -0.025 0.000 1.057 159 I HN 0.423 nan 8.210 nan 0.000 0.413 160 N N 0.625 119.342 118.700 0.029 0.000 2.084 160 N HA -0.203 4.537 4.740 -0.000 0.000 0.190 160 N C 1.409 176.958 175.510 0.065 0.000 1.030 160 N CA 1.362 54.478 53.050 0.110 0.000 0.849 160 N CB -0.089 38.552 38.487 0.256 0.000 1.012 160 N HN 0.295 nan 8.380 nan 0.000 0.423 161 D N 1.094 121.525 120.400 0.052 0.000 2.104 161 D HA -0.140 4.500 4.640 -0.000 0.000 0.194 161 D C 2.047 178.375 176.300 0.045 0.000 0.994 161 D CA 0.887 54.916 54.000 0.048 0.000 0.830 161 D CB -0.366 40.485 40.800 0.086 0.000 0.959 161 D HN 0.272 nan 8.370 nan 0.000 0.452 162 L N 0.185 121.441 121.223 0.055 0.000 2.056 162 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 162 L C 2.598 179.503 176.870 0.058 0.000 1.078 162 L CA 0.553 55.474 54.840 0.134 0.000 0.749 162 L CB -0.334 41.767 42.059 0.069 0.000 0.901 162 L HN 0.028 nan 8.230 nan 0.000 0.433 163 L N -0.386 120.726 121.223 -0.184 0.000 2.141 163 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 163 L C 2.795 179.392 176.870 -0.455 0.000 1.094 163 L CA 0.955 55.501 54.840 -0.491 0.000 0.763 163 L CB -0.605 40.779 42.059 -1.124 0.000 0.908 163 L HN 0.230 nan 8.230 nan 0.000 0.437 164 A N -0.160 122.527 122.820 -0.222 0.000 2.015 164 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 164 A C 2.316 179.841 177.584 -0.099 0.000 1.163 164 A CA 1.630 53.670 52.037 0.004 0.000 0.646 164 A CB -0.780 18.261 19.000 0.069 0.000 0.806 164 A HN 0.439 nan 8.150 nan 0.000 0.448 165 G N -2.199 106.494 108.800 -0.178 0.000 2.510 165 G HA2 0.227 4.187 3.960 -0.000 0.000 0.212 165 G HA3 0.227 4.187 3.960 -0.000 0.000 0.212 165 G C 0.869 175.344 174.900 -0.708 0.000 1.151 165 G CA 0.588 45.397 45.100 -0.486 0.000 0.817 165 G HN 0.445 nan 8.290 nan 0.000 0.534 166 F N 0.667 120.575 119.950 -0.070 0.000 2.729 166 F HA 0.415 4.942 4.527 -0.000 0.000 0.315 166 F C 1.559 177.315 175.800 -0.072 0.000 1.102 166 F CA -0.578 57.387 58.000 -0.058 0.000 1.204 166 F CB 0.803 39.773 39.000 -0.051 0.000 1.052 166 F HN 0.196 nan 8.300 nan 0.000 0.551 167 G N 0.363 109.167 108.800 0.007 0.000 2.641 167 G HA2 0.480 4.440 3.960 -0.000 0.000 0.239 167 G HA3 0.480 4.440 3.960 -0.000 0.000 0.239 167 G C -2.344 172.561 174.900 0.008 0.000 1.402 167 G CA -1.176 43.899 45.100 -0.042 0.000 1.046 167 G HN -0.167 nan 8.290 nan 0.000 0.565 168 P HA 0.184 nan 4.420 nan 0.000 0.269 168 P C -0.212 177.149 177.300 0.102 0.000 1.209 168 P CA -0.223 62.929 63.100 0.087 0.000 0.776 168 P CB 0.585 32.365 31.700 0.133 0.000 0.876 169 K N 1.495 121.937 120.400 0.070 0.000 2.489 169 K HA 0.230 4.550 4.320 -0.000 0.000 0.278 169 K C 1.116 177.764 176.600 0.079 0.000 1.000 169 K CA 0.945 57.268 56.287 0.060 0.000 1.012 169 K CB -0.520 32.002 32.500 0.037 0.000 0.903 169 K HN 0.763 nan 8.250 nan 0.000 0.485 170 G N 3.153 111.999 108.800 0.077 0.000 2.194 170 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.236 170 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.236 170 G C 0.500 175.454 174.900 0.090 0.000 0.987 170 G CA 0.393 45.530 45.100 0.062 0.000 0.635 170 G HN 0.791 nan 8.290 nan 0.000 0.520 171 Y N 1.467 121.790 120.300 0.038 0.000 2.128 171 Y HA 0.075 4.625 4.550 -0.000 0.000 0.284 171 Y C 2.949 178.906 175.900 0.095 0.000 1.154 171 Y CA 3.066 61.213 58.100 0.079 0.000 1.149 171 Y CB -0.446 38.061 38.460 0.078 0.000 0.976 171 Y HN 0.469 nan 8.280 nan 0.000 0.505 172 A N 0.041 122.990 122.820 0.214 0.000 1.908 172 A HA -0.223 4.096 4.320 -0.000 0.000 0.218 172 A C 1.927 179.515 177.584 0.008 0.000 1.181 172 A CA 2.076 54.174 52.037 0.102 0.000 0.627 172 A CB -0.904 18.130 19.000 0.057 0.000 0.818 172 A HN 0.547 nan 8.150 nan 0.000 0.445 173 D N -0.497 119.895 120.400 -0.012 0.000 2.178 173 D HA -0.080 4.560 4.640 -0.000 0.000 0.201 173 D C 1.925 178.174 176.300 -0.085 0.000 0.980 173 D CA 1.427 55.392 54.000 -0.057 0.000 0.842 173 D CB -0.498 40.269 40.800 -0.055 0.000 0.948 173 D HN 0.474 nan 8.370 nan 0.000 0.472 174 G N -0.881 107.852 108.800 -0.112 0.000 2.712 174 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.212 174 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.212 174 G C 1.410 176.172 174.900 -0.230 0.000 1.142 174 G CA -0.072 44.920 45.100 -0.180 0.000 0.789 174 G HN 0.260 nan 8.290 nan 0.000 0.535 175 Y N 2.003 122.128 120.300 -0.291 0.000 2.081 175 Y HA -0.236 4.314 4.550 -0.000 0.000 0.280 175 Y C 2.952 178.696 175.900 -0.260 0.000 1.163 175 Y CA 2.522 60.475 58.100 -0.245 0.000 1.135 175 Y CB -0.282 38.115 38.460 -0.105 0.000 0.970 175 Y HN 0.190 nan 8.280 nan 0.000 0.498 176 T N 0.990 115.498 114.554 -0.077 0.000 2.821 176 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 176 T C 1.737 176.397 174.700 -0.068 0.000 1.046 176 T CA 1.223 63.243 62.100 -0.133 0.000 1.139 176 T CB -0.538 68.244 68.868 -0.143 0.000 0.871 176 T HN 0.270 nan 8.240 nan 0.000 0.454 177 L N 1.314 122.504 121.223 -0.055 0.000 2.017 177 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 177 L C 2.134 178.892 176.870 -0.187 0.000 1.073 177 L CA 1.832 56.660 54.840 -0.020 0.000 0.745 177 L CB -0.420 41.566 42.059 -0.121 0.000 0.894 177 L HN 0.083 nan 8.230 nan 0.000 0.432 178 K N -0.979 119.151 120.400 -0.451 0.000 2.155 178 K HA 0.020 4.340 4.320 -0.000 0.000 0.203 178 K C 2.011 178.190 176.600 -0.701 0.000 1.052 178 K CA 1.019 56.903 56.287 -0.671 0.000 0.948 178 K CB -0.212 31.569 32.500 -1.198 0.000 0.728 178 K HN 0.441 nan 8.250 nan 0.000 0.448 179 A N 0.362 122.706 122.820 -0.794 0.000 1.898 179 A HA -0.014 4.306 4.320 -0.000 0.000 0.214 179 A C 1.018 178.064 177.584 -0.897 0.000 1.183 179 A CA 1.104 52.594 52.037 -0.911 0.000 0.622 179 A CB -0.004 18.282 19.000 -1.189 0.000 0.824 179 A HN 0.248 nan 8.150 nan 0.000 0.444 180 F N -1.366 118.532 119.950 -0.086 0.000 2.837 180 F HA 0.308 4.835 4.527 -0.000 0.000 0.328 180 F C 1.835 177.682 175.800 0.078 0.000 1.173 180 F CA -0.502 57.502 58.000 0.008 0.000 1.160 180 F CB -0.165 38.846 39.000 0.019 0.000 1.115 180 F HN 0.176 nan 8.300 nan 0.000 0.512 181 G N 0.799 109.752 108.800 0.255 0.000 2.476 181 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.218 181 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.218 181 G C 1.451 176.619 174.900 0.447 0.000 1.164 181 G CA 1.548 46.911 45.100 0.439 0.000 0.768 181 G HN 0.374 nan 8.290 nan 0.000 0.560 182 N N -0.133 118.746 118.700 0.297 0.000 2.171 182 N HA -0.029 4.711 4.740 -0.000 0.000 0.184 182 N C 1.983 177.661 175.510 0.279 0.000 1.021 182 N CA 0.771 53.999 53.050 0.296 0.000 0.854 182 N CB -0.194 38.458 38.487 0.275 0.000 0.994 182 N HN 0.237 nan 8.380 nan 0.000 0.426 183 L N 1.285 122.639 121.223 0.219 0.000 2.013 183 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 183 L C 1.686 178.440 176.870 -0.193 0.000 1.073 183 L CA 1.583 56.307 54.840 -0.194 0.000 0.753 183 L CB -0.585 41.208 42.059 -0.444 0.000 0.890 183 L HN 0.223 nan 8.230 nan 0.000 0.432 184 L N -0.786 120.340 121.223 -0.161 0.000 2.131 184 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 184 L C 2.515 179.283 176.870 -0.171 0.000 1.092 184 L CA 1.075 55.697 54.840 -0.365 0.000 0.759 184 L CB -1.343 40.161 42.059 -0.925 0.000 0.903 184 L HN 0.493 nan 8.230 nan 0.000 0.435 185 G N -0.291 108.553 108.800 0.073 0.000 2.418 185 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 185 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 185 G C 1.146 176.090 174.900 0.074 0.000 1.158 185 G CA 0.850 46.083 45.100 0.220 0.000 0.771 185 G HN 0.291 nan 8.290 nan 0.000 0.545 186 D N 0.146 120.581 120.400 0.059 0.000 2.144 186 D HA -0.061 4.579 4.640 -0.000 0.000 0.200 186 D C 2.779 179.075 176.300 -0.006 0.000 0.978 186 D CA 0.523 54.550 54.000 0.045 0.000 0.833 186 D CB -0.385 40.468 40.800 0.089 0.000 0.961 186 D HN 0.195 nan 8.370 nan 0.000 0.470 187 V N 1.439 121.306 119.914 -0.079 0.000 2.407 187 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 187 V C 2.512 178.574 176.094 -0.054 0.000 1.055 187 V CA 1.756 64.022 62.300 -0.057 0.000 1.049 187 V CB -0.773 30.983 31.823 -0.112 0.000 0.662 187 V HN 0.178 nan 8.190 nan 0.000 0.455 188 A N -0.277 122.410 122.820 -0.223 0.000 1.902 188 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 188 A C 2.304 179.502 177.584 -0.644 0.000 1.181 188 A CA 1.839 53.384 52.037 -0.820 0.000 0.623 188 A CB -0.387 18.061 19.000 -0.920 0.000 0.818 188 A HN 0.544 nan 8.150 nan 0.000 0.443 189 K N -1.619 118.627 120.400 -0.257 0.000 2.097 189 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 189 K C 1.774 178.358 176.600 -0.027 0.000 1.050 189 K CA 1.429 57.640 56.287 -0.126 0.000 0.938 189 K CB -0.311 32.178 32.500 -0.017 0.000 0.718 189 K HN 0.510 nan 8.250 nan 0.000 0.442 190 F N 1.895 121.793 119.950 -0.087 0.000 2.102 190 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 190 F C 2.223 178.076 175.800 0.089 0.000 1.105 190 F CA 1.415 59.434 58.000 0.032 0.000 1.239 190 F CB -0.439 38.567 39.000 0.009 0.000 0.991 190 F HN -0.028 nan 8.300 nan 0.000 0.474 191 A N 0.123 122.951 122.820 0.013 0.000 1.892 191 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 191 A C 2.151 179.715 177.584 -0.034 0.000 1.188 191 A CA 2.112 54.134 52.037 -0.026 0.000 0.631 191 A CB -1.048 17.996 19.000 0.072 0.000 0.822 191 A HN 0.631 nan 8.150 nan 0.000 0.447 192 Q N -0.973 118.761 119.800 -0.110 0.000 2.170 192 Q HA -0.070 4.270 4.340 -0.000 0.000 0.203 192 Q C 2.307 178.263 176.000 -0.073 0.000 0.976 192 Q CA 1.210 56.986 55.803 -0.046 0.000 0.858 192 Q CB -0.355 28.331 28.738 -0.088 0.000 0.907 192 Q HN 0.704 nan 8.270 nan 0.000 0.433 193 A N 0.133 122.876 122.820 -0.129 0.000 2.067 193 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 193 A C 0.821 178.173 177.584 -0.386 0.000 1.158 193 A CA 1.169 53.068 52.037 -0.229 0.000 0.661 193 A CB -0.317 18.532 19.000 -0.251 0.000 0.801 193 A HN 0.352 nan 8.150 nan 0.000 0.452 194 H N -1.719 117.201 119.070 -0.250 0.000 2.542 194 H HA 0.389 4.945 4.556 -0.000 0.000 0.283 194 H C 1.384 176.637 175.328 -0.125 0.000 1.059 194 H CA 0.334 56.249 56.048 -0.221 0.000 1.162 194 H CB 0.294 29.848 29.762 -0.347 0.000 1.539 194 H HN 0.509 nan 8.280 nan 0.000 0.543 195 G N 0.754 109.543 108.800 -0.017 0.000 2.153 195 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.252 195 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.252 195 G C 0.034 174.949 174.900 0.026 0.000 0.994 195 G CA 0.160 45.260 45.100 0.000 0.000 0.698 195 G HN 0.298 nan 8.290 nan 0.000 0.521 196 L N 0.624 121.880 121.223 0.054 0.000 2.399 196 L HA 0.712 5.052 4.340 -0.000 0.000 0.265 196 L C 1.076 178.031 176.870 0.141 0.000 1.089 196 L CA -0.102 54.783 54.840 0.075 0.000 0.802 196 L CB 1.590 43.697 42.059 0.080 0.000 1.180 196 L HN 0.428 nan 8.230 nan 0.000 0.454 197 S N -0.483 115.236 115.700 0.032 0.000 2.751 197 S HA 0.456 4.926 4.470 -0.000 0.000 0.310 197 S C 0.887 175.225 174.600 -0.438 0.000 1.128 197 S CA -0.143 57.964 58.200 -0.154 0.000 0.931 197 S CB 1.295 64.408 63.200 -0.146 0.000 1.177 197 S HN 0.736 nan 8.310 nan 0.000 0.530 198 G N 0.137 108.390 108.800 -0.911 0.000 2.475 198 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.220 198 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.220 198 G C 0.927 175.665 174.900 -0.269 0.000 1.125 198 G CA 0.812 45.457 45.100 -0.759 0.000 0.755 198 G HN 0.845 nan 8.290 nan 0.000 0.565 199 E N 0.523 120.615 120.200 -0.180 0.000 2.472 199 E HA -0.040 4.310 4.350 -0.000 0.000 0.200 199 E C 0.880 177.457 176.600 -0.038 0.000 1.046 199 E CA 0.494 56.853 56.400 -0.067 0.000 0.871 199 E CB 0.124 29.802 29.700 -0.036 0.000 0.806 199 E HN 0.370 nan 8.360 nan 0.000 0.533 200 D N 0.397 120.769 120.400 -0.047 0.000 2.325 200 D HA 0.029 4.669 4.640 -0.000 0.000 0.225 200 D C -0.316 176.001 176.300 0.030 0.000 1.096 200 D CA 0.259 54.258 54.000 -0.002 0.000 0.844 200 D CB 0.711 41.513 40.800 0.003 0.000 0.925 200 D HN -0.060 nan 8.370 nan 0.000 0.513 201 V N 1.192 121.107 119.914 0.002 0.000 2.495 201 V HA 0.281 4.401 4.120 -0.000 0.000 0.298 201 V C -0.007 176.028 176.094 -0.098 0.000 1.031 201 V CA -0.968 61.334 62.300 0.004 0.000 0.871 201 V CB 2.652 34.524 31.823 0.082 0.000 0.988 201 V HN -0.181 nan 8.190 nan 0.000 0.432 202 V N 6.595 126.428 119.914 -0.134 0.000 2.398 202 V HA 0.664 4.783 4.120 -0.000 0.000 0.286 202 V C -0.564 175.332 176.094 -0.331 0.000 1.026 202 V CA -0.147 62.010 62.300 -0.239 0.000 0.868 202 V CB 1.903 33.602 31.823 -0.206 0.000 0.982 202 V HN 0.649 nan 8.190 nan 0.000 0.443 203 V N 6.375 126.076 119.914 -0.355 0.000 2.448 203 V HA 0.738 4.858 4.120 -0.000 0.000 0.295 203 V C 0.097 176.088 176.094 -0.171 0.000 1.025 203 V CA 0.015 62.137 62.300 -0.297 0.000 0.859 203 V CB 1.384 33.050 31.823 -0.261 0.000 0.988 203 V HN 0.994 nan 8.190 nan 0.000 0.431 204 S N 2.400 117.996 115.700 -0.173 0.000 2.794 204 S HA 1.001 5.471 4.470 -0.000 0.000 0.299 204 S C -0.411 174.204 174.600 0.026 0.000 1.179 204 S CA 0.138 58.305 58.200 -0.055 0.000 0.838 204 S CB 2.101 65.261 63.200 -0.067 0.000 1.206 204 S HN 1.655 nan 8.310 nan 0.000 0.523 205 G N 0.360 109.243 108.800 0.138 0.000 2.350 205 G HA2 0.369 4.329 3.960 -0.000 0.000 0.305 205 G HA3 0.369 4.329 3.960 -0.000 0.000 0.305 205 G C -2.002 173.047 174.900 0.247 0.000 1.479 205 G CA -0.717 44.477 45.100 0.158 0.000 0.949 205 G HN 1.007 nan 8.290 nan 0.000 0.651 206 H N 0.151 119.270 119.070 0.082 0.000 2.538 206 H HA 0.768 5.324 4.556 -0.000 0.000 0.353 206 H C 0.814 176.190 175.328 0.080 0.000 1.109 206 H CA 1.221 57.307 56.048 0.063 0.000 1.192 206 H CB 1.901 31.671 29.762 0.013 0.000 1.555 206 H HN 1.710 nan 8.280 nan 0.000 0.518 207 S N 2.424 117.897 115.700 -0.380 0.000 4.118 207 S HA -0.320 4.150 4.470 -0.000 0.000 0.624 207 S C 1.260 175.856 174.600 -0.006 0.000 1.929 207 S CA 1.252 59.380 58.200 -0.121 0.000 4.219 207 S CB -1.463 61.801 63.200 0.107 0.000 0.206 207 S HN 0.844 nan 8.310 nan 0.000 0.525 208 L N 2.904 124.155 121.223 0.047 0.000 2.187 208 L HA 0.151 4.491 4.340 -0.000 0.000 0.213 208 L C 2.298 179.132 176.870 -0.062 0.000 1.100 208 L CA 3.038 57.849 54.840 -0.049 0.000 0.765 208 L CB -1.265 40.779 42.059 -0.025 0.000 0.904 208 L HN 0.691 nan 8.230 nan 0.000 0.437 209 G N -1.282 107.544 108.800 0.043 0.000 2.421 209 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.217 209 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.217 209 G C 1.486 176.455 174.900 0.116 0.000 1.143 209 G CA 0.451 45.622 45.100 0.119 0.000 0.784 209 G HN 0.573 nan 8.290 nan 0.000 0.541 210 G N 0.833 109.670 108.800 0.062 0.000 2.408 210 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.217 210 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.217 210 G C 1.731 176.635 174.900 0.007 0.000 1.150 210 G CA 0.727 45.858 45.100 0.052 0.000 0.776 210 G HN 0.429 nan 8.290 nan 0.000 0.542 211 L N 0.748 121.941 121.223 -0.050 0.000 2.013 211 L HA -0.067 4.273 4.340 -0.000 0.000 0.212 211 L C 3.108 179.904 176.870 -0.123 0.000 1.073 211 L CA 1.936 56.714 54.840 -0.103 0.000 0.753 211 L CB -0.253 41.700 42.059 -0.178 0.000 0.890 211 L HN 0.260 nan 8.230 nan 0.000 0.432 212 A N -0.928 121.795 122.820 -0.161 0.000 1.972 212 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 212 A C 2.181 179.613 177.584 -0.254 0.000 1.169 212 A CA 1.768 53.649 52.037 -0.259 0.000 0.635 212 A CB -0.882 17.846 19.000 -0.454 0.000 0.810 212 A HN 0.364 nan 8.150 nan 0.000 0.446 213 V N 0.958 120.876 119.914 0.006 0.000 2.295 213 V HA -0.261 3.858 4.120 -0.000 0.000 0.246 213 V C 2.270 178.389 176.094 0.041 0.000 1.049 213 V CA 2.089 64.493 62.300 0.174 0.000 1.024 213 V CB -0.864 31.087 31.823 0.214 0.000 0.648 213 V HN 0.595 nan 8.190 nan 0.000 0.447 214 N N -0.155 118.539 118.700 -0.010 0.000 2.188 214 N HA -0.153 4.587 4.740 -0.000 0.000 0.184 214 N C 2.156 177.582 175.510 -0.140 0.000 1.018 214 N CA 1.654 54.678 53.050 -0.044 0.000 0.858 214 N CB -0.130 38.361 38.487 0.005 0.000 0.989 214 N HN 0.476 nan 8.380 nan 0.000 0.426 215 S N 1.376 117.004 115.700 -0.119 0.000 2.348 215 S HA -0.102 4.368 4.470 -0.000 0.000 0.221 215 S C 2.019 176.535 174.600 -0.140 0.000 1.033 215 S CA 0.849 58.972 58.200 -0.128 0.000 1.010 215 S CB -0.143 63.019 63.200 -0.062 0.000 0.891 215 S HN 0.250 nan 8.310 nan 0.000 0.442 216 M N 1.012 120.557 119.600 -0.091 0.000 2.082 216 M HA -0.127 4.353 4.480 -0.000 0.000 0.258 216 M C 2.145 178.385 176.300 -0.099 0.000 1.069 216 M CA 1.957 57.273 55.300 0.028 0.000 1.102 216 M CB -0.558 32.116 32.600 0.122 0.000 1.336 216 M HN 0.479 nan 8.290 nan 0.000 0.404 217 A N 0.105 122.636 122.820 -0.482 0.000 1.902 217 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 217 A C 2.287 179.439 177.584 -0.720 0.000 1.181 217 A CA 1.852 53.403 52.037 -0.811 0.000 0.623 217 A CB -1.190 17.209 19.000 -1.003 0.000 0.818 217 A HN 0.683 nan 8.150 nan 0.000 0.443 218 A N -1.340 120.896 122.820 -0.973 0.000 2.019 218 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 218 A C 1.959 179.236 177.584 -0.512 0.000 1.164 218 A CA 1.579 52.875 52.037 -1.235 0.000 0.644 218 A CB -0.261 18.261 19.000 -0.795 0.000 0.805 218 A HN 0.508 nan 8.150 nan 0.000 0.449 219 Q N -0.381 119.263 119.800 -0.260 0.000 2.319 219 Q HA 0.021 4.361 4.340 -0.000 0.000 0.202 219 Q C 1.978 177.975 176.000 -0.005 0.000 0.896 219 Q CA 0.974 56.698 55.803 -0.133 0.000 0.942 219 Q CB 0.012 28.686 28.738 -0.107 0.000 1.083 219 Q HN 0.817 nan 8.270 nan 0.000 0.510 220 S N 0.119 115.887 115.700 0.114 0.000 2.461 220 S HA -0.071 4.399 4.470 -0.000 0.000 0.228 220 S C 1.213 175.959 174.600 0.243 0.000 1.005 220 S CA 0.652 59.060 58.200 0.348 0.000 0.942 220 S CB 0.109 63.545 63.200 0.394 0.000 0.776 220 S HN 0.106 nan 8.310 nan 0.000 0.514 221 D N 2.179 122.650 120.400 0.118 0.000 2.149 221 D HA 0.150 4.790 4.640 -0.000 0.000 0.201 221 D C 2.016 178.355 176.300 0.065 0.000 0.972 221 D CA 1.408 55.468 54.000 0.100 0.000 0.835 221 D CB -0.242 40.605 40.800 0.077 0.000 0.966 221 D HN 0.597 nan 8.370 nan 0.000 0.476 222 A N 0.010 122.834 122.820 0.006 0.000 2.063 222 A HA 0.054 4.374 4.320 -0.000 0.000 0.211 222 A C 1.117 178.636 177.584 -0.109 0.000 1.177 222 A CA 0.096 52.105 52.037 -0.047 0.000 0.759 222 A CB 0.290 19.242 19.000 -0.079 0.000 0.857 222 A HN 0.055 nan 8.150 nan 0.000 0.468 223 N N -1.165 117.417 118.700 -0.197 0.000 2.477 223 N HA 0.229 4.969 4.740 -0.000 0.000 0.284 223 N C -0.462 174.981 175.510 -0.111 0.000 1.182 223 N CA -0.369 52.388 53.050 -0.487 0.000 0.949 223 N CB 0.439 38.128 38.487 -1.329 0.000 1.204 223 N HN 0.416 nan 8.380 nan 0.000 0.526 224 W N -0.121 121.260 121.300 0.136 0.000 5.538 224 W HA -0.203 4.456 4.660 -0.000 0.000 0.377 224 W C 1.016 177.619 176.519 0.140 0.000 1.406 224 W CA 0.601 58.046 57.345 0.166 0.000 0.940 224 W CB -2.275 27.380 29.460 0.324 0.000 2.536 224 W HN 0.964 nan 8.180 nan 0.000 1.504 225 G N -1.063 107.859 108.800 0.203 0.000 2.203 225 G HA2 0.042 4.002 3.960 -0.000 0.000 0.263 225 G HA3 0.042 4.002 3.960 -0.000 0.000 0.263 225 G C 1.271 176.281 174.900 0.184 0.000 1.012 225 G CA 1.426 46.620 45.100 0.157 0.000 0.749 225 G HN 1.819 nan 8.290 nan 0.000 0.512 226 G N -1.590 107.347 108.800 0.227 0.000 2.168 226 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.263 226 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.263 226 G C 1.007 176.041 174.900 0.224 0.000 0.977 226 G CA 1.059 46.288 45.100 0.214 0.000 0.659 226 G HN 1.519 nan 8.290 nan 0.000 0.533 227 F N 0.506 120.514 119.950 0.097 0.000 2.120 227 F HA -0.031 4.496 4.527 -0.000 0.000 0.300 227 F C 2.108 177.841 175.800 -0.112 0.000 1.095 227 F CA 2.212 60.155 58.000 -0.094 0.000 1.249 227 F CB -0.060 38.752 39.000 -0.312 0.000 0.995 227 F HN 0.269 nan 8.300 nan 0.000 0.480 228 Y N -0.332 120.114 120.300 0.243 0.000 2.470 228 Y HA 0.377 4.927 4.550 -0.000 0.000 0.284 228 Y C 2.004 178.032 175.900 0.214 0.000 1.188 228 Y CA 0.100 58.292 58.100 0.153 0.000 1.269 228 Y CB -1.025 37.594 38.460 0.264 0.000 1.094 228 Y HN 0.140 nan 8.280 nan 0.000 0.518 229 A N -0.034 122.952 122.820 0.276 0.000 1.940 229 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 229 A C 1.813 179.544 177.584 0.245 0.000 1.176 229 A CA 1.493 53.682 52.037 0.254 0.000 0.631 229 A CB -0.159 18.938 19.000 0.161 0.000 0.814 229 A HN 0.266 nan 8.150 nan 0.000 0.446 230 Q N 0.395 120.278 119.800 0.138 0.000 2.189 230 Q HA 0.280 4.620 4.340 -0.000 0.000 0.221 230 Q C -0.069 175.986 176.000 0.091 0.000 0.848 230 Q CA -0.073 55.798 55.803 0.113 0.000 1.007 230 Q CB 0.159 28.915 28.738 0.030 0.000 1.116 230 Q HN 0.510 nan 8.270 nan 0.000 0.481 231 S N 1.776 117.533 115.700 0.094 0.000 2.608 231 S HA 0.212 4.682 4.470 -0.000 0.000 0.261 231 S C 0.480 174.987 174.600 -0.154 0.000 1.314 231 S CA -0.357 57.781 58.200 -0.103 0.000 0.992 231 S CB 0.470 63.538 63.200 -0.221 0.000 0.935 231 S HN 0.275 nan 8.310 nan 0.000 0.564 232 N N 1.600 120.148 118.700 -0.253 0.000 2.462 232 N HA 0.213 4.953 4.740 -0.000 0.000 0.242 232 N C -1.649 173.630 175.510 -0.384 0.000 1.010 232 N CA 0.023 52.965 53.050 -0.181 0.000 0.939 232 N CB 0.605 38.977 38.487 -0.191 0.000 1.127 232 N HN 0.472 nan 8.380 nan 0.000 0.509 233 Y N 0.730 121.015 120.300 -0.026 0.000 2.385 233 Y HA 0.304 4.854 4.550 -0.000 0.000 0.341 233 Y C 0.251 176.069 175.900 -0.136 0.000 0.965 233 Y CA -0.775 57.306 58.100 -0.030 0.000 1.180 233 Y CB 1.139 39.661 38.460 0.103 0.000 1.139 233 Y HN 0.131 nan 8.280 nan 0.000 0.502 234 V N 3.699 123.550 119.914 -0.106 0.000 2.349 234 V HA 0.696 4.816 4.120 -0.000 0.000 0.284 234 V C -0.166 175.737 176.094 -0.318 0.000 1.014 234 V CA -0.913 61.231 62.300 -0.259 0.000 0.826 234 V CB 1.071 32.674 31.823 -0.366 0.000 1.009 234 V HN 0.823 nan 8.190 nan 0.000 0.431 235 A N 5.258 127.907 122.820 -0.285 0.000 2.304 235 A HA 0.894 5.214 4.320 -0.000 0.000 0.323 235 A C -0.944 176.424 177.584 -0.361 0.000 1.195 235 A CA -0.324 51.596 52.037 -0.196 0.000 0.826 235 A CB 0.516 19.512 19.000 -0.007 0.000 1.184 235 A HN 0.619 nan 8.150 nan 0.000 0.496 236 F N 1.728 121.679 119.950 0.001 0.000 2.420 236 F HA 0.515 5.042 4.527 -0.000 0.000 0.342 236 F C 1.164 176.854 175.800 -0.183 0.000 1.113 236 F CA 0.518 58.489 58.000 -0.049 0.000 1.059 236 F CB 1.874 40.850 39.000 -0.039 0.000 1.128 236 F HN 0.986 nan 8.300 nan 0.000 0.475 237 A N 2.065 124.885 122.820 0.001 0.000 2.783 237 A HA -0.231 4.089 4.320 -0.000 0.000 0.292 237 A C 0.655 178.332 177.584 0.156 0.000 1.495 237 A CA 0.747 52.787 52.037 0.005 0.000 0.787 237 A CB -2.006 16.689 19.000 -0.507 0.000 1.017 237 A HN 0.691 nan 8.150 nan 0.000 0.516 238 S N 0.120 115.974 115.700 0.256 0.000 2.548 238 S HA 0.486 4.956 4.470 -0.000 0.000 0.277 238 S C -0.228 174.419 174.600 0.079 0.000 1.315 238 S CA -0.782 57.486 58.200 0.114 0.000 1.050 238 S CB 0.759 64.005 63.200 0.077 0.000 0.918 238 S HN 0.407 nan 8.310 nan 0.000 0.497 239 P HA 0.034 nan 4.420 nan 0.000 0.225 239 P C 0.481 177.690 177.300 -0.151 0.000 1.156 239 P CA 0.677 63.711 63.100 -0.109 0.000 0.787 239 P CB -0.267 31.361 31.700 -0.120 0.000 0.802 240 T N -2.635 111.850 114.554 -0.115 0.000 2.950 240 T HA 0.639 4.989 4.350 -0.000 0.000 0.288 240 T C -0.686 173.937 174.700 -0.127 0.000 1.035 240 T CA -0.687 61.337 62.100 -0.128 0.000 1.028 240 T CB 1.786 70.605 68.868 -0.081 0.000 1.109 240 T HN -0.176 nan 8.240 nan 0.000 0.514 241 Q N 0.595 120.304 119.800 -0.153 0.000 2.323 241 Q HA 0.500 4.840 4.340 -0.000 0.000 0.271 241 Q C -1.868 174.119 176.000 -0.021 0.000 1.048 241 Q CA -0.718 55.013 55.803 -0.119 0.000 0.792 241 Q CB 2.004 30.586 28.738 -0.259 0.000 1.280 241 Q HN 0.783 nan 8.270 nan 0.000 0.441 242 Y N 1.538 121.781 120.300 -0.094 0.000 2.342 242 Y HA 0.376 4.926 4.550 -0.000 0.000 0.338 242 Y C 0.011 175.875 175.900 -0.059 0.000 0.965 242 Y CA -0.164 57.888 58.100 -0.080 0.000 1.159 242 Y CB 1.067 39.470 38.460 -0.095 0.000 1.157 242 Y HN 0.771 nan 8.280 nan 0.000 0.486 243 E N 3.685 123.528 120.200 -0.594 0.000 2.539 243 E HA 0.301 4.651 4.350 -0.000 0.000 0.215 243 E C -0.019 176.270 176.600 -0.517 0.000 0.965 243 E CA -0.189 55.962 56.400 -0.415 0.000 1.019 243 E CB 0.761 30.346 29.700 -0.193 0.000 1.059 243 E HN 0.626 nan 8.360 nan 0.000 0.496 244 A N 0.885 123.189 122.820 -0.860 0.000 2.451 244 A HA 0.461 4.781 4.320 -0.000 0.000 0.266 244 A C 1.236 178.602 177.584 -0.363 0.000 1.119 244 A CA 0.802 52.534 52.037 -0.508 0.000 0.786 244 A CB -0.264 18.524 19.000 -0.353 0.000 1.061 244 A HN 0.320 nan 8.150 nan 0.000 0.503 245 G N 1.515 110.225 108.800 -0.150 0.000 2.195 245 G HA2 0.143 4.103 3.960 -0.000 0.000 0.246 245 G HA3 0.143 4.103 3.960 -0.000 0.000 0.246 245 G C 1.573 176.449 174.900 -0.040 0.000 0.984 245 G CA 0.733 45.808 45.100 -0.042 0.000 0.633 245 G HN 2.719 nan 8.290 nan 0.000 0.525 246 G N -0.140 108.606 108.800 -0.090 0.000 2.273 246 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.280 246 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.280 246 G C 0.918 175.811 174.900 -0.012 0.000 1.047 246 G CA 1.573 46.635 45.100 -0.064 0.000 0.869 246 G HN 0.920 nan 8.290 nan 0.000 0.502 247 K N -1.376 119.064 120.400 0.068 0.000 2.243 247 K HA 0.240 4.560 4.320 -0.000 0.000 0.201 247 K C 0.875 177.697 176.600 0.371 0.000 1.051 247 K CA 0.959 57.380 56.287 0.223 0.000 0.970 247 K CB 0.598 33.238 32.500 0.233 0.000 0.755 247 K HN 0.354 nan 8.250 nan 0.000 0.465 248 V N 1.910 121.980 119.914 0.259 0.000 2.604 248 V HA 0.336 4.456 4.120 -0.000 0.000 0.305 248 V C -0.574 175.682 176.094 0.269 0.000 1.043 248 V CA -0.974 61.506 62.300 0.300 0.000 0.888 248 V CB 2.208 34.135 31.823 0.174 0.000 0.995 248 V HN 0.097 nan 8.190 nan 0.000 0.429 249 I N 3.910 124.659 120.570 0.299 0.000 2.354 249 I HA 0.456 4.626 4.170 -0.000 0.000 0.292 249 I C -0.416 175.764 176.117 0.104 0.000 0.989 249 I CA -0.307 61.124 61.300 0.219 0.000 1.188 249 I CB 0.922 39.098 38.000 0.294 0.000 1.342 249 I HN 0.605 nan 8.210 nan 0.000 0.457 250 N N 8.838 127.624 118.700 0.144 0.000 2.485 250 N HA 0.426 5.166 4.740 -0.000 0.000 0.243 250 N C -0.958 174.725 175.510 0.288 0.000 0.987 250 N CA -0.188 52.977 53.050 0.191 0.000 0.940 250 N CB 1.537 40.162 38.487 0.230 0.000 1.122 250 N HN 0.501 nan 8.380 nan 0.000 0.509 251 I N 1.193 121.803 120.570 0.068 0.000 2.377 251 I HA 0.602 4.772 4.170 -0.000 0.000 0.293 251 I C 0.831 176.776 176.117 -0.287 0.000 0.987 251 I CA -0.455 60.846 61.300 0.002 0.000 1.185 251 I CB 1.902 39.884 38.000 -0.030 0.000 1.341 251 I HN 0.386 nan 8.210 nan 0.000 0.455 252 G N 4.112 112.460 108.800 -0.753 0.000 2.506 252 G HA2 0.441 4.400 3.960 -0.000 0.000 0.292 252 G HA3 0.441 4.400 3.960 -0.000 0.000 0.292 252 G C -2.059 172.325 174.900 -0.860 0.000 1.425 252 G CA -0.565 43.803 45.100 -1.220 0.000 0.788 252 G HN 0.204 nan 8.290 nan 0.000 0.490 253 Y N 1.023 121.093 120.300 -0.383 0.000 2.308 253 Y HA 0.301 4.851 4.550 -0.000 0.000 0.329 253 Y C 1.954 177.949 175.900 0.158 0.000 1.111 253 Y CA -0.257 57.767 58.100 -0.127 0.000 1.179 253 Y CB 1.749 40.088 38.460 -0.202 0.000 1.201 253 Y HN 0.835 nan 8.280 nan 0.000 0.483 254 E N 0.702 121.109 120.200 0.346 0.000 2.204 254 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 254 E C 0.580 177.323 176.600 0.238 0.000 0.989 254 E CA 1.390 57.990 56.400 0.333 0.000 0.824 254 E CB -0.138 29.706 29.700 0.239 0.000 0.756 254 E HN 0.699 nan 8.360 nan 0.000 0.477 255 N N 1.254 120.068 118.700 0.190 0.000 2.370 255 N HA -0.067 4.673 4.740 -0.000 0.000 0.198 255 N C -0.418 175.309 175.510 0.361 0.000 1.156 255 N CA 0.180 53.375 53.050 0.241 0.000 0.839 255 N CB 0.055 38.654 38.487 0.186 0.000 0.989 255 N HN 0.071 nan 8.380 nan 0.000 0.468 256 D N 2.196 122.794 120.400 0.331 0.000 2.339 256 D HA 0.162 4.802 4.640 -0.000 0.000 0.241 256 D C -1.463 174.978 176.300 0.235 0.000 1.183 256 D CA -2.208 51.947 54.000 0.258 0.000 0.859 256 D CB 1.736 42.783 40.800 0.412 0.000 1.067 256 D HN 0.032 nan 8.370 nan 0.000 0.484 257 P HA -0.111 nan 4.420 nan 0.000 0.223 257 P C 1.386 178.666 177.300 -0.033 0.000 1.151 257 P CA 0.325 63.363 63.100 -0.104 0.000 0.787 257 P CB 0.498 31.850 31.700 -0.581 0.000 0.788 258 V N -0.633 119.066 119.914 -0.358 0.000 2.548 258 V HA -0.100 4.020 4.120 -0.000 0.000 0.249 258 V C 1.428 177.520 176.094 -0.004 0.000 1.055 258 V CA 0.570 62.648 62.300 -0.369 0.000 1.065 258 V CB -1.288 30.023 31.823 -0.853 0.000 0.681 258 V HN -0.011 nan 8.190 nan 0.000 0.462 259 F N 2.329 122.297 119.950 0.030 0.000 2.533 259 F HA 0.338 4.865 4.527 -0.000 0.000 0.378 259 F C 1.259 177.160 175.800 0.168 0.000 1.070 259 F CA -0.748 57.322 58.000 0.115 0.000 1.172 259 F CB -0.625 38.502 39.000 0.213 0.000 1.085 259 F HN 0.161 nan 8.300 nan 0.000 0.552 260 R N 2.417 122.699 120.500 -0.364 0.000 3.878 260 R HA -0.244 4.096 4.340 -0.000 0.000 0.330 260 R C 1.208 177.288 176.300 -0.367 0.000 1.186 260 R CA 0.552 56.428 56.100 -0.374 0.000 0.885 260 R CB -2.162 27.910 30.300 -0.380 0.000 1.377 260 R HN 0.689 nan 8.270 nan 0.000 0.523 261 A N 0.625 123.143 122.820 -0.502 0.000 1.940 261 A HA -0.019 4.301 4.320 -0.000 0.000 0.219 261 A C 1.098 178.387 177.584 -0.492 0.000 1.176 261 A CA 1.033 52.551 52.037 -0.866 0.000 0.631 261 A CB 0.014 18.730 19.000 -0.474 0.000 0.814 261 A HN 0.277 nan 8.150 nan 0.000 0.446 262 L N -0.508 120.531 121.223 -0.306 0.000 2.360 262 L HA 0.364 4.704 4.340 -0.000 0.000 0.271 262 L C -0.543 176.230 176.870 -0.161 0.000 1.057 262 L CA -0.803 53.912 54.840 -0.209 0.000 0.803 262 L CB 1.122 43.074 42.059 -0.178 0.000 1.207 262 L HN 0.067 nan 8.230 nan 0.000 0.445 263 D N 1.228 121.576 120.400 -0.088 0.000 2.479 263 D HA 0.429 5.068 4.640 -0.000 0.000 0.218 263 D C 0.679 176.947 176.300 -0.054 0.000 1.131 263 D CA 0.873 54.868 54.000 -0.007 0.000 0.916 263 D CB 0.679 41.509 40.800 0.050 0.000 1.022 263 D HN 0.703 nan 8.370 nan 0.000 0.515 264 G N 3.583 112.292 108.800 -0.152 0.000 2.950 264 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.299 264 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.299 264 G C 0.882 175.724 174.900 -0.097 0.000 1.310 264 G CA 0.879 45.910 45.100 -0.115 0.000 0.994 264 G HN 0.880 nan 8.290 nan 0.000 0.575 265 T N -2.010 112.511 114.554 -0.056 0.000 3.091 265 T HA 0.627 4.977 4.350 -0.000 0.000 0.277 265 T C 0.546 175.207 174.700 -0.064 0.000 0.996 265 T CA 1.083 63.151 62.100 -0.054 0.000 0.897 265 T CB 0.533 69.391 68.868 -0.016 0.000 1.109 265 T HN 0.856 nan 8.240 nan 0.000 0.534 266 S N 1.948 117.608 115.700 -0.066 0.000 2.525 266 S HA 0.618 5.088 4.470 -0.000 0.000 0.278 266 S C -0.411 174.128 174.600 -0.102 0.000 1.234 266 S CA -0.782 57.377 58.200 -0.067 0.000 1.058 266 S CB 1.347 64.525 63.200 -0.037 0.000 0.983 266 S HN 0.487 nan 8.310 nan 0.000 0.495 267 L N 4.346 125.490 121.223 -0.131 0.000 2.319 267 L HA 0.517 4.857 4.340 -0.000 0.000 0.280 267 L C 0.361 177.178 176.870 -0.088 0.000 1.099 267 L CA 0.563 55.303 54.840 -0.167 0.000 0.828 267 L CB 0.426 42.320 42.059 -0.275 0.000 1.150 267 L HN 0.863 nan 8.230 nan 0.000 0.442 268 T N 1.176 115.692 114.554 -0.063 0.000 2.804 268 T HA 0.314 4.664 4.350 -0.000 0.000 0.290 268 T C 0.701 175.407 174.700 0.010 0.000 1.099 268 T CA -0.707 61.383 62.100 -0.016 0.000 1.011 268 T CB 0.700 69.565 68.868 -0.004 0.000 1.291 268 T HN 0.464 nan 8.240 nan 0.000 0.523 269 L N 1.327 122.568 121.223 0.030 0.000 2.012 269 L HA 0.145 4.485 4.340 -0.000 0.000 0.210 269 L C -0.804 176.111 176.870 0.075 0.000 1.073 269 L CA 1.958 56.829 54.840 0.052 0.000 0.748 269 L CB -1.454 40.634 42.059 0.049 0.000 0.891 269 L HN 0.599 nan 8.230 nan 0.000 0.431 270 P HA -0.081 nan 4.420 nan 0.000 0.225 270 P C 1.726 179.148 177.300 0.202 0.000 1.148 270 P CA 1.079 64.262 63.100 0.139 0.000 0.779 270 P CB -0.039 31.740 31.700 0.132 0.000 0.780 271 S N -0.418 115.331 115.700 0.082 0.000 2.402 271 S HA -0.111 4.359 4.470 -0.000 0.000 0.233 271 S C 1.491 176.160 174.600 0.114 0.000 1.030 271 S CA 1.066 59.260 58.200 -0.010 0.000 1.003 271 S CB -0.781 62.361 63.200 -0.097 0.000 0.813 271 S HN 0.228 nan 8.310 nan 0.000 0.477 272 L N 0.119 121.431 121.223 0.148 0.000 2.607 272 L HA 0.299 4.639 4.340 -0.000 0.000 0.228 272 L C 1.274 178.257 176.870 0.188 0.000 1.123 272 L CA -0.125 54.813 54.840 0.164 0.000 0.890 272 L CB -0.033 42.114 42.059 0.146 0.000 1.103 272 L HN 0.316 nan 8.230 nan 0.000 0.468 273 G N -0.629 108.317 108.800 0.243 0.000 3.310 273 G HA2 0.409 4.369 3.960 -0.000 0.000 0.174 273 G HA3 0.409 4.369 3.960 -0.000 0.000 0.174 273 G C -0.794 174.299 174.900 0.322 0.000 1.097 273 G CA -0.263 44.987 45.100 0.250 0.000 0.795 273 G HN -0.254 nan 8.290 nan 0.000 0.670 274 V N 2.469 122.513 119.914 0.217 0.000 2.530 274 V HA 0.331 4.451 4.120 -0.000 0.000 0.282 274 V C -0.392 175.705 176.094 0.004 0.000 1.048 274 V CA -0.250 62.059 62.300 0.016 0.000 0.997 274 V CB 0.711 32.471 31.823 -0.105 0.000 0.987 274 V HN 0.746 nan 8.190 nan 0.000 0.477 275 H N 1.862 120.990 119.070 0.098 0.000 2.380 275 H HA 0.390 4.946 4.556 -0.000 0.000 0.231 275 H C -0.579 174.759 175.328 0.017 0.000 1.415 275 H CA -0.542 55.535 56.048 0.050 0.000 1.433 275 H CB 0.733 30.529 29.762 0.057 0.000 1.544 275 H HN 0.612 nan 8.280 nan 0.000 0.503 276 D N 2.028 122.433 120.400 0.008 0.000 2.462 276 D HA 0.212 4.852 4.640 -0.000 0.000 0.221 276 D C 0.695 176.987 176.300 -0.013 0.000 1.173 276 D CA -0.263 53.736 54.000 -0.002 0.000 0.831 276 D CB 0.383 41.161 40.800 -0.038 0.000 1.001 276 D HN 0.661 nan 8.370 nan 0.000 0.499 277 A N 1.710 124.507 122.820 -0.039 0.000 2.520 277 A HA 0.374 4.694 4.320 -0.000 0.000 0.245 277 A C -2.100 175.368 177.584 -0.192 0.000 1.072 277 A CA -0.850 51.124 52.037 -0.104 0.000 0.761 277 A CB -0.046 18.879 19.000 -0.126 0.000 1.004 277 A HN 0.191 nan 8.150 nan 0.000 0.499 278 P HA 0.165 nan 4.420 nan 0.000 0.271 278 P C -0.705 176.459 177.300 -0.227 0.000 1.216 278 P CA 0.261 63.294 63.100 -0.111 0.000 0.771 278 P CB 0.542 32.225 31.700 -0.028 0.000 0.864 279 H N 1.143 120.206 119.070 -0.012 0.000 2.499 279 H HA 0.133 4.689 4.556 -0.000 0.000 0.340 279 H C 1.508 176.836 175.328 -0.000 0.000 1.148 279 H CA -0.020 56.014 56.048 -0.022 0.000 1.215 279 H CB 1.720 31.449 29.762 -0.054 0.000 1.529 279 H HN 0.418 nan 8.280 nan 0.000 0.510 280 T N -0.961 113.668 114.554 0.124 0.000 2.833 280 T HA -0.177 4.173 4.350 -0.000 0.000 0.269 280 T C 1.792 176.537 174.700 0.074 0.000 1.054 280 T CA 1.431 63.571 62.100 0.068 0.000 1.135 280 T CB -0.178 68.709 68.868 0.032 0.000 0.869 280 T HN 0.492 nan 8.240 nan 0.000 0.466 281 S N 0.807 116.556 115.700 0.081 0.000 2.593 281 S HA 0.602 5.072 4.470 -0.000 0.000 0.217 281 S C 0.752 175.433 174.600 0.134 0.000 0.966 281 S CA -0.295 57.955 58.200 0.083 0.000 0.914 281 S CB -0.270 62.959 63.200 0.047 0.000 0.776 281 S HN 0.840 nan 8.310 nan 0.000 0.523 282 A N 2.026 124.943 122.820 0.161 0.000 2.320 282 A HA 0.658 4.978 4.320 -0.000 0.000 0.334 282 A C 0.304 178.036 177.584 0.247 0.000 1.147 282 A CA -0.553 51.629 52.037 0.241 0.000 0.820 282 A CB 0.730 19.861 19.000 0.219 0.000 1.218 282 A HN 0.459 nan 8.150 nan 0.000 0.482 283 T N 0.321 115.066 114.554 0.320 0.000 2.776 283 T HA 0.192 4.542 4.350 -0.000 0.000 0.292 283 T C 0.226 175.111 174.700 0.307 0.000 0.921 283 T CA -0.581 61.668 62.100 0.248 0.000 1.038 283 T CB -0.099 68.904 68.868 0.225 0.000 0.910 283 T HN 0.536 nan 8.240 nan 0.000 0.536 284 N N 3.091 121.922 118.700 0.218 0.000 2.353 284 N HA 0.013 4.753 4.740 -0.000 0.000 0.185 284 N C 0.143 175.778 175.510 0.208 0.000 1.098 284 N CA 0.063 53.249 53.050 0.226 0.000 0.872 284 N CB 0.269 38.840 38.487 0.140 0.000 0.970 284 N HN 0.604 nan 8.380 nan 0.000 0.467 285 N N 0.596 119.388 118.700 0.153 0.000 2.466 285 N HA 0.235 4.975 4.740 -0.000 0.000 0.272 285 N C -0.603 174.923 175.510 0.027 0.000 1.455 285 N CA -0.055 53.048 53.050 0.088 0.000 0.875 285 N CB 1.390 39.890 38.487 0.022 0.000 1.372 285 N HN 0.118 nan 8.380 nan 0.000 0.492 286 I N 1.136 121.763 120.570 0.095 0.000 2.325 286 I HA 0.276 4.446 4.170 -0.000 0.000 0.291 286 I C 0.094 176.319 176.117 0.178 0.000 1.019 286 I CA -0.776 60.586 61.300 0.103 0.000 1.302 286 I CB 1.432 39.474 38.000 0.070 0.000 1.401 286 I HN -0.339 nan 8.210 nan 0.000 0.485 287 V N 5.694 125.665 119.914 0.094 0.000 2.427 287 V HA 0.204 4.324 4.120 -0.000 0.000 0.286 287 V C 0.258 176.213 176.094 -0.231 0.000 1.034 287 V CA -0.679 61.570 62.300 -0.085 0.000 0.893 287 V CB 1.637 33.355 31.823 -0.175 0.000 0.982 287 V HN 0.665 nan 8.190 nan 0.000 0.452 288 N N 4.129 122.454 118.700 -0.624 0.000 2.482 288 N HA 0.121 4.861 4.740 -0.000 0.000 0.242 288 N C -0.785 174.326 175.510 -0.664 0.000 1.100 288 N CA -0.300 52.136 53.050 -1.023 0.000 0.946 288 N CB 0.131 37.664 38.487 -1.590 0.000 1.227 288 N HN 0.570 nan 8.380 nan 0.000 0.508 289 F N 4.381 124.039 119.950 -0.486 0.000 2.566 289 F HA 0.215 4.742 4.527 -0.000 0.000 0.349 289 F C 0.179 175.900 175.800 -0.133 0.000 1.245 289 F CA -0.709 57.137 58.000 -0.258 0.000 1.169 289 F CB -0.256 38.697 39.000 -0.078 0.000 1.470 289 F HN 0.464 nan 8.300 nan 0.000 0.634 290 N N 1.059 119.597 118.700 -0.270 0.000 2.815 290 N HA 0.247 4.987 4.740 -0.000 0.000 0.315 290 N C 0.388 175.889 175.510 -0.016 0.000 1.320 290 N CA -0.736 52.232 53.050 -0.137 0.000 0.846 290 N CB 0.327 38.486 38.487 -0.546 0.000 1.344 290 N HN 0.090 nan 8.380 nan 0.000 0.593 291 D N -1.565 118.955 120.400 0.200 0.000 2.149 291 D HA -0.197 4.443 4.640 -0.000 0.000 0.198 291 D C 1.315 177.731 176.300 0.193 0.000 0.990 291 D CA 1.277 55.426 54.000 0.247 0.000 0.839 291 D CB -0.346 40.704 40.800 0.418 0.000 0.948 291 D HN 0.631 nan 8.370 nan 0.000 0.460 292 H N -0.648 118.391 119.070 -0.051 0.000 2.299 292 H HA -0.167 4.389 4.556 -0.000 0.000 0.302 292 H C 2.000 177.331 175.328 0.005 0.000 1.078 292 H CA 1.272 57.272 56.048 -0.079 0.000 1.323 292 H CB -0.460 29.074 29.762 -0.379 0.000 1.381 292 H HN 0.196 nan 8.280 nan 0.000 0.498 293 Y N 1.181 121.410 120.300 -0.119 0.000 2.207 293 Y HA -0.196 4.353 4.550 -0.000 0.000 0.287 293 Y C 2.650 178.348 175.900 -0.337 0.000 1.156 293 Y CA 1.962 59.927 58.100 -0.224 0.000 1.182 293 Y CB -0.521 37.724 38.460 -0.357 0.000 0.979 293 Y HN 0.306 nan 8.280 nan 0.000 0.521 294 A N -1.072 121.553 122.820 -0.325 0.000 2.066 294 A HA 0.002 4.322 4.320 -0.000 0.000 0.218 294 A C 1.468 178.998 177.584 -0.091 0.000 1.157 294 A CA 0.811 52.675 52.037 -0.289 0.000 0.670 294 A CB -0.714 18.204 19.000 -0.137 0.000 0.804 294 A HN 0.302 nan 8.150 nan 0.000 0.453 295 S N 0.403 116.085 115.700 -0.031 0.000 2.422 295 S HA 0.210 4.680 4.470 -0.000 0.000 0.283 295 S C 0.358 174.953 174.600 -0.010 0.000 1.163 295 S CA -0.574 57.661 58.200 0.058 0.000 1.054 295 S CB 0.144 63.507 63.200 0.271 0.000 0.967 295 S HN 0.357 nan 8.310 nan 0.000 0.499 296 D N 4.764 125.155 120.400 -0.016 0.000 2.123 296 D HA -0.098 4.542 4.640 -0.000 0.000 0.196 296 D C 2.140 178.430 176.300 -0.018 0.000 0.992 296 D CA 1.712 55.697 54.000 -0.026 0.000 0.833 296 D CB -0.428 40.363 40.800 -0.016 0.000 0.954 296 D HN 0.686 nan 8.370 nan 0.000 0.455 297 A N -0.033 122.766 122.820 -0.036 0.000 1.883 297 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 297 A C 2.220 179.756 177.584 -0.080 0.000 1.186 297 A CA 1.322 53.301 52.037 -0.096 0.000 0.624 297 A CB -1.291 17.597 19.000 -0.187 0.000 0.822 297 A HN 0.348 nan 8.150 nan 0.000 0.444 298 W N 0.290 121.563 121.300 -0.045 0.000 2.374 298 W HA -0.069 4.591 4.660 -0.000 0.000 0.288 298 W C 1.657 178.136 176.519 -0.066 0.000 1.218 298 W CA 0.892 58.209 57.345 -0.048 0.000 1.245 298 W CB -0.040 29.320 29.460 -0.168 0.000 1.126 298 W HN 0.323 nan 8.180 nan 0.000 0.545 299 N N 0.479 119.245 118.700 0.111 0.000 2.370 299 N HA 0.039 4.778 4.740 -0.000 0.000 0.198 299 N C 1.269 176.833 175.510 0.089 0.000 1.156 299 N CA 0.526 53.626 53.050 0.083 0.000 0.839 299 N CB -0.115 38.363 38.487 -0.015 0.000 0.989 299 N HN 0.272 nan 8.380 nan 0.000 0.468 300 L N 0.227 121.498 121.223 0.080 0.000 2.376 300 L HA 0.049 4.389 4.340 -0.000 0.000 0.219 300 L C 0.803 177.733 176.870 0.100 0.000 1.133 300 L CA 0.589 55.468 54.840 0.064 0.000 0.816 300 L CB -0.079 41.998 42.059 0.029 0.000 0.933 300 L HN 0.057 nan 8.230 nan 0.000 0.449 301 L N 0.109 121.427 121.223 0.158 0.000 2.399 301 L HA 0.297 4.637 4.340 -0.000 0.000 0.266 301 L C -2.039 174.947 176.870 0.194 0.000 1.114 301 L CA -2.085 52.865 54.840 0.184 0.000 0.804 301 L CB 0.252 42.467 42.059 0.259 0.000 1.146 301 L HN -0.212 nan 8.230 nan 0.000 0.451 302 P HA 0.017 nan 4.420 nan 0.000 0.271 302 P C -0.758 176.674 177.300 0.221 0.000 1.216 302 P CA -0.159 63.049 63.100 0.180 0.000 0.771 302 P CB 0.258 32.042 31.700 0.140 0.000 0.864 303 F N 3.125 123.140 119.950 0.109 0.000 2.502 303 F HA 0.353 4.880 4.527 -0.000 0.000 0.371 303 F C 0.405 176.258 175.800 0.088 0.000 1.083 303 F CA 1.050 59.112 58.000 0.103 0.000 1.174 303 F CB 0.246 39.286 39.000 0.068 0.000 1.096 303 F HN 0.244 nan 8.300 nan 0.000 0.545 304 S N 6.167 121.674 115.700 -0.322 0.000 2.556 304 S HA 0.214 4.684 4.470 -0.000 0.000 0.280 304 S C 0.366 174.877 174.600 -0.147 0.000 1.141 304 S CA -0.878 57.251 58.200 -0.119 0.000 0.883 304 S CB 0.839 64.071 63.200 0.054 0.000 1.103 304 S HN 0.828 nan 8.310 nan 0.000 0.453 305 I N 4.004 124.555 120.570 -0.031 0.000 2.657 305 I HA -0.066 4.104 4.170 -0.000 0.000 0.261 305 I C 0.942 177.267 176.117 0.347 0.000 1.212 305 I CA 1.282 62.645 61.300 0.104 0.000 1.453 305 I CB 0.007 38.064 38.000 0.095 0.000 1.092 305 I HN 0.705 nan 8.210 nan 0.000 0.452 306 L N -0.058 121.282 121.223 0.193 0.000 2.592 306 L HA 0.084 4.424 4.340 -0.000 0.000 0.227 306 L C 0.402 177.344 176.870 0.119 0.000 1.127 306 L CA -0.047 54.886 54.840 0.156 0.000 0.884 306 L CB -0.507 41.621 42.059 0.115 0.000 1.065 306 L HN 0.186 nan 8.230 nan 0.000 0.457 307 N N 0.696 119.475 118.700 0.131 0.000 2.546 307 N HA 0.162 4.902 4.740 -0.000 0.000 0.238 307 N C 0.973 176.571 175.510 0.146 0.000 0.984 307 N CA -0.261 52.857 53.050 0.113 0.000 0.935 307 N CB 0.728 39.272 38.487 0.095 0.000 1.122 307 N HN -0.112 nan 8.380 nan 0.000 0.510 308 I N 4.363 124.981 120.570 0.080 0.000 2.208 308 I HA -0.108 4.062 4.170 -0.000 0.000 0.245 308 I C -0.713 175.468 176.117 0.107 0.000 1.097 308 I CA 0.814 62.121 61.300 0.012 0.000 1.363 308 I CB -2.045 35.904 38.000 -0.085 0.000 1.051 308 I HN 0.477 nan 8.210 nan 0.000 0.413 309 P HA -0.160 nan 4.420 nan 0.000 0.217 309 P C 1.750 178.890 177.300 -0.266 0.000 1.148 309 P CA 2.029 65.126 63.100 -0.005 0.000 0.828 309 P CB -0.369 31.280 31.700 -0.086 0.000 0.783 310 T N -5.666 108.748 114.554 -0.234 0.000 2.962 310 T HA -0.163 4.187 4.350 -0.000 0.000 0.270 310 T C 1.394 175.919 174.700 -0.291 0.000 1.088 310 T CA 0.518 62.336 62.100 -0.469 0.000 1.127 310 T CB -1.206 67.414 68.868 -0.414 0.000 0.883 310 T HN 0.054 nan 8.240 nan 0.000 0.493 311 W N 0.747 121.880 121.300 -0.277 0.000 2.611 311 W HA 0.279 4.939 4.660 -0.000 0.000 0.251 311 W C 1.927 178.338 176.519 -0.179 0.000 1.265 311 W CA -0.438 56.811 57.345 -0.160 0.000 1.295 311 W CB -0.826 28.585 29.460 -0.081 0.000 1.129 311 W HN 0.253 nan 8.180 nan 0.000 0.630 312 L N 0.519 121.648 121.223 -0.157 0.000 2.051 312 L HA -0.300 4.040 4.340 -0.000 0.000 0.214 312 L C 2.165 178.869 176.870 -0.277 0.000 1.076 312 L CA 2.256 56.890 54.840 -0.342 0.000 0.758 312 L CB -1.043 40.538 42.059 -0.795 0.000 0.890 312 L HN -0.219 nan 8.230 nan 0.000 0.433 313 S N -2.059 113.454 115.700 -0.311 0.000 2.507 313 S HA -0.168 4.302 4.470 -0.000 0.000 0.235 313 S C 1.659 176.268 174.600 0.014 0.000 0.988 313 S CA 0.995 58.999 58.200 -0.326 0.000 0.944 313 S CB -0.611 62.431 63.200 -0.264 0.000 0.762 313 S HN 0.700 nan 8.310 nan 0.000 0.526 314 H N 0.723 119.784 119.070 -0.014 0.000 2.562 314 H HA 0.347 4.903 4.556 -0.000 0.000 0.267 314 H C 0.309 175.726 175.328 0.148 0.000 0.959 314 H CA -0.102 56.019 56.048 0.121 0.000 1.204 314 H CB -0.097 29.607 29.762 -0.096 0.000 1.430 314 H HN 0.223 nan 8.280 nan 0.000 0.545 315 L N 2.121 123.298 121.223 -0.076 0.000 2.525 315 L HA 0.041 4.381 4.340 -0.000 0.000 0.278 315 L C -1.151 175.406 176.870 -0.523 0.000 1.218 315 L CA -1.189 53.401 54.840 -0.416 0.000 0.878 315 L CB 0.643 42.253 42.059 -0.747 0.000 1.127 315 L HN 0.201 nan 8.230 nan 0.000 0.492 316 P HA -0.230 nan 4.420 nan 0.000 0.216 316 P C 1.379 178.451 177.300 -0.379 0.000 1.150 316 P CA 1.391 64.011 63.100 -0.800 0.000 0.843 316 P CB 0.013 31.097 31.700 -1.027 0.000 0.787 317 F N -2.496 117.255 119.950 -0.331 0.000 2.216 317 F HA -0.076 4.451 4.527 -0.000 0.000 0.300 317 F C 1.746 177.468 175.800 -0.130 0.000 1.085 317 F CA 0.920 58.775 58.000 -0.242 0.000 1.326 317 F CB -1.808 37.029 39.000 -0.271 0.000 1.027 317 F HN -0.222 nan 8.300 nan 0.000 0.497 318 F N -0.226 119.357 119.950 -0.611 0.000 2.234 318 F HA -0.069 4.458 4.527 -0.000 0.000 0.299 318 F C 2.149 177.959 175.800 0.017 0.000 1.087 318 F CA 0.849 58.676 58.000 -0.288 0.000 1.340 318 F CB -1.296 37.421 39.000 -0.472 0.000 1.031 318 F HN -0.039 nan 8.300 nan 0.000 0.500 319 Y N -0.158 120.180 120.300 0.064 0.000 2.163 319 Y HA -0.217 4.333 4.550 -0.000 0.000 0.288 319 Y C 2.727 178.568 175.900 -0.098 0.000 1.136 319 Y CA 1.697 59.779 58.100 -0.029 0.000 1.147 319 Y CB -0.831 37.496 38.460 -0.222 0.000 0.987 319 Y HN -0.020 nan 8.280 nan 0.000 0.509 320 Q N 0.744 120.550 119.800 0.011 0.000 2.020 320 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 320 Q C 1.675 177.709 176.000 0.057 0.000 0.982 320 Q CA 2.336 58.116 55.803 -0.038 0.000 0.838 320 Q CB -0.493 28.219 28.738 -0.043 0.000 0.899 320 Q HN 0.580 nan 8.270 nan 0.000 0.423 321 D N -1.474 119.003 120.400 0.128 0.000 2.120 321 D HA -0.051 4.589 4.640 -0.000 0.000 0.202 321 D C 1.813 178.226 176.300 0.187 0.000 0.972 321 D CA 1.450 55.546 54.000 0.159 0.000 0.837 321 D CB -0.390 40.536 40.800 0.210 0.000 0.989 321 D HN 0.371 nan 8.370 nan 0.000 0.469 322 G N 0.379 109.320 108.800 0.236 0.000 2.404 322 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.215 322 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.215 322 G C 1.635 176.676 174.900 0.234 0.000 1.174 322 G CA 0.465 45.721 45.100 0.260 0.000 0.780 322 G HN 0.306 nan 8.290 nan 0.000 0.537 323 L N 0.085 121.428 121.223 0.200 0.000 2.217 323 L HA 0.046 4.386 4.340 -0.000 0.000 0.211 323 L C 2.919 179.987 176.870 0.331 0.000 1.107 323 L CA 0.246 55.242 54.840 0.261 0.000 0.783 323 L CB -0.289 41.919 42.059 0.247 0.000 0.919 323 L HN 0.141 nan 8.230 nan 0.000 0.442 324 M N -0.430 119.318 119.600 0.247 0.000 2.175 324 M HA -0.128 4.351 4.480 -0.000 0.000 0.264 324 M C 2.299 178.703 176.300 0.172 0.000 1.063 324 M CA 1.535 56.967 55.300 0.220 0.000 1.119 324 M CB -0.935 31.747 32.600 0.137 0.000 1.377 324 M HN 0.178 nan 8.290 nan 0.000 0.415 325 R N -0.582 120.016 120.500 0.164 0.000 2.120 325 R HA -0.081 4.259 4.340 -0.000 0.000 0.234 325 R C 2.212 178.600 176.300 0.147 0.000 1.123 325 R CA 0.999 57.184 56.100 0.142 0.000 0.975 325 R CB -0.331 30.056 30.300 0.146 0.000 0.866 325 R HN 0.200 nan 8.270 nan 0.000 0.446 326 V N 1.241 121.264 119.914 0.182 0.000 2.270 326 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 326 V C 2.194 178.381 176.094 0.155 0.000 1.043 326 V CA 1.545 63.943 62.300 0.162 0.000 1.014 326 V CB -0.474 31.453 31.823 0.173 0.000 0.645 326 V HN 0.251 nan 8.190 nan 0.000 0.447 327 L N 0.906 122.231 121.223 0.169 0.000 2.043 327 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 327 L C 1.779 178.544 176.870 -0.174 0.000 1.075 327 L CA 2.255 57.052 54.840 -0.072 0.000 0.752 327 L CB -0.831 41.261 42.059 0.056 0.000 0.891 327 L HN 0.414 nan 8.230 nan 0.000 0.432 328 N N -1.348 117.344 118.700 -0.013 0.000 2.322 328 N HA 0.020 4.760 4.740 -0.000 0.000 0.194 328 N C 0.220 175.737 175.510 0.012 0.000 1.126 328 N CA 0.017 53.058 53.050 -0.014 0.000 0.845 328 N CB 0.141 38.641 38.487 0.022 0.000 0.976 328 N HN 0.233 nan 8.380 nan 0.000 0.475 329 S N 0.692 116.424 115.700 0.052 0.000 2.560 329 S HA -0.010 4.460 4.470 -0.000 0.000 0.284 329 S C 1.238 175.838 174.600 -0.000 0.000 1.327 329 S CA -0.206 58.028 58.200 0.057 0.000 1.055 329 S CB 0.729 64.010 63.200 0.135 0.000 0.868 329 S HN 0.220 nan 8.310 nan 0.000 0.506 330 E N 2.411 122.524 120.200 -0.146 0.000 2.265 330 E HA -0.130 4.220 4.350 -0.000 0.000 0.196 330 E C 0.387 176.845 176.600 -0.236 0.000 0.996 330 E CA 1.174 57.416 56.400 -0.264 0.000 0.832 330 E CB -0.099 29.302 29.700 -0.499 0.000 0.756 330 E HN 0.770 nan 8.360 nan 0.000 0.491 331 F N -1.180 118.826 119.950 0.093 0.000 2.727 331 F HA 0.076 4.603 4.527 -0.000 0.000 0.302 331 F C 1.569 177.320 175.800 -0.082 0.000 1.097 331 F CA -0.450 57.580 58.000 0.050 0.000 1.330 331 F CB -0.467 38.636 39.000 0.172 0.000 1.084 331 F HN 0.030 nan 8.300 nan 0.000 0.578 332 Y N 1.653 121.934 120.300 -0.032 0.000 2.151 332 Y HA -0.332 4.217 4.550 -0.000 0.000 0.284 332 Y C 2.574 178.371 175.900 -0.172 0.000 1.166 332 Y CA 1.961 59.961 58.100 -0.167 0.000 1.163 332 Y CB -0.370 38.011 38.460 -0.132 0.000 0.974 332 Y HN 0.103 nan 8.280 nan 0.000 0.511 333 S N -0.741 114.966 115.700 0.011 0.000 2.603 333 S HA -0.060 4.410 4.470 -0.000 0.000 0.229 333 S C 1.399 175.942 174.600 -0.095 0.000 0.972 333 S CA 0.976 59.168 58.200 -0.014 0.000 0.935 333 S CB -0.717 62.548 63.200 0.110 0.000 0.769 333 S HN 0.532 nan 8.310 nan 0.000 0.536 334 L N 1.774 122.864 121.223 -0.222 0.000 2.607 334 L HA 0.198 4.538 4.340 -0.000 0.000 0.228 334 L C 1.184 177.589 176.870 -0.775 0.000 1.123 334 L CA 0.121 54.706 54.840 -0.424 0.000 0.890 334 L CB -0.323 41.579 42.059 -0.262 0.000 1.103 334 L HN 0.409 nan 8.230 nan 0.000 0.468 335 T N -3.151 110.937 114.554 -0.777 0.000 2.899 335 T HA 0.383 4.733 4.350 -0.000 0.000 0.284 335 T C -0.334 174.041 174.700 -0.542 0.000 1.004 335 T CA -0.751 60.832 62.100 -0.861 0.000 1.043 335 T CB 1.996 70.187 68.868 -1.127 0.000 1.013 335 T HN -0.103 nan 8.240 nan 0.000 0.518 336 D N 0.009 120.188 120.400 -0.369 0.000 2.493 336 D HA 0.270 4.910 4.640 -0.000 0.000 0.239 336 D C 0.956 177.147 176.300 -0.182 0.000 1.049 336 D CA -0.870 53.025 54.000 -0.175 0.000 1.008 336 D CB 2.321 43.116 40.800 -0.009 0.000 1.398 336 D HN 0.682 nan 8.370 nan 0.000 0.513 337 K N 0.029 120.374 120.400 -0.092 0.000 2.107 337 K HA -0.196 4.124 4.320 -0.000 0.000 0.211 337 K C 0.247 176.834 176.600 -0.022 0.000 1.049 337 K CA 1.646 57.909 56.287 -0.040 0.000 0.927 337 K CB 0.158 32.674 32.500 0.027 0.000 0.714 337 K HN 0.276 nan 8.250 nan 0.000 0.452 338 D N 0.494 120.891 120.400 -0.007 0.000 2.424 338 D HA 0.082 4.722 4.640 -0.000 0.000 0.220 338 D C -0.529 175.778 176.300 0.011 0.000 1.150 338 D CA 0.071 54.085 54.000 0.023 0.000 0.831 338 D CB 0.618 41.447 40.800 0.048 0.000 0.981 338 D HN 0.034 nan 8.370 nan 0.000 0.500 339 S N 0.585 116.262 115.700 -0.038 0.000 2.552 339 S HA 0.031 4.501 4.470 -0.000 0.000 0.289 339 S C 0.608 175.210 174.600 0.004 0.000 1.304 339 S CA 0.224 58.422 58.200 -0.003 0.000 1.063 339 S CB 0.692 63.803 63.200 -0.148 0.000 0.848 339 S HN 0.105 nan 8.310 nan 0.000 0.499 340 T N 4.716 119.302 114.554 0.052 0.000 2.769 340 T HA 0.316 4.666 4.350 -0.000 0.000 0.293 340 T C 0.109 174.850 174.700 0.068 0.000 0.931 340 T CA 0.150 62.213 62.100 -0.062 0.000 1.139 340 T CB -0.504 68.269 68.868 -0.159 0.000 0.881 340 T HN 0.382 nan 8.240 nan 0.000 0.532 341 I N 4.718 125.294 120.570 0.010 0.000 2.447 341 I HA 0.369 4.538 4.170 -0.000 0.000 0.287 341 I C -0.552 175.606 176.117 0.069 0.000 1.023 341 I CA -1.044 60.303 61.300 0.080 0.000 1.083 341 I CB 1.819 39.822 38.000 0.004 0.000 1.245 341 I HN 0.349 nan 8.210 nan 0.000 0.434 342 I N 7.082 127.712 120.570 0.100 0.000 2.312 342 I HA 0.304 4.474 4.170 -0.000 0.000 0.290 342 I C 0.010 176.187 176.117 0.100 0.000 1.008 342 I CA -0.709 60.643 61.300 0.087 0.000 1.226 342 I CB 1.318 39.367 38.000 0.082 0.000 1.371 342 I HN 0.149 nan 8.210 nan 0.000 0.468 343 V N 5.150 125.122 119.914 0.097 0.000 2.350 343 V HA 0.206 4.326 4.120 -0.000 0.000 0.276 343 V C 0.771 176.927 176.094 0.105 0.000 1.028 343 V CA -0.589 61.782 62.300 0.117 0.000 0.860 343 V CB 1.509 33.432 31.823 0.168 0.000 0.990 343 V HN 0.850 nan 8.190 nan 0.000 0.453 344 S N 4.810 120.579 115.700 0.114 0.000 2.498 344 S HA 0.177 4.647 4.470 -0.000 0.000 0.281 344 S C 0.504 175.224 174.600 0.199 0.000 1.265 344 S CA -0.161 58.124 58.200 0.141 0.000 1.071 344 S CB -0.214 63.040 63.200 0.090 0.000 0.894 344 S HN 0.777 nan 8.310 nan 0.000 0.491 345 N N 4.849 123.692 118.700 0.238 0.000 2.588 345 N HA 0.243 4.983 4.740 -0.000 0.000 0.298 345 N C -0.945 174.834 175.510 0.448 0.000 1.718 345 N CA -0.198 53.045 53.050 0.323 0.000 0.888 345 N CB 0.450 38.978 38.487 0.067 0.000 1.389 345 N HN 0.510 nan 8.380 nan 0.000 0.491 346 L N 0.776 122.240 121.223 0.402 0.000 2.439 346 L HA 0.336 4.676 4.340 -0.000 0.000 0.261 346 L C 1.376 178.419 176.870 0.287 0.000 1.153 346 L CA -0.340 54.716 54.840 0.360 0.000 0.808 346 L CB 0.741 42.963 42.059 0.272 0.000 1.126 346 L HN 0.160 nan 8.230 nan 0.000 0.460 347 S N 0.141 115.847 115.700 0.010 0.000 2.634 347 S HA 0.146 4.616 4.470 -0.000 0.000 0.261 347 S C 0.760 175.362 174.600 0.003 0.000 1.271 347 S CA -0.720 57.355 58.200 -0.209 0.000 0.985 347 S CB 0.650 63.528 63.200 -0.536 0.000 0.968 347 S HN 0.589 nan 8.310 nan 0.000 0.568 348 N N 0.235 118.944 118.700 0.014 0.000 2.453 348 N HA -0.039 4.701 4.740 -0.000 0.000 0.183 348 N C 1.456 176.971 175.510 0.009 0.000 1.041 348 N CA 0.600 53.666 53.050 0.027 0.000 0.900 348 N CB -0.742 37.762 38.487 0.029 0.000 0.961 348 N HN 0.440 nan 8.380 nan 0.000 0.443 349 V N 0.399 120.311 119.914 -0.004 0.000 2.719 349 V HA -0.090 4.030 4.120 -0.000 0.000 0.252 349 V C 2.133 178.244 176.094 0.029 0.000 1.065 349 V CA 2.004 64.311 62.300 0.013 0.000 1.086 349 V CB -0.481 31.354 31.823 0.020 0.000 0.700 349 V HN 0.513 nan 8.190 nan 0.000 0.467 350 T N -3.155 111.423 114.554 0.040 0.000 2.971 350 T HA 0.063 4.413 4.350 -0.000 0.000 0.252 350 T C 1.805 176.531 174.700 0.043 0.000 1.022 350 T CA 0.098 62.236 62.100 0.063 0.000 0.980 350 T CB -0.045 68.893 68.868 0.116 0.000 1.044 350 T HN 0.260 nan 8.240 nan 0.000 0.501 351 R N 1.311 121.831 120.500 0.033 0.000 2.105 351 R HA 0.019 4.359 4.340 -0.000 0.000 0.239 351 R C 2.391 178.644 176.300 -0.079 0.000 1.135 351 R CA 1.644 57.747 56.100 0.005 0.000 0.967 351 R CB -0.730 29.585 30.300 0.025 0.000 0.861 351 R HN 0.505 nan 8.270 nan 0.000 0.442 352 G N -0.494 108.265 108.800 -0.069 0.000 2.920 352 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.208 352 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.208 352 G C 0.372 175.190 174.900 -0.136 0.000 1.159 352 G CA 0.431 45.466 45.100 -0.109 0.000 0.784 352 G HN 0.617 nan 8.290 nan 0.000 0.535 353 N N -1.739 116.896 118.700 -0.109 0.000 2.116 353 N HA 0.136 4.876 4.740 -0.000 0.000 0.230 353 N C -0.264 175.208 175.510 -0.063 0.000 1.326 353 N CA -0.180 52.822 53.050 -0.080 0.000 0.867 353 N CB 0.717 39.201 38.487 -0.006 0.000 1.174 353 N HN -0.100 nan 8.380 nan 0.000 0.506 354 T N 0.450 114.939 114.554 -0.108 0.000 2.841 354 T HA 0.298 4.648 4.350 -0.000 0.000 0.285 354 T C -1.279 173.363 174.700 -0.097 0.000 0.991 354 T CA -0.396 61.717 62.100 0.021 0.000 0.966 354 T CB 0.838 69.808 68.868 0.169 0.000 0.962 354 T HN 0.136 nan 8.240 nan 0.000 0.438 355 W N 2.567 123.909 121.300 0.071 0.000 2.311 355 W HA 0.454 5.114 4.660 -0.000 0.000 0.310 355 W C -0.054 176.386 176.519 -0.133 0.000 1.274 355 W CA -0.690 56.643 57.345 -0.020 0.000 1.215 355 W CB 0.496 29.947 29.460 -0.016 0.000 1.227 355 W HN 0.312 nan 8.180 nan 0.000 0.523 356 V N 5.063 124.876 119.914 -0.167 0.000 2.439 356 V HA 0.180 4.300 4.120 -0.000 0.000 0.271 356 V C 0.167 176.040 176.094 -0.369 0.000 1.040 356 V CA -0.282 61.574 62.300 -0.739 0.000 1.002 356 V CB -0.282 31.210 31.823 -0.552 0.000 1.000 356 V HN 0.634 nan 8.190 nan 0.000 0.477 357 E N 2.488 122.453 120.200 -0.391 0.000 2.423 357 E HA 0.354 4.704 4.350 -0.000 0.000 0.280 357 E C -1.449 175.266 176.600 0.191 0.000 1.030 357 E CA -1.008 55.398 56.400 0.010 0.000 0.812 357 E CB 1.613 31.380 29.700 0.111 0.000 1.313 357 E HN 0.342 nan 8.360 nan 0.000 0.456 358 D N 1.795 122.318 120.400 0.204 0.000 2.470 358 D HA 0.144 4.784 4.640 -0.000 0.000 0.226 358 D C 0.564 177.048 176.300 0.305 0.000 1.196 358 D CA -0.086 54.096 54.000 0.302 0.000 0.979 358 D CB 0.260 41.217 40.800 0.262 0.000 1.059 358 D HN 0.525 nan 8.370 nan 0.000 0.515 359 L N 2.861 124.325 121.223 0.401 0.000 2.291 359 L HA -0.012 4.327 4.340 -0.000 0.000 0.214 359 L C 1.232 178.191 176.870 0.148 0.000 1.120 359 L CA 0.215 55.191 54.840 0.228 0.000 0.799 359 L CB -0.579 41.549 42.059 0.115 0.000 0.925 359 L HN 0.545 nan 8.230 nan 0.000 0.446 360 N N 0.230 119.080 118.700 0.249 0.000 2.725 360 N HA -0.226 4.514 4.740 -0.000 0.000 0.249 360 N C 0.360 175.865 175.510 -0.007 0.000 1.103 360 N CA 0.144 53.216 53.050 0.037 0.000 0.707 360 N CB -0.418 37.994 38.487 -0.125 0.000 1.043 360 N HN 0.248 nan 8.380 nan 0.000 0.553 361 R N 0.771 121.299 120.500 0.047 0.000 2.491 361 R HA 0.079 4.419 4.340 -0.000 0.000 0.283 361 R C 0.136 176.398 176.300 -0.064 0.000 1.072 361 R CA 0.417 56.458 56.100 -0.098 0.000 1.048 361 R CB 0.150 30.218 30.300 -0.388 0.000 0.983 361 R HN 0.414 nan 8.270 nan 0.000 0.450 362 N N 0.420 119.031 118.700 -0.148 0.000 2.705 362 N HA -0.289 4.451 4.740 -0.000 0.000 0.255 362 N C -1.405 173.919 175.510 -0.310 0.000 1.008 362 N CA 0.698 53.574 53.050 -0.290 0.000 0.742 362 N CB -0.444 37.709 38.487 -0.557 0.000 0.906 362 N HN 0.673 nan 8.380 nan 0.000 0.541 363 A N -0.328 122.384 122.820 -0.181 0.000 2.608 363 A HA 0.482 4.801 4.320 -0.000 0.000 0.292 363 A C -0.738 176.769 177.584 -0.129 0.000 1.066 363 A CA -0.862 51.093 52.037 -0.136 0.000 0.676 363 A CB 1.131 20.096 19.000 -0.058 0.000 1.277 363 A HN 0.195 nan 8.150 nan 0.000 0.413 364 E N 0.789 120.940 120.200 -0.082 0.000 2.404 364 E HA 0.277 4.627 4.350 -0.000 0.000 0.261 364 E C -0.262 176.264 176.600 -0.123 0.000 1.074 364 E CA 0.125 56.485 56.400 -0.067 0.000 0.917 364 E CB 0.387 30.077 29.700 -0.017 0.000 0.965 364 E HN 0.561 nan 8.360 nan 0.000 0.433 365 T N 2.493 116.991 114.554 -0.092 0.000 2.902 365 T HA -0.002 4.347 4.350 -0.000 0.000 0.301 365 T C -0.060 174.625 174.700 -0.025 0.000 1.012 365 T CA 0.240 62.276 62.100 -0.106 0.000 1.151 365 T CB -0.079 68.766 68.868 -0.038 0.000 0.946 365 T HN 0.297 nan 8.240 nan 0.000 0.542 366 H N 1.083 120.183 119.070 0.050 0.000 2.615 366 H HA 0.463 5.019 4.556 -0.000 0.000 0.363 366 H C 0.827 176.188 175.328 0.054 0.000 1.148 366 H CA -0.564 55.519 56.048 0.059 0.000 1.401 366 H CB 0.706 30.514 29.762 0.076 0.000 1.461 366 H HN 0.698 nan 8.280 nan 0.000 0.588 367 S N 1.044 116.861 115.700 0.196 0.000 2.685 367 S HA 0.738 5.208 4.470 -0.000 0.000 0.282 367 S C 0.104 174.769 174.600 0.109 0.000 1.159 367 S CA -0.368 57.907 58.200 0.125 0.000 0.833 367 S CB 1.930 65.186 63.200 0.093 0.000 1.151 367 S HN 1.220 nan 8.310 nan 0.000 0.485 368 G N 0.911 109.766 108.800 0.091 0.000 2.782 368 G HA2 0.014 3.973 3.960 -0.000 0.000 0.228 368 G HA3 0.014 3.973 3.960 -0.000 0.000 0.228 368 G C -2.904 172.042 174.900 0.075 0.000 1.372 368 G CA -0.410 44.745 45.100 0.092 0.000 0.862 368 G HN 0.883 nan 8.290 nan 0.000 0.547 369 P HA 0.431 nan 4.420 nan 0.000 0.272 369 P C -0.275 176.989 177.300 -0.059 0.000 1.230 369 P CA 0.172 63.264 63.100 -0.013 0.000 0.788 369 P CB 0.791 32.498 31.700 0.013 0.000 0.949 370 T N 1.677 116.137 114.554 -0.156 0.000 2.824 370 T HA 0.509 4.858 4.350 -0.000 0.000 0.282 370 T C -0.492 174.086 174.700 -0.202 0.000 0.993 370 T CA -0.093 61.960 62.100 -0.078 0.000 0.967 370 T CB 0.286 69.148 68.868 -0.009 0.000 0.960 370 T HN 0.120 nan 8.240 nan 0.000 0.441 371 F N 2.753 122.729 119.950 0.042 0.000 2.427 371 F HA 0.586 5.113 4.527 -0.000 0.000 0.346 371 F C 0.324 176.169 175.800 0.074 0.000 1.120 371 F CA -1.059 56.975 58.000 0.058 0.000 1.033 371 F CB 0.992 39.997 39.000 0.008 0.000 1.126 371 F HN 0.282 nan 8.300 nan 0.000 0.462 372 I N 5.315 126.036 120.570 0.252 0.000 2.382 372 I HA 0.330 4.499 4.170 -0.000 0.000 0.286 372 I C -0.903 175.365 176.117 0.252 0.000 1.002 372 I CA -0.687 60.733 61.300 0.201 0.000 1.135 372 I CB 1.466 39.550 38.000 0.140 0.000 1.288 372 I HN 0.346 nan 8.210 nan 0.000 0.448 373 I N 5.621 126.317 120.570 0.209 0.000 2.328 373 I HA 0.361 4.531 4.170 -0.000 0.000 0.287 373 I C 0.952 177.166 176.117 0.161 0.000 1.012 373 I CA -0.105 61.323 61.300 0.213 0.000 1.195 373 I CB 0.785 38.902 38.000 0.195 0.000 1.350 373 I HN 0.589 nan 8.210 nan 0.000 0.464 374 G N 4.794 113.692 108.800 0.163 0.000 2.516 374 G HA2 0.460 4.420 3.960 -0.000 0.000 0.276 374 G HA3 0.460 4.420 3.960 -0.000 0.000 0.276 374 G C 0.059 175.024 174.900 0.108 0.000 1.390 374 G CA -0.188 44.977 45.100 0.109 0.000 1.050 374 G HN 0.656 nan 8.290 nan 0.000 0.519 375 S N -1.986 113.764 115.700 0.084 0.000 2.739 375 S HA 0.360 4.829 4.470 -0.000 0.000 0.306 375 S C 0.144 174.783 174.600 0.066 0.000 1.115 375 S CA -0.562 57.692 58.200 0.089 0.000 0.985 375 S CB 2.027 65.287 63.200 0.100 0.000 1.133 375 S HN 0.337 nan 8.310 nan 0.000 0.541 376 D N 0.737 121.172 120.400 0.059 0.000 2.363 376 D HA 0.209 4.849 4.640 -0.000 0.000 0.226 376 D C 0.986 177.304 176.300 0.030 0.000 1.020 376 D CA 0.514 54.540 54.000 0.043 0.000 0.892 376 D CB -0.453 40.369 40.800 0.036 0.000 0.900 376 D HN 0.631 nan 8.370 nan 0.000 0.531 377 G N -0.122 108.695 108.800 0.028 0.000 2.568 377 G HA2 0.182 4.142 3.960 -0.000 0.000 0.293 377 G HA3 0.182 4.142 3.960 -0.000 0.000 0.293 377 G C -0.004 174.893 174.900 -0.004 0.000 1.347 377 G CA -0.583 44.525 45.100 0.014 0.000 1.039 377 G HN -0.065 nan 8.290 nan 0.000 0.523 378 N N 1.593 120.280 118.700 -0.022 0.000 2.402 378 N HA 0.235 4.975 4.740 -0.000 0.000 0.252 378 N C -0.829 174.619 175.510 -0.104 0.000 1.118 378 N CA 0.025 53.041 53.050 -0.056 0.000 0.945 378 N CB 0.915 39.371 38.487 -0.050 0.000 1.147 378 N HN 0.307 nan 8.380 nan 0.000 0.495 379 D N 1.428 121.738 120.400 -0.150 0.000 2.217 379 D HA 0.366 5.006 4.640 -0.000 0.000 0.248 379 D C 0.137 176.220 176.300 -0.362 0.000 1.008 379 D CA -0.376 53.497 54.000 -0.211 0.000 0.914 379 D CB 1.985 42.685 40.800 -0.167 0.000 1.182 379 D HN 0.201 nan 8.370 nan 0.000 0.451 380 L N 1.991 122.937 121.223 -0.461 0.000 2.298 380 L HA 0.498 4.838 4.340 -0.000 0.000 0.284 380 L C -0.249 176.408 176.870 -0.356 0.000 1.013 380 L CA -0.518 53.852 54.840 -0.785 0.000 0.824 380 L CB 0.937 42.063 42.059 -1.555 0.000 1.221 380 L HN 0.141 nan 8.230 nan 0.000 0.418 381 I N 3.710 124.241 120.570 -0.066 0.000 2.436 381 I HA 0.359 4.529 4.170 -0.000 0.000 0.289 381 I C -0.418 175.912 176.117 0.356 0.000 1.010 381 I CA -0.620 60.754 61.300 0.123 0.000 1.098 381 I CB 2.241 40.246 38.000 0.009 0.000 1.266 381 I HN 0.440 nan 8.210 nan 0.000 0.434 382 K N 5.092 125.656 120.400 0.273 0.000 2.502 382 K HA 0.642 4.962 4.320 -0.000 0.000 0.254 382 K C -0.383 176.260 176.600 0.073 0.000 0.947 382 K CA -0.356 56.000 56.287 0.115 0.000 0.834 382 K CB 1.665 34.151 32.500 -0.024 0.000 1.112 382 K HN 0.671 nan 8.250 nan 0.000 0.427 383 G N 1.862 110.702 108.800 0.067 0.000 2.476 383 G HA2 0.485 4.445 3.960 -0.000 0.000 0.269 383 G HA3 0.485 4.445 3.960 -0.000 0.000 0.269 383 G C -0.020 174.884 174.900 0.007 0.000 1.195 383 G CA -0.535 44.588 45.100 0.040 0.000 0.843 383 G HN 0.716 nan 8.290 nan 0.000 0.545 384 G N -0.596 108.209 108.800 0.008 0.000 2.510 384 G HA2 0.311 4.271 3.960 -0.000 0.000 0.280 384 G HA3 0.311 4.271 3.960 -0.000 0.000 0.280 384 G C 0.832 175.727 174.900 -0.009 0.000 1.386 384 G CA -0.594 44.508 45.100 0.004 0.000 1.047 384 G HN 0.526 nan 8.290 nan 0.000 0.527 385 K N -0.384 120.013 120.400 -0.004 0.000 2.365 385 K HA 0.039 4.359 4.320 -0.000 0.000 0.199 385 K C 1.590 178.187 176.600 -0.005 0.000 1.045 385 K CA 0.497 56.778 56.287 -0.009 0.000 0.962 385 K CB 0.067 32.565 32.500 -0.003 0.000 0.759 385 K HN 0.393 nan 8.250 nan 0.000 0.469 386 G N 1.085 109.887 108.800 0.004 0.000 2.531 386 G HA2 0.071 4.031 3.960 -0.000 0.000 0.253 386 G HA3 0.071 4.031 3.960 -0.000 0.000 0.253 386 G C -0.370 174.518 174.900 -0.021 0.000 1.439 386 G CA -0.643 44.464 45.100 0.012 0.000 1.056 386 G HN 0.074 nan 8.290 nan 0.000 0.555 387 N N 0.933 119.615 118.700 -0.030 0.000 2.444 387 N HA 0.367 5.107 4.740 -0.000 0.000 0.271 387 N C -1.311 174.051 175.510 -0.247 0.000 1.069 387 N CA 0.004 52.984 53.050 -0.117 0.000 0.965 387 N CB 1.548 39.990 38.487 -0.075 0.000 1.092 387 N HN 0.356 nan 8.380 nan 0.000 0.476 388 D N 0.580 120.753 120.400 -0.378 0.000 2.575 388 D HA 0.337 4.977 4.640 -0.000 0.000 0.236 388 D C -0.986 174.880 176.300 -0.722 0.000 1.075 388 D CA -0.333 53.425 54.000 -0.403 0.000 0.860 388 D CB 1.258 41.948 40.800 -0.183 0.000 1.475 388 D HN 0.343 nan 8.370 nan 0.000 0.474 389 Y N 1.182 121.156 120.300 -0.543 0.000 2.388 389 Y HA 0.436 4.986 4.550 -0.000 0.000 0.328 389 Y C -0.594 175.110 175.900 -0.326 0.000 0.963 389 Y CA -0.850 56.779 58.100 -0.784 0.000 1.240 389 Y CB 0.908 38.536 38.460 -1.386 0.000 1.118 389 Y HN 0.087 nan 8.280 nan 0.000 0.484 390 L N 3.546 124.799 121.223 0.051 0.000 2.313 390 L HA 0.549 4.889 4.340 -0.000 0.000 0.283 390 L C -0.334 176.837 176.870 0.502 0.000 1.013 390 L CA -0.658 54.361 54.840 0.299 0.000 0.816 390 L CB 2.016 44.243 42.059 0.281 0.000 1.236 390 L HN 0.561 nan 8.230 nan 0.000 0.419 391 E N 1.555 122.080 120.200 0.542 0.000 2.182 391 E HA 0.334 4.684 4.350 -0.000 0.000 0.258 391 E C 0.522 177.362 176.600 0.400 0.000 0.879 391 E CA -0.310 56.355 56.400 0.442 0.000 0.754 391 E CB 1.843 31.753 29.700 0.349 0.000 1.162 391 E HN 0.767 nan 8.360 nan 0.000 0.419 392 G N 3.804 112.886 108.800 0.470 0.000 2.494 392 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.216 392 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.216 392 G C 0.523 175.531 174.900 0.180 0.000 1.140 392 G CA 0.250 45.561 45.100 0.351 0.000 0.801 392 G HN 0.693 nan 8.290 nan 0.000 0.536 393 R N -0.564 120.031 120.500 0.158 0.000 3.819 393 R HA -0.153 4.187 4.340 -0.000 0.000 0.488 393 R C -0.657 175.694 176.300 0.084 0.000 0.241 393 R CA 0.846 57.005 56.100 0.099 0.000 1.530 393 R CB -1.310 29.043 30.300 0.088 0.000 1.019 393 R HN 0.288 nan 8.270 nan 0.000 0.557 394 D N 0.307 120.745 120.400 0.062 0.000 2.354 394 D HA 0.410 5.050 4.640 -0.000 0.000 0.238 394 D C 0.827 177.155 176.300 0.047 0.000 1.250 394 D CA 1.628 55.659 54.000 0.052 0.000 0.911 394 D CB 0.113 40.937 40.800 0.040 0.000 1.163 394 D HN 0.808 nan 8.370 nan 0.000 0.456 395 G N 0.260 109.085 108.800 0.042 0.000 2.699 395 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.686 395 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.686 395 G C -1.245 173.678 174.900 0.038 0.000 1.301 395 G CA -0.833 44.285 45.100 0.031 0.000 0.816 395 G HN 0.436 nan 8.290 nan 0.000 0.595 396 D N 1.789 122.209 120.400 0.034 0.000 2.365 396 D HA 0.418 5.058 4.640 -0.000 0.000 0.237 396 D C 0.028 176.319 176.300 -0.015 0.000 1.190 396 D CA 0.203 54.235 54.000 0.052 0.000 0.867 396 D CB 0.789 41.642 40.800 0.089 0.000 1.050 396 D HN 0.355 nan 8.370 nan 0.000 0.491 397 D N 1.720 122.093 120.400 -0.045 0.000 2.198 397 D HA 0.424 5.064 4.640 -0.000 0.000 0.247 397 D C 0.468 176.609 176.300 -0.265 0.000 1.010 397 D CA -0.425 53.443 54.000 -0.220 0.000 0.880 397 D CB 2.118 42.737 40.800 -0.301 0.000 1.209 397 D HN 0.231 nan 8.370 nan 0.000 0.451 398 I N 1.348 121.689 120.570 -0.381 0.000 2.433 398 I HA 0.340 4.510 4.170 -0.000 0.000 0.292 398 I C -0.681 175.255 176.117 -0.302 0.000 1.001 398 I CA -0.766 60.410 61.300 -0.207 0.000 1.119 398 I CB 1.036 38.996 38.000 -0.067 0.000 1.289 398 I HN 0.066 nan 8.210 nan 0.000 0.438 399 F N 4.739 124.745 119.950 0.094 0.000 2.480 399 F HA 0.646 5.173 4.527 -0.000 0.000 0.329 399 F C 0.357 175.995 175.800 -0.270 0.000 1.091 399 F CA -0.605 57.428 58.000 0.054 0.000 0.972 399 F CB 1.561 40.648 39.000 0.146 0.000 1.150 399 F HN 0.279 nan 8.300 nan 0.000 0.467 400 R N 0.938 121.411 120.500 -0.046 0.000 2.854 400 R HA 0.518 4.858 4.340 -0.000 0.000 0.271 400 R C -1.784 174.432 176.300 -0.140 0.000 0.994 400 R CA -1.073 54.808 56.100 -0.364 0.000 0.945 400 R CB 2.539 32.543 30.300 -0.493 0.000 1.194 400 R HN 0.639 nan 8.270 nan 0.000 0.476 401 D N -0.051 120.286 120.400 -0.105 0.000 2.937 401 D HA 0.202 4.841 4.640 -0.000 0.000 0.215 401 D C -0.564 175.739 176.300 0.004 0.000 1.274 401 D CA -0.290 53.728 54.000 0.029 0.000 0.869 401 D CB 2.296 43.191 40.800 0.159 0.000 1.675 401 D HN 0.595 nan 8.370 nan 0.000 0.538 402 A N 1.870 124.675 122.820 -0.025 0.000 2.178 402 A HA 0.568 4.888 4.320 -0.000 0.000 0.211 402 A C 0.999 178.565 177.584 -0.030 0.000 1.157 402 A CA 1.304 53.319 52.037 -0.037 0.000 0.780 402 A CB 0.075 19.049 19.000 -0.044 0.000 0.828 402 A HN 0.771 nan 8.150 nan 0.000 0.476 403 G N -3.713 105.067 108.800 -0.033 0.000 2.343 403 G HA2 0.541 4.501 3.960 -0.000 0.000 0.289 403 G HA3 0.541 4.501 3.960 -0.000 0.000 0.289 403 G C 0.340 175.182 174.900 -0.098 0.000 1.295 403 G CA 0.247 45.309 45.100 -0.065 0.000 0.869 403 G HN 1.974 nan 8.290 nan 0.000 0.522 404 G N -1.508 107.202 108.800 -0.150 0.000 2.593 404 G HA2 0.174 4.134 3.960 -0.000 0.000 0.237 404 G HA3 0.174 4.134 3.960 -0.000 0.000 0.237 404 G C -0.623 174.061 174.900 -0.360 0.000 1.312 404 G CA 0.227 45.238 45.100 -0.148 0.000 0.896 404 G HN 1.601 nan 8.290 nan 0.000 0.574 405 Y N 1.902 122.148 120.300 -0.091 0.000 2.328 405 Y HA 0.615 5.165 4.550 -0.000 0.000 0.337 405 Y C 0.680 176.441 175.900 -0.232 0.000 0.966 405 Y CA -0.792 57.237 58.100 -0.119 0.000 1.136 405 Y CB 1.850 40.263 38.460 -0.079 0.000 1.170 405 Y HN 0.600 nan 8.280 nan 0.000 0.470 406 N N 3.795 122.401 118.700 -0.158 0.000 2.284 406 N HA 0.572 5.312 4.740 -0.000 0.000 0.289 406 N C -1.684 173.633 175.510 -0.322 0.000 1.179 406 N CA -0.787 52.070 53.050 -0.322 0.000 0.774 406 N CB 2.795 41.142 38.487 -0.233 0.000 1.548 406 N HN 0.455 nan 8.380 nan 0.000 0.473 407 L N 1.660 122.620 121.223 -0.439 0.000 2.341 407 L HA 0.626 4.966 4.340 -0.000 0.000 0.278 407 L C -0.538 176.265 176.870 -0.112 0.000 1.005 407 L CA -0.702 54.013 54.840 -0.209 0.000 0.818 407 L CB 1.786 43.827 42.059 -0.030 0.000 1.259 407 L HN 0.369 nan 8.230 nan 0.000 0.418 408 I N 2.491 123.019 120.570 -0.071 0.000 2.466 408 I HA 0.523 4.693 4.170 -0.000 0.000 0.289 408 I C -0.235 175.833 176.117 -0.080 0.000 1.026 408 I CA -0.537 60.672 61.300 -0.152 0.000 1.078 408 I CB 2.190 39.937 38.000 -0.422 0.000 1.249 408 I HN 0.627 nan 8.210 nan 0.000 0.429 409 A N 4.096 126.924 122.820 0.015 0.000 2.328 409 A HA 0.600 4.920 4.320 -0.000 0.000 0.318 409 A C 0.946 178.543 177.584 0.022 0.000 1.347 409 A CA -0.383 51.651 52.037 -0.006 0.000 0.842 409 A CB 0.774 19.739 19.000 -0.057 0.000 1.148 409 A HN 0.952 nan 8.150 nan 0.000 0.499 410 G N 1.556 110.363 108.800 0.012 0.000 2.443 410 G HA2 0.384 4.344 3.960 -0.000 0.000 0.219 410 G HA3 0.384 4.344 3.960 -0.000 0.000 0.219 410 G C 1.155 176.175 174.900 0.200 0.000 1.131 410 G CA 0.856 46.084 45.100 0.214 0.000 0.775 410 G HN 2.140 nan 8.290 nan 0.000 0.547 411 G N -0.147 108.713 108.800 0.101 0.000 2.645 411 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.246 411 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.246 411 G C 0.054 174.996 174.900 0.071 0.000 1.322 411 G CA 0.007 45.152 45.100 0.075 0.000 0.898 411 G HN 0.612 nan 8.290 nan 0.000 0.573 412 K N 0.645 121.081 120.400 0.060 0.000 2.234 412 K HA 0.487 4.807 4.320 -0.000 0.000 0.251 412 K C 0.969 177.612 176.600 0.072 0.000 1.011 412 K CA 0.895 57.217 56.287 0.058 0.000 0.889 412 K CB 0.059 32.586 32.500 0.046 0.000 1.011 412 K HN 2.348 nan 8.250 nan 0.000 0.505 413 G N 0.289 109.133 108.800 0.073 0.000 2.685 413 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.387 413 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.387 413 G C -1.178 173.796 174.900 0.123 0.000 1.324 413 G CA -0.674 44.482 45.100 0.093 0.000 0.878 413 G HN 0.812 nan 8.290 nan 0.000 0.527 414 H N 2.014 121.112 119.070 0.046 0.000 2.820 414 H HA 0.344 4.900 4.556 -0.000 0.000 0.278 414 H C -0.160 175.210 175.328 0.070 0.000 1.142 414 H CA -0.267 55.812 56.048 0.052 0.000 1.346 414 H CB -0.245 29.538 29.762 0.035 0.000 1.438 414 H HN 0.472 nan 8.280 nan 0.000 0.473 415 N N 5.983 124.577 118.700 -0.177 0.000 2.417 415 N HA 0.338 5.078 4.740 -0.000 0.000 0.300 415 N C -0.244 175.222 175.510 -0.073 0.000 1.102 415 N CA -0.535 52.502 53.050 -0.022 0.000 0.886 415 N CB 2.443 41.043 38.487 0.189 0.000 1.203 415 N HN 0.528 nan 8.380 nan 0.000 0.496 416 I N 1.031 121.651 120.570 0.083 0.000 2.509 416 I HA 0.353 4.523 4.170 -0.000 0.000 0.293 416 I C -0.972 175.327 176.117 0.304 0.000 1.020 416 I CA -0.867 60.507 61.300 0.124 0.000 1.088 416 I CB 1.908 39.962 38.000 0.090 0.000 1.267 416 I HN 0.344 nan 8.210 nan 0.000 0.430 417 F N 5.222 125.261 119.950 0.148 0.000 2.411 417 F HA 0.377 4.904 4.527 -0.000 0.000 0.352 417 F C -0.302 175.570 175.800 0.119 0.000 1.123 417 F CA -0.392 57.707 58.000 0.165 0.000 1.044 417 F CB 0.938 39.983 39.000 0.075 0.000 1.135 417 F HN 0.352 nan 8.300 nan 0.000 0.461 418 D N 3.815 123.964 120.400 -0.418 0.000 2.392 418 D HA 0.129 4.768 4.640 -0.000 0.000 0.228 418 D C 0.977 177.061 176.300 -0.361 0.000 1.074 418 D CA -0.167 53.696 54.000 -0.229 0.000 0.838 418 D CB 1.538 42.262 40.800 -0.127 0.000 1.067 418 D HN 0.659 nan 8.370 nan 0.000 0.511 419 T N 0.757 115.288 114.554 -0.039 0.000 3.055 419 T HA -0.097 4.253 4.350 -0.000 0.000 0.265 419 T C 0.959 175.643 174.700 -0.027 0.000 1.111 419 T CA 0.529 62.666 62.100 0.061 0.000 1.118 419 T CB -0.283 68.680 68.868 0.158 0.000 0.909 419 T HN 0.620 nan 8.240 nan 0.000 0.501 420 Q N 0.758 120.522 119.800 -0.059 0.000 2.439 420 Q HA -0.239 4.100 4.340 -0.000 0.000 0.247 420 Q C 0.070 176.046 176.000 -0.040 0.000 0.899 420 Q CA 1.305 57.066 55.803 -0.070 0.000 1.201 420 Q CB -1.666 26.998 28.738 -0.123 0.000 1.608 420 Q HN 0.997 nan 8.270 nan 0.000 0.563 421 Q N -2.271 117.523 119.800 -0.010 0.000 2.814 421 Q HA 0.779 5.119 4.340 -0.000 0.000 0.322 421 Q C -1.196 174.810 176.000 0.010 0.000 0.861 421 Q CA -0.474 55.325 55.803 -0.007 0.000 0.773 421 Q CB 0.834 29.567 28.738 -0.009 0.000 1.423 421 Q HN 0.156 nan 8.270 nan 0.000 0.495 422 A N 0.858 123.680 122.820 0.004 0.000 2.511 422 A HA 0.183 4.503 4.320 -0.000 0.000 0.242 422 A C 0.694 178.285 177.584 0.012 0.000 1.069 422 A CA -0.278 51.764 52.037 0.009 0.000 0.763 422 A CB 0.039 19.038 19.000 -0.001 0.000 1.001 422 A HN 0.728 nan 8.150 nan 0.000 0.498 423 L N 2.678 123.908 121.223 0.012 0.000 2.127 423 L HA -0.187 4.153 4.340 -0.000 0.000 0.211 423 L C 2.456 179.314 176.870 -0.020 0.000 1.089 423 L CA 2.660 57.484 54.840 -0.027 0.000 0.757 423 L CB -0.538 41.456 42.059 -0.108 0.000 0.899 423 L HN 0.889 nan 8.230 nan 0.000 0.434 424 K N -1.866 118.529 120.400 -0.009 0.000 2.442 424 K HA -0.103 4.217 4.320 -0.000 0.000 0.198 424 K C 1.288 177.891 176.600 0.005 0.000 1.044 424 K CA 1.483 57.768 56.287 -0.003 0.000 0.948 424 K CB -0.435 32.064 32.500 -0.003 0.000 0.762 424 K HN 0.267 nan 8.250 nan 0.000 0.472 425 N N 0.336 119.040 118.700 0.006 0.000 2.398 425 N HA 0.009 4.749 4.740 -0.000 0.000 0.188 425 N C -0.617 174.903 175.510 0.016 0.000 1.122 425 N CA 0.512 53.567 53.050 0.009 0.000 0.866 425 N CB 0.694 39.184 38.487 0.005 0.000 0.970 425 N HN 0.170 nan 8.380 nan 0.000 0.462 426 T N 0.668 115.235 114.554 0.022 0.000 2.848 426 T HA 0.294 4.644 4.350 -0.000 0.000 0.285 426 T C -0.326 174.408 174.700 0.056 0.000 0.995 426 T CA -0.678 61.442 62.100 0.034 0.000 0.970 426 T CB 2.139 71.026 68.868 0.031 0.000 0.976 426 T HN -0.030 nan 8.240 nan 0.000 0.441 427 E N 1.826 122.088 120.200 0.103 0.000 2.259 427 E HA 0.446 4.796 4.350 -0.000 0.000 0.281 427 E C -0.768 175.938 176.600 0.176 0.000 1.037 427 E CA -0.540 55.972 56.400 0.187 0.000 0.854 427 E CB 1.081 30.956 29.700 0.292 0.000 1.051 427 E HN 0.234 nan 8.360 nan 0.000 0.409 428 V N 2.427 122.414 119.914 0.121 0.000 2.444 428 V HA 0.678 4.798 4.120 -0.000 0.000 0.294 428 V C -0.199 175.862 176.094 -0.056 0.000 1.022 428 V CA -0.566 61.739 62.300 0.008 0.000 0.850 428 V CB 1.347 33.185 31.823 0.026 0.000 0.992 428 V HN 0.800 nan 8.190 nan 0.000 0.426 429 A N 4.044 126.634 122.820 -0.384 0.000 2.532 429 A HA 0.958 5.278 4.320 -0.000 0.000 0.290 429 A C -2.007 175.188 177.584 -0.649 0.000 1.143 429 A CA -0.660 51.023 52.037 -0.589 0.000 0.728 429 A CB 2.116 20.513 19.000 -1.005 0.000 1.317 429 A HN 0.903 nan 8.150 nan 0.000 0.414 430 Y N 0.984 120.628 120.300 -1.093 0.000 2.362 430 Y HA 0.392 4.942 4.550 -0.000 0.000 0.326 430 Y C -0.224 175.153 175.900 -0.872 0.000 1.083 430 Y CA -1.186 56.343 58.100 -0.952 0.000 1.073 430 Y CB 1.865 39.627 38.460 -1.164 0.000 1.211 430 Y HN 0.786 nan 8.280 nan 0.000 0.433 431 D N 2.252 121.929 120.400 -1.205 0.000 2.328 431 D HA 0.243 4.883 4.640 -0.000 0.000 0.226 431 D C 1.548 177.392 176.300 -0.761 0.000 1.066 431 D CA 0.855 54.216 54.000 -1.065 0.000 0.861 431 D CB 0.228 40.425 40.800 -1.005 0.000 0.912 431 D HN 0.976 nan 8.370 nan 0.000 0.521 432 G N 0.284 108.360 108.800 -1.207 0.000 2.232 432 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.226 432 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.226 432 G C 0.838 175.281 174.900 -0.762 0.000 0.996 432 G CA 0.280 44.892 45.100 -0.813 0.000 0.626 432 G HN 0.519 nan 8.290 nan 0.000 0.509 433 N N -0.999 117.204 118.700 -0.830 0.000 2.428 433 N HA 0.059 4.799 4.740 -0.000 0.000 0.249 433 N C -0.233 175.087 175.510 -0.316 0.000 1.092 433 N CA 0.951 53.768 53.050 -0.388 0.000 0.833 433 N CB 0.836 39.192 38.487 -0.218 0.000 1.575 433 N HN 0.251 nan 8.380 nan 0.000 0.476 434 T N 1.957 116.246 114.554 -0.441 0.000 2.824 434 T HA 0.410 4.760 4.350 -0.000 0.000 0.280 434 T C -0.692 173.812 174.700 -0.327 0.000 0.995 434 T CA -0.412 61.475 62.100 -0.354 0.000 1.009 434 T CB 2.268 70.871 68.868 -0.441 0.000 0.955 434 T HN 0.079 nan 8.240 nan 0.000 0.452 435 L N 4.171 125.264 121.223 -0.216 0.000 2.276 435 L HA 0.469 4.809 4.340 -0.000 0.000 0.286 435 L C -1.432 175.172 176.870 -0.444 0.000 1.061 435 L CA -0.466 54.282 54.840 -0.154 0.000 0.807 435 L CB 0.063 42.038 42.059 -0.139 0.000 1.177 435 L HN 0.598 nan 8.230 nan 0.000 0.429 436 Y N 5.779 125.831 120.300 -0.414 0.000 2.331 436 Y HA 0.617 5.167 4.550 -0.000 0.000 0.338 436 Y C -0.517 175.155 175.900 -0.380 0.000 0.992 436 Y CA -0.642 57.195 58.100 -0.437 0.000 1.121 436 Y CB 1.313 39.340 38.460 -0.721 0.000 1.184 436 Y HN 0.376 nan 8.280 nan 0.000 0.469 437 L N 4.763 125.910 121.223 -0.128 0.000 2.376 437 L HA 0.601 4.940 4.340 -0.000 0.000 0.275 437 L C -0.522 176.371 176.870 0.039 0.000 0.987 437 L CA -0.827 53.962 54.840 -0.085 0.000 0.828 437 L CB 2.140 44.044 42.059 -0.258 0.000 1.249 437 L HN 0.542 nan 8.230 nan 0.000 0.409 438 R N 2.283 122.872 120.500 0.148 0.000 2.393 438 R HA 0.342 4.682 4.340 -0.000 0.000 0.315 438 R C -0.988 175.334 176.300 0.036 0.000 0.952 438 R CA -0.584 55.583 56.100 0.113 0.000 0.842 438 R CB 1.482 31.903 30.300 0.203 0.000 1.163 438 R HN 0.756 nan 8.270 nan 0.000 0.450 439 D N 3.598 123.980 120.400 -0.030 0.000 2.433 439 D HA 0.120 4.760 4.640 -0.000 0.000 0.255 439 D C 0.893 177.177 176.300 -0.027 0.000 1.226 439 D CA -0.272 53.712 54.000 -0.027 0.000 1.015 439 D CB 0.706 41.478 40.800 -0.048 0.000 1.091 439 D HN 0.431 nan 8.370 nan 0.000 0.527 440 A N -0.380 122.427 122.820 -0.021 0.000 2.067 440 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 440 A C 1.673 179.242 177.584 -0.025 0.000 1.158 440 A CA 1.004 53.030 52.037 -0.018 0.000 0.661 440 A CB -0.584 18.409 19.000 -0.012 0.000 0.801 440 A HN 0.558 nan 8.150 nan 0.000 0.452 441 K N -1.461 118.917 120.400 -0.037 0.000 2.404 441 K HA 0.269 4.588 4.320 -0.000 0.000 0.194 441 K C 1.044 177.620 176.600 -0.040 0.000 1.023 441 K CA 0.451 56.718 56.287 -0.034 0.000 1.094 441 K CB 0.144 32.623 32.500 -0.035 0.000 0.841 441 K HN 0.582 nan 8.250 nan 0.000 0.523 442 G N 1.161 109.926 108.800 -0.059 0.000 2.194 442 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.236 442 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.236 442 G C 0.425 175.224 174.900 -0.170 0.000 0.987 442 G CA -0.290 44.777 45.100 -0.054 0.000 0.635 442 G HN 0.465 nan 8.290 nan 0.000 0.520 443 G N 0.036 108.630 108.800 -0.342 0.000 2.398 443 G HA2 0.498 4.458 3.960 -0.000 0.000 0.246 443 G HA3 0.498 4.458 3.960 -0.000 0.000 0.246 443 G C -0.018 174.591 174.900 -0.486 0.000 1.289 443 G CA 0.010 44.642 45.100 -0.781 0.000 0.869 443 G HN 0.688 nan 8.290 nan 0.000 0.543 444 I N 1.169 121.421 120.570 -0.531 0.000 2.433 444 I HA 0.309 4.479 4.170 -0.000 0.000 0.292 444 I C 0.009 176.065 176.117 -0.100 0.000 1.001 444 I CA -0.482 60.763 61.300 -0.091 0.000 1.119 444 I CB 2.475 40.574 38.000 0.166 0.000 1.289 444 I HN 0.289 nan 8.210 nan 0.000 0.438 445 T N 6.762 121.242 114.554 -0.124 0.000 2.807 445 T HA 0.586 4.936 4.350 -0.000 0.000 0.279 445 T C -0.594 173.937 174.700 -0.281 0.000 0.993 445 T CA -0.458 61.511 62.100 -0.218 0.000 0.970 445 T CB 1.303 69.975 68.868 -0.326 0.000 0.950 445 T HN 0.092 nan 8.240 nan 0.000 0.441 446 L N 3.008 124.047 121.223 -0.306 0.000 2.305 446 L HA 0.770 5.110 4.340 -0.000 0.000 0.284 446 L C -0.046 176.603 176.870 -0.368 0.000 1.013 446 L CA -0.459 54.108 54.840 -0.454 0.000 0.819 446 L CB 1.320 43.143 42.059 -0.394 0.000 1.227 446 L HN 0.819 nan 8.230 nan 0.000 0.417 447 A N 2.390 124.966 122.820 -0.407 0.000 2.353 447 A HA 0.715 5.035 4.320 -0.000 0.000 0.299 447 A C -1.118 176.333 177.584 -0.222 0.000 1.089 447 A CA -0.670 51.183 52.037 -0.307 0.000 0.736 447 A CB 0.658 19.442 19.000 -0.360 0.000 1.195 447 A HN 0.552 nan 8.150 nan 0.000 0.447 448 D N 1.384 121.691 120.400 -0.155 0.000 2.225 448 D HA 0.411 5.051 4.640 -0.000 0.000 0.249 448 D C -0.308 175.966 176.300 -0.044 0.000 1.052 448 D CA 0.418 54.364 54.000 -0.090 0.000 0.909 448 D CB 0.979 41.738 40.800 -0.069 0.000 1.186 448 D HN 0.562 nan 8.370 nan 0.000 0.431 449 D N 0.687 121.086 120.400 -0.002 0.000 2.723 449 D HA -0.155 4.485 4.640 -0.000 0.000 0.236 449 D C -0.372 175.943 176.300 0.025 0.000 1.138 449 D CA 0.555 54.570 54.000 0.024 0.000 0.676 449 D CB -0.520 40.298 40.800 0.031 0.000 1.069 449 D HN 0.240 nan 8.370 nan 0.000 0.430 450 I N 0.726 121.301 120.570 0.008 0.000 2.304 450 I HA 0.071 4.241 4.170 -0.000 0.000 0.291 450 I C 1.643 177.730 176.117 -0.050 0.000 1.018 450 I CA -0.063 61.236 61.300 -0.002 0.000 1.260 450 I CB 1.481 39.483 38.000 0.004 0.000 1.390 450 I HN -0.232 nan 8.210 nan 0.000 0.475 451 S N 3.673 119.309 115.700 -0.107 0.000 2.478 451 S HA 0.073 4.543 4.470 -0.000 0.000 0.222 451 S C 0.699 175.255 174.600 -0.073 0.000 1.008 451 S CA 0.536 58.672 58.200 -0.107 0.000 0.928 451 S CB 0.327 63.435 63.200 -0.154 0.000 0.781 451 S HN 0.743 nan 8.310 nan 0.000 0.518 452 T N 1.965 116.473 114.554 -0.077 0.000 2.991 452 T HA 0.484 4.834 4.350 -0.000 0.000 0.303 452 T C -1.503 173.249 174.700 0.087 0.000 1.015 452 T CA -0.481 61.635 62.100 0.026 0.000 1.007 452 T CB 2.089 70.996 68.868 0.065 0.000 1.034 452 T HN 0.006 nan 8.240 nan 0.000 0.446 453 L N 3.684 124.987 121.223 0.133 0.000 2.265 453 L HA 0.630 4.970 4.340 -0.000 0.000 0.289 453 L C 0.066 177.097 176.870 0.268 0.000 1.033 453 L CA -0.479 54.475 54.840 0.191 0.000 0.814 453 L CB 0.749 42.881 42.059 0.121 0.000 1.203 453 L HN 0.573 nan 8.230 nan 0.000 0.423 454 R N 3.388 124.022 120.500 0.225 0.000 2.294 454 R HA 0.717 5.057 4.340 -0.000 0.000 0.319 454 R C -0.672 175.733 176.300 0.176 0.000 0.984 454 R CA -0.146 56.065 56.100 0.185 0.000 0.861 454 R CB 1.001 31.366 30.300 0.108 0.000 1.104 454 R HN 0.864 nan 8.270 nan 0.000 0.451 455 S N 2.781 118.600 115.700 0.198 0.000 2.677 455 S HA 0.452 4.922 4.470 -0.000 0.000 0.304 455 S C -0.927 173.718 174.600 0.075 0.000 1.108 455 S CA -0.999 57.286 58.200 0.141 0.000 0.944 455 S CB 1.827 65.139 63.200 0.188 0.000 1.127 455 S HN 0.624 nan 8.310 nan 0.000 0.511 456 K N 0.871 121.291 120.400 0.034 0.000 2.425 456 K HA 0.396 4.716 4.320 -0.000 0.000 0.259 456 K C -0.913 175.680 176.600 -0.013 0.000 0.978 456 K CA -0.363 55.920 56.287 -0.007 0.000 0.883 456 K CB 0.755 33.236 32.500 -0.032 0.000 1.110 456 K HN 0.658 nan 8.250 nan 0.000 0.436 457 E N 1.771 121.955 120.200 -0.026 0.000 2.243 457 E HA 0.406 4.756 4.350 -0.000 0.000 0.260 457 E C -0.719 175.841 176.600 -0.066 0.000 0.985 457 E CA -0.830 55.550 56.400 -0.032 0.000 0.858 457 E CB 2.025 31.714 29.700 -0.018 0.000 1.210 457 E HN 0.534 nan 8.360 nan 0.000 0.411 458 T N 0.523 115.038 114.554 -0.065 0.000 2.881 458 T HA 0.424 4.774 4.350 -0.000 0.000 0.290 458 T C -0.484 174.148 174.700 -0.113 0.000 1.000 458 T CA -0.641 61.420 62.100 -0.064 0.000 0.978 458 T CB 1.315 70.164 68.868 -0.032 0.000 0.997 458 T HN 0.197 nan 8.240 nan 0.000 0.443 459 S N 2.155 117.769 115.700 -0.144 0.000 2.537 459 S HA 0.454 4.924 4.470 -0.000 0.000 0.301 459 S C -0.194 174.241 174.600 -0.275 0.000 1.092 459 S CA -0.803 57.069 58.200 -0.547 0.000 1.048 459 S CB 0.467 62.921 63.200 -1.244 0.000 1.053 459 S HN 0.866 nan 8.310 nan 0.000 0.501 460 W N 3.024 124.372 121.300 0.081 0.000 6.170 460 W HA -0.269 4.391 4.660 -0.000 0.000 0.394 460 W C 0.476 177.036 176.519 0.068 0.000 1.480 460 W CA 0.324 57.704 57.345 0.058 0.000 1.027 460 W CB -2.723 26.760 29.460 0.038 0.000 2.638 460 W HN 0.807 nan 8.180 nan 0.000 1.547 461 L N -3.071 118.240 121.223 0.147 0.000 3.015 461 L HA -0.387 3.953 4.340 -0.000 0.000 0.389 461 L C 1.720 178.660 176.870 0.116 0.000 0.737 461 L CA 2.509 57.414 54.840 0.109 0.000 3.213 461 L CB -1.839 40.287 42.059 0.112 0.000 0.600 461 L HN 0.287 nan 8.230 nan 0.000 0.774 462 I N -3.929 116.755 120.570 0.189 0.000 4.139 462 I HA 0.231 4.401 4.170 -0.000 0.000 0.335 462 I C 0.598 176.848 176.117 0.222 0.000 1.327 462 I CA -0.172 61.230 61.300 0.169 0.000 1.112 462 I CB 0.575 38.670 38.000 0.159 0.000 1.058 462 I HN 0.092 nan 8.210 nan 0.000 0.396 463 F N 4.330 124.367 119.950 0.144 0.000 2.350 463 F HA 0.503 5.030 4.527 -0.000 0.000 0.365 463 F C -0.183 175.648 175.800 0.051 0.000 1.122 463 F CA -0.738 57.349 58.000 0.145 0.000 1.139 463 F CB 0.328 39.521 39.000 0.321 0.000 1.220 463 F HN -0.002 nan 8.300 nan 0.000 0.499 464 N N 6.202 124.607 118.700 -0.493 0.000 2.498 464 N HA 0.351 5.091 4.740 -0.000 0.000 0.287 464 N C -1.126 174.012 175.510 -0.621 0.000 1.097 464 N CA -0.475 52.330 53.050 -0.408 0.000 0.973 464 N CB 1.686 40.035 38.487 -0.230 0.000 1.153 464 N HN 0.642 nan 8.380 nan 0.000 0.472 465 K N -0.307 119.892 120.400 -0.334 0.000 2.527 465 K HA 0.407 4.726 4.320 -0.000 0.000 0.260 465 K C -1.040 175.499 176.600 -0.102 0.000 0.937 465 K CA -0.900 55.252 56.287 -0.225 0.000 0.826 465 K CB 1.896 34.337 32.500 -0.098 0.000 1.359 465 K HN 0.142 nan 8.250 nan 0.000 0.434 466 E N 1.571 121.733 120.200 -0.064 0.000 2.313 466 E HA 0.263 4.613 4.350 -0.000 0.000 0.276 466 E C -0.590 175.992 176.600 -0.029 0.000 1.031 466 E CA -0.670 55.713 56.400 -0.028 0.000 0.857 466 E CB 1.796 31.490 29.700 -0.011 0.000 1.040 466 E HN 0.378 nan 8.360 nan 0.000 0.408 467 V N 3.256 123.153 119.914 -0.030 0.000 2.525 467 V HA 0.170 4.290 4.120 -0.000 0.000 0.299 467 V C -0.570 175.404 176.094 -0.201 0.000 1.034 467 V CA -0.970 61.258 62.300 -0.120 0.000 0.863 467 V CB 2.047 33.795 31.823 -0.125 0.000 0.999 467 V HN 0.482 nan 8.190 nan 0.000 0.423 468 D N 3.012 123.273 120.400 -0.231 0.000 2.198 468 D HA 0.440 5.080 4.640 -0.000 0.000 0.245 468 D C -0.345 175.753 176.300 -0.338 0.000 1.079 468 D CA -0.100 53.805 54.000 -0.158 0.000 0.854 468 D CB 0.824 41.605 40.800 -0.031 0.000 1.148 468 D HN 0.556 nan 8.370 nan 0.000 0.456 469 H N 1.186 120.273 119.070 0.029 0.000 2.646 469 H HA 0.185 4.741 4.556 -0.000 0.000 0.328 469 H C -0.176 175.155 175.328 0.005 0.000 0.998 469 H CA -0.544 55.510 56.048 0.010 0.000 1.225 469 H CB 1.656 31.419 29.762 0.003 0.000 1.457 469 H HN 0.337 nan 8.280 nan 0.000 0.505 470 Q N 2.923 122.775 119.800 0.087 0.000 2.297 470 Q HA 0.147 4.487 4.340 -0.000 0.000 0.267 470 Q C -0.607 175.395 176.000 0.003 0.000 1.006 470 Q CA -0.458 55.373 55.803 0.047 0.000 0.896 470 Q CB 0.742 29.500 28.738 0.035 0.000 1.186 470 Q HN 0.411 nan 8.270 nan 0.000 0.392 471 V N 5.316 125.199 119.914 -0.051 0.000 2.405 471 V HA 0.213 4.333 4.120 -0.000 0.000 0.264 471 V C 0.457 176.432 176.094 -0.198 0.000 1.048 471 V CA 0.004 62.193 62.300 -0.185 0.000 0.966 471 V CB 0.369 31.995 31.823 -0.329 0.000 1.015 471 V HN 0.929 nan 8.190 nan 0.000 0.477 472 T N 1.854 116.334 114.554 -0.123 0.000 2.916 472 T HA 0.674 5.024 4.350 -0.000 0.000 0.292 472 T C 1.056 175.868 174.700 0.186 0.000 1.064 472 T CA -0.070 62.032 62.100 0.003 0.000 1.011 472 T CB 2.113 70.991 68.868 0.017 0.000 1.152 472 T HN 0.547 nan 8.240 nan 0.000 0.510 473 A N 0.869 123.850 122.820 0.268 0.000 2.024 473 A HA 0.233 4.553 4.320 -0.000 0.000 0.220 473 A C 2.322 180.104 177.584 0.330 0.000 1.164 473 A CA 1.884 54.137 52.037 0.359 0.000 0.643 473 A CB -1.254 17.869 19.000 0.204 0.000 0.806 473 A HN 1.347 nan 8.150 nan 0.000 0.451 474 A N -2.099 120.828 122.820 0.178 0.000 2.195 474 A HA 0.521 4.841 4.320 -0.000 0.000 0.210 474 A C 1.142 178.657 177.584 -0.116 0.000 1.165 474 A CA 1.231 53.312 52.037 0.074 0.000 0.806 474 A CB -0.268 18.747 19.000 0.025 0.000 0.847 474 A HN 1.810 nan 8.150 nan 0.000 0.482 475 G N -1.671 106.954 108.800 -0.292 0.000 2.356 475 G HA2 0.321 4.281 3.960 -0.000 0.000 0.300 475 G HA3 0.321 4.281 3.960 -0.000 0.000 0.300 475 G C -1.151 173.441 174.900 -0.512 0.000 1.331 475 G CA -0.957 43.602 45.100 -0.901 0.000 0.905 475 G HN 0.312 nan 8.290 nan 0.000 0.587 476 L N 0.670 121.613 121.223 -0.467 0.000 2.367 476 L HA 0.488 4.828 4.340 -0.000 0.000 0.275 476 L C 0.642 177.469 176.870 -0.071 0.000 1.129 476 L CA -0.283 54.466 54.840 -0.151 0.000 0.839 476 L CB 1.223 43.228 42.059 -0.089 0.000 1.133 476 L HN 0.509 nan 8.230 nan 0.000 0.453 477 K N 2.596 122.992 120.400 -0.007 0.000 2.358 477 K HA 0.513 4.833 4.320 -0.000 0.000 0.260 477 K C -0.905 175.711 176.600 0.026 0.000 0.956 477 K CA -0.199 56.088 56.287 0.000 0.000 0.834 477 K CB 1.806 34.300 32.500 -0.010 0.000 1.102 477 K HN 0.639 nan 8.250 nan 0.000 0.431 478 S N 1.953 117.663 115.700 0.016 0.000 2.911 478 S HA 0.237 4.707 4.470 -0.000 0.000 0.319 478 S C -0.032 174.551 174.600 -0.028 0.000 1.154 478 S CA -0.546 57.639 58.200 -0.025 0.000 0.857 478 S CB 1.064 64.254 63.200 -0.018 0.000 1.279 478 S HN 0.689 nan 8.310 nan 0.000 0.593 479 D N 1.317 121.690 120.400 -0.046 0.000 2.264 479 D HA -0.006 4.634 4.640 -0.000 0.000 0.208 479 D C 1.842 178.132 176.300 -0.015 0.000 0.966 479 D CA 1.448 55.431 54.000 -0.028 0.000 0.864 479 D CB -0.220 40.561 40.800 -0.031 0.000 0.933 479 D HN 0.453 nan 8.370 nan 0.000 0.499 480 S N -0.906 114.788 115.700 -0.010 0.000 2.496 480 S HA 0.359 4.829 4.470 -0.000 0.000 0.224 480 S C 1.209 175.807 174.600 -0.004 0.000 0.996 480 S CA 0.429 58.627 58.200 -0.003 0.000 0.927 480 S CB 0.747 63.950 63.200 0.005 0.000 0.774 480 S HN 0.351 nan 8.310 nan 0.000 0.524 481 G N 0.571 109.368 108.800 -0.005 0.000 2.293 481 G HA2 0.206 4.166 3.960 -0.000 0.000 0.282 481 G HA3 0.206 4.166 3.960 -0.000 0.000 0.282 481 G C -1.742 173.147 174.900 -0.017 0.000 1.299 481 G CA -0.543 44.550 45.100 -0.012 0.000 1.018 481 G HN 0.622 nan 8.290 nan 0.000 0.478 482 L N 0.847 122.051 121.223 -0.032 0.000 2.257 482 L HA 0.740 5.080 4.340 -0.000 0.000 0.290 482 L C 0.386 177.208 176.870 -0.080 0.000 1.044 482 L CA -0.534 54.272 54.840 -0.057 0.000 0.810 482 L CB 1.071 43.096 42.059 -0.057 0.000 1.193 482 L HN 0.600 nan 8.230 nan 0.000 0.425 483 K N 5.107 125.439 120.400 -0.114 0.000 2.292 483 K HA 0.637 4.957 4.320 -0.000 0.000 0.270 483 K C -0.447 176.000 176.600 -0.255 0.000 1.062 483 K CA -0.522 55.682 56.287 -0.138 0.000 0.916 483 K CB 0.947 33.383 32.500 -0.106 0.000 1.166 483 K HN 0.831 nan 8.250 nan 0.000 0.458 484 A N 3.843 126.543 122.820 -0.200 0.000 2.425 484 A HA 0.162 4.482 4.320 -0.000 0.000 0.242 484 A C -0.807 176.643 177.584 -0.223 0.000 1.077 484 A CA -0.029 51.865 52.037 -0.237 0.000 0.781 484 A CB -0.019 18.927 19.000 -0.090 0.000 1.020 484 A HN 0.657 nan 8.150 nan 0.000 0.494 485 Y N 0.132 120.449 120.300 0.028 0.000 2.346 485 Y HA 0.378 4.928 4.550 -0.000 0.000 0.330 485 Y C 1.089 177.029 175.900 0.067 0.000 1.178 485 Y CA 0.043 58.166 58.100 0.039 0.000 1.331 485 Y CB 0.803 39.291 38.460 0.047 0.000 1.253 485 Y HN 0.682 nan 8.280 nan 0.000 0.529 486 A N 2.482 125.458 122.820 0.260 0.000 3.063 486 A HA 0.642 4.962 4.320 -0.000 0.000 0.263 486 A C 0.070 177.798 177.584 0.240 0.000 1.736 486 A CA 0.393 52.560 52.037 0.217 0.000 1.408 486 A CB -1.378 17.746 19.000 0.208 0.000 1.108 486 A HN 0.778 nan 8.150 nan 0.000 0.621 487 A N 0.144 123.084 122.820 0.200 0.000 2.612 487 A HA 0.792 5.112 4.320 -0.000 0.000 0.293 487 A C -0.465 177.182 177.584 0.106 0.000 1.075 487 A CA 0.039 52.160 52.037 0.140 0.000 0.680 487 A CB 0.651 19.768 19.000 0.195 0.000 1.279 487 A HN 1.785 nan 8.150 nan 0.000 0.411 488 A N 0.771 123.606 122.820 0.026 0.000 2.288 488 A HA 0.758 5.078 4.320 -0.000 0.000 0.320 488 A C -0.207 177.418 177.584 0.068 0.000 1.217 488 A CA -0.306 51.751 52.037 0.033 0.000 0.840 488 A CB 0.422 19.410 19.000 -0.021 0.000 1.179 488 A HN 0.917 nan 8.150 nan 0.000 0.504 489 T N 2.425 117.041 114.554 0.105 0.000 2.815 489 T HA 0.582 4.931 4.350 -0.000 0.000 0.289 489 T C 0.767 175.508 174.700 0.068 0.000 1.000 489 T CA 0.119 62.296 62.100 0.128 0.000 0.958 489 T CB 1.457 70.387 68.868 0.103 0.000 0.944 489 T HN 0.948 nan 8.240 nan 0.000 0.442 490 G N 1.722 110.561 108.800 0.064 0.000 2.494 490 G HA2 0.753 4.713 3.960 -0.000 0.000 0.270 490 G HA3 0.753 4.713 3.960 -0.000 0.000 0.270 490 G C 0.155 175.073 174.900 0.030 0.000 1.423 490 G CA -0.215 44.911 45.100 0.043 0.000 1.055 490 G HN 0.926 nan 8.290 nan 0.000 0.536 491 G N -2.365 106.451 108.800 0.027 0.000 3.021 491 G HA2 0.422 4.382 3.960 -0.000 0.000 0.290 491 G HA3 0.422 4.382 3.960 -0.000 0.000 0.290 491 G C 0.061 174.975 174.900 0.023 0.000 1.291 491 G CA 0.065 45.175 45.100 0.017 0.000 0.834 491 G HN 0.275 nan 8.290 nan 0.000 0.564 492 D N 0.081 120.491 120.400 0.018 0.000 2.254 492 D HA -0.059 4.581 4.640 -0.000 0.000 0.201 492 D C 1.692 178.009 176.300 0.029 0.000 0.998 492 D CA 1.442 55.456 54.000 0.022 0.000 0.885 492 D CB -0.465 40.345 40.800 0.017 0.000 0.915 492 D HN 0.473 nan 8.370 nan 0.000 0.460 493 G N 0.244 109.061 108.800 0.028 0.000 2.634 493 G HA2 0.105 4.064 3.960 -0.000 0.000 0.255 493 G HA3 0.105 4.064 3.960 -0.000 0.000 0.255 493 G C -0.294 174.628 174.900 0.037 0.000 1.205 493 G CA -0.523 44.595 45.100 0.030 0.000 0.884 493 G HN -0.111 nan 8.290 nan 0.000 0.549 494 D N 1.298 121.721 120.400 0.037 0.000 2.470 494 D HA 0.143 4.783 4.640 -0.000 0.000 0.226 494 D C -0.017 176.307 176.300 0.041 0.000 1.196 494 D CA 0.335 54.361 54.000 0.044 0.000 0.979 494 D CB 0.395 41.220 40.800 0.042 0.000 1.059 494 D HN 0.196 nan 8.370 nan 0.000 0.515 495 D N 0.488 120.914 120.400 0.044 0.000 2.264 495 D HA 0.179 4.819 4.640 -0.000 0.000 0.249 495 D C 0.237 176.560 176.300 0.038 0.000 1.070 495 D CA -0.414 53.608 54.000 0.038 0.000 0.912 495 D CB 2.359 43.181 40.800 0.037 0.000 1.193 495 D HN -0.024 nan 8.370 nan 0.000 0.427 496 V N 2.879 122.810 119.914 0.028 0.000 2.328 496 V HA 0.256 4.376 4.120 -0.000 0.000 0.278 496 V C 0.133 176.235 176.094 0.014 0.000 1.021 496 V CA -0.600 61.714 62.300 0.024 0.000 0.838 496 V CB 0.874 32.708 31.823 0.019 0.000 0.999 496 V HN 0.271 nan 8.190 nan 0.000 0.447 497 L N 5.291 126.518 121.223 0.007 0.000 2.316 497 L HA 0.565 4.905 4.340 -0.000 0.000 0.280 497 L C -0.151 176.696 176.870 -0.038 0.000 1.006 497 L CA -0.261 54.568 54.840 -0.019 0.000 0.836 497 L CB 1.597 43.634 42.059 -0.037 0.000 1.221 497 L HN 0.628 nan 8.230 nan 0.000 0.418 498 Q N 2.787 122.566 119.800 -0.035 0.000 2.314 498 Q HA 0.598 4.938 4.340 -0.000 0.000 0.259 498 Q C -0.223 175.736 176.000 -0.069 0.000 0.951 498 Q CA -0.612 55.165 55.803 -0.044 0.000 0.909 498 Q CB 1.873 30.603 28.738 -0.014 0.000 1.236 498 Q HN 0.753 nan 8.270 nan 0.000 0.444 499 A N 4.497 127.233 122.820 -0.140 0.000 2.511 499 A HA 0.187 4.507 4.320 -0.000 0.000 0.242 499 A C -0.232 177.358 177.584 0.011 0.000 1.069 499 A CA 0.123 52.056 52.037 -0.174 0.000 0.763 499 A CB 0.318 19.012 19.000 -0.510 0.000 1.001 499 A HN 0.889 nan 8.150 nan 0.000 0.498 500 R N 1.171 121.697 120.500 0.045 0.000 2.553 500 R HA 0.327 4.667 4.340 -0.000 0.000 0.263 500 R C 1.719 178.082 176.300 0.105 0.000 1.066 500 R CA 0.197 56.343 56.100 0.078 0.000 1.135 500 R CB 0.711 31.049 30.300 0.062 0.000 1.148 500 R HN 0.919 nan 8.270 nan 0.000 0.558 501 S N -0.067 115.615 115.700 -0.029 0.000 2.392 501 S HA -0.229 4.241 4.470 -0.000 0.000 0.232 501 S C 1.001 175.355 174.600 -0.410 0.000 1.041 501 S CA 1.493 59.518 58.200 -0.292 0.000 1.026 501 S CB -0.384 62.585 63.200 -0.385 0.000 0.845 501 S HN 0.683 nan 8.310 nan 0.000 0.465 502 H N 0.715 119.791 119.070 0.009 0.000 2.528 502 H HA 0.422 4.978 4.556 -0.000 0.000 0.282 502 H C -0.726 174.631 175.328 0.048 0.000 1.097 502 H CA -0.530 55.527 56.048 0.014 0.000 1.121 502 H CB 0.100 29.866 29.762 0.006 0.000 1.590 502 H HN 0.287 nan 8.280 nan 0.000 0.553 503 D N 0.434 120.919 120.400 0.142 0.000 2.389 503 D HA 0.181 4.821 4.640 -0.000 0.000 0.247 503 D C 0.826 177.126 176.300 -0.001 0.000 1.128 503 D CA 0.163 54.203 54.000 0.066 0.000 0.884 503 D CB 1.681 42.464 40.800 -0.030 0.000 1.194 503 D HN 0.417 nan 8.370 nan 0.000 0.441 504 A N 2.788 125.594 122.820 -0.023 0.000 2.259 504 A HA 0.185 4.505 4.320 -0.000 0.000 0.213 504 A C -0.416 176.818 177.584 -0.583 0.000 1.209 504 A CA -0.065 51.831 52.037 -0.236 0.000 0.910 504 A CB 0.311 19.231 19.000 -0.135 0.000 0.946 504 A HN 0.523 nan 8.150 nan 0.000 0.497 505 W N -0.934 120.117 121.300 -0.415 0.000 3.022 505 W HA 0.687 5.347 4.660 -0.000 0.000 0.335 505 W C -0.946 175.067 176.519 -0.843 0.000 1.133 505 W CA -0.532 56.376 57.345 -0.728 0.000 1.219 505 W CB 1.110 30.023 29.460 -0.911 0.000 1.409 505 W HN -0.142 nan 8.180 nan 0.000 0.507 506 L N 2.970 123.736 121.223 -0.762 0.000 2.356 506 L HA 0.555 4.895 4.340 -0.000 0.000 0.277 506 L C -1.261 175.207 176.870 -0.669 0.000 0.996 506 L CA -0.859 53.609 54.840 -0.621 0.000 0.822 506 L CB 1.137 42.873 42.059 -0.539 0.000 1.256 506 L HN 0.264 nan 8.230 nan 0.000 0.413 507 F N 1.312 121.182 119.950 -0.135 0.000 2.359 507 F HA 0.340 4.867 4.527 -0.000 0.000 0.369 507 F C 1.239 176.996 175.800 -0.070 0.000 1.084 507 F CA -0.761 57.157 58.000 -0.136 0.000 1.096 507 F CB 1.446 40.325 39.000 -0.202 0.000 1.335 507 F HN 0.547 nan 8.300 nan 0.000 0.457 508 G N 1.523 110.392 108.800 0.114 0.000 2.432 508 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.219 508 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.219 508 G C 0.833 175.791 174.900 0.097 0.000 1.135 508 G CA 0.494 45.651 45.100 0.095 0.000 0.767 508 G HN 0.611 nan 8.290 nan 0.000 0.550 509 N N -0.515 118.254 118.700 0.115 0.000 1.673 509 N HA -0.196 4.544 4.740 -0.000 0.000 0.120 509 N C 0.893 176.452 175.510 0.082 0.000 0.843 509 N CA 0.894 53.991 53.050 0.079 0.000 0.859 509 N CB -1.308 37.198 38.487 0.031 0.000 0.883 509 N HN 0.735 nan 8.380 nan 0.000 0.676 510 A N -0.092 122.763 122.820 0.058 0.000 2.339 510 A HA 0.487 4.806 4.320 -0.000 0.000 0.272 510 A C 1.262 178.886 177.584 0.066 0.000 1.182 510 A CA 1.511 53.584 52.037 0.061 0.000 0.819 510 A CB -1.018 18.007 19.000 0.042 0.000 1.115 510 A HN 1.987 nan 8.150 nan 0.000 0.512 511 G N -0.989 107.849 108.800 0.063 0.000 2.846 511 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.660 511 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.660 511 G C -0.527 174.419 174.900 0.077 0.000 1.464 511 G CA -0.105 45.032 45.100 0.061 0.000 0.891 511 G HN 1.085 nan 8.290 nan 0.000 0.552 512 N N 2.147 120.890 118.700 0.071 0.000 2.415 512 N HA 0.332 5.072 4.740 -0.000 0.000 0.250 512 N C -0.399 175.160 175.510 0.081 0.000 1.127 512 N CA 0.014 53.113 53.050 0.082 0.000 0.945 512 N CB 0.708 39.238 38.487 0.071 0.000 1.196 512 N HN 0.494 nan 8.380 nan 0.000 0.499 513 D N 0.496 120.955 120.400 0.098 0.000 2.228 513 D HA 0.342 4.982 4.640 -0.000 0.000 0.247 513 D C -0.130 176.232 176.300 0.103 0.000 0.995 513 D CA -0.053 54.002 54.000 0.092 0.000 0.903 513 D CB 1.626 42.484 40.800 0.097 0.000 1.205 513 D HN 0.162 nan 8.370 nan 0.000 0.459 514 T N 1.679 116.284 114.554 0.085 0.000 2.791 514 T HA 0.373 4.723 4.350 -0.000 0.000 0.288 514 T C -0.331 174.424 174.700 0.092 0.000 0.999 514 T CA -0.552 61.602 62.100 0.091 0.000 0.952 514 T CB 0.550 69.453 68.868 0.058 0.000 0.938 514 T HN 0.001 nan 8.240 nan 0.000 0.444 515 L N 4.686 125.998 121.223 0.148 0.000 2.280 515 L HA 0.556 4.896 4.340 -0.000 0.000 0.287 515 L C -0.268 176.743 176.870 0.235 0.000 1.023 515 L CA -0.293 54.641 54.840 0.156 0.000 0.819 515 L CB 0.898 43.098 42.059 0.234 0.000 1.212 515 L HN 0.619 nan 8.230 nan 0.000 0.420 516 I N 2.594 123.225 120.570 0.101 0.000 2.354 516 I HA 0.518 4.688 4.170 -0.000 0.000 0.292 516 I C 0.995 177.131 176.117 0.031 0.000 0.989 516 I CA -0.431 60.933 61.300 0.107 0.000 1.188 516 I CB 1.618 39.638 38.000 0.034 0.000 1.342 516 I HN 0.656 nan 8.210 nan 0.000 0.457 517 G N 4.750 113.641 108.800 0.152 0.000 2.535 517 G HA2 0.412 4.372 3.960 -0.000 0.000 0.282 517 G HA3 0.412 4.372 3.960 -0.000 0.000 0.282 517 G C -0.574 174.299 174.900 -0.045 0.000 1.350 517 G CA -0.306 44.790 45.100 -0.008 0.000 1.039 517 G HN 0.829 nan 8.290 nan 0.000 0.509 518 H N -3.623 115.445 119.070 -0.003 0.000 2.907 518 H HA 0.613 5.169 4.556 -0.000 0.000 0.361 518 H C 1.020 176.332 175.328 -0.027 0.000 1.194 518 H CA -0.522 55.508 56.048 -0.030 0.000 1.152 518 H CB 1.619 31.340 29.762 -0.069 0.000 1.867 518 H HN 0.530 nan 8.280 nan 0.000 0.561 519 A N 0.961 123.857 122.820 0.127 0.000 1.986 519 A HA -0.138 4.181 4.320 -0.000 0.000 0.220 519 A C 2.276 179.862 177.584 0.004 0.000 1.171 519 A CA 1.886 53.944 52.037 0.036 0.000 0.640 519 A CB -1.426 17.566 19.000 -0.014 0.000 0.811 519 A HN 0.891 nan 8.150 nan 0.000 0.451 520 G N -1.503 107.251 108.800 -0.077 0.000 2.559 520 G HA2 0.331 4.291 3.960 -0.000 0.000 0.216 520 G HA3 0.331 4.291 3.960 -0.000 0.000 0.216 520 G C 1.260 176.156 174.900 -0.006 0.000 1.126 520 G CA 0.818 45.849 45.100 -0.116 0.000 0.778 520 G HN 1.585 nan 8.290 nan 0.000 0.543 521 G N 0.673 109.547 108.800 0.124 0.000 2.564 521 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.273 521 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.273 521 G C 0.455 175.372 174.900 0.029 0.000 1.242 521 G CA 0.349 45.492 45.100 0.072 0.000 0.951 521 G HN 1.144 nan 8.290 nan 0.000 0.564 522 N N -2.135 116.530 118.700 -0.059 0.000 2.708 522 N HA -0.169 4.571 4.740 -0.000 0.000 0.249 522 N C -0.111 175.280 175.510 -0.199 0.000 1.097 522 N CA 0.741 53.719 53.050 -0.120 0.000 0.710 522 N CB -0.628 37.804 38.487 -0.092 0.000 1.032 522 N HN 0.892 nan 8.380 nan 0.000 0.551 523 L N 0.278 121.356 121.223 -0.243 0.000 2.334 523 L HA 0.511 4.851 4.340 -0.000 0.000 0.276 523 L C -0.130 176.416 176.870 -0.541 0.000 1.014 523 L CA -0.113 54.461 54.840 -0.444 0.000 0.815 523 L CB 1.926 43.641 42.059 -0.573 0.000 1.268 523 L HN -0.047 nan 8.230 nan 0.000 0.428 524 T N 5.125 119.233 114.554 -0.744 0.000 2.756 524 T HA 0.473 4.823 4.350 -0.000 0.000 0.290 524 T C -0.558 173.752 174.700 -0.650 0.000 0.985 524 T CA 0.135 61.813 62.100 -0.704 0.000 0.955 524 T CB -0.124 68.136 68.868 -1.014 0.000 0.930 524 T HN 0.245 nan 8.240 nan 0.000 0.451 525 F N 2.322 121.920 119.950 -0.588 0.000 2.410 525 F HA 0.506 5.033 4.527 -0.000 0.000 0.349 525 F C 0.257 175.844 175.800 -0.355 0.000 1.117 525 F CA -0.905 56.852 58.000 -0.405 0.000 1.104 525 F CB 1.225 40.073 39.000 -0.253 0.000 1.122 525 F HN 0.179 nan 8.300 nan 0.000 0.483 526 V N 3.494 123.324 119.914 -0.141 0.000 2.380 526 V HA 0.222 4.342 4.120 -0.000 0.000 0.268 526 V C 0.815 176.936 176.094 0.044 0.000 1.008 526 V CA -0.535 61.718 62.300 -0.078 0.000 0.823 526 V CB 0.842 32.672 31.823 0.012 0.000 1.053 526 V HN 1.040 nan 8.190 nan 0.000 0.446 527 G N 2.097 110.950 108.800 0.089 0.000 2.448 527 G HA2 0.297 4.256 3.960 -0.000 0.000 0.219 527 G HA3 0.297 4.256 3.960 -0.000 0.000 0.219 527 G C 1.019 176.030 174.900 0.184 0.000 1.127 527 G CA 1.022 46.223 45.100 0.170 0.000 0.766 527 G HN 1.400 nan 8.290 nan 0.000 0.552 528 G N -0.469 108.454 108.800 0.204 0.000 2.601 528 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.252 528 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.252 528 G C 0.677 175.722 174.900 0.241 0.000 1.294 528 G CA 0.847 46.077 45.100 0.216 0.000 0.912 528 G HN 1.552 nan 8.290 nan 0.000 0.574 529 S N 0.089 115.900 115.700 0.185 0.000 2.641 529 S HA 0.573 5.043 4.470 -0.000 0.000 0.251 529 S C 1.538 176.229 174.600 0.152 0.000 1.332 529 S CA 0.979 59.277 58.200 0.164 0.000 0.968 529 S CB 0.438 63.704 63.200 0.110 0.000 0.987 529 S HN 2.909 nan 8.310 nan 0.000 0.587 530 G N -0.028 108.842 108.800 0.117 0.000 2.888 530 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.441 530 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.441 530 G C -1.407 173.573 174.900 0.133 0.000 1.461 530 G CA -0.130 45.033 45.100 0.105 0.000 0.897 530 G HN 0.890 nan 8.290 nan 0.000 0.547 531 D N 1.665 122.133 120.400 0.113 0.000 2.359 531 D HA 0.472 5.112 4.640 -0.000 0.000 0.230 531 D C -0.094 176.289 176.300 0.139 0.000 1.118 531 D CA 0.014 54.089 54.000 0.124 0.000 0.844 531 D CB 1.027 41.881 40.800 0.089 0.000 1.059 531 D HN 0.365 nan 8.370 nan 0.000 0.493 532 D N 1.471 121.980 120.400 0.181 0.000 2.269 532 D HA 0.438 5.078 4.640 -0.000 0.000 0.244 532 D C 0.334 176.752 176.300 0.197 0.000 0.992 532 D CA -0.492 53.620 54.000 0.187 0.000 0.894 532 D CB 2.346 43.279 40.800 0.220 0.000 1.248 532 D HN 0.209 nan 8.370 nan 0.000 0.468 533 I N 1.606 122.289 120.570 0.189 0.000 2.354 533 I HA 0.267 4.437 4.170 -0.000 0.000 0.292 533 I C -0.451 175.806 176.117 0.235 0.000 0.989 533 I CA -0.632 60.799 61.300 0.217 0.000 1.188 533 I CB 1.216 39.329 38.000 0.188 0.000 1.342 533 I HN 0.040 nan 8.210 nan 0.000 0.457 534 L N 7.026 128.402 121.223 0.255 0.000 2.316 534 L HA 0.475 4.815 4.340 -0.000 0.000 0.280 534 L C -0.292 176.671 176.870 0.155 0.000 1.006 534 L CA -0.672 54.296 54.840 0.213 0.000 0.836 534 L CB 1.074 43.230 42.059 0.163 0.000 1.221 534 L HN 0.465 nan 8.230 nan 0.000 0.418 535 K N 2.856 123.349 120.400 0.155 0.000 2.296 535 K HA 0.356 4.676 4.320 -0.000 0.000 0.257 535 K C 0.361 177.014 176.600 0.089 0.000 1.088 535 K CA -0.366 55.987 56.287 0.110 0.000 0.980 535 K CB 1.500 34.033 32.500 0.055 0.000 1.430 535 K HN 0.768 nan 8.250 nan 0.000 0.441 536 G N 1.420 110.226 108.800 0.010 0.000 2.406 536 G HA2 0.337 4.297 3.960 -0.000 0.000 0.251 536 G HA3 0.337 4.297 3.960 -0.000 0.000 0.251 536 G C -0.449 174.524 174.900 0.121 0.000 1.271 536 G CA -0.245 44.900 45.100 0.075 0.000 0.859 536 G HN 0.300 nan 8.290 nan 0.000 0.540 537 V N 2.303 122.302 119.914 0.141 0.000 2.638 537 V HA 0.825 4.945 4.120 -0.000 0.000 0.306 537 V C 0.904 177.042 176.094 0.075 0.000 1.052 537 V CA 0.527 62.887 62.300 0.099 0.000 0.885 537 V CB 0.783 32.671 31.823 0.108 0.000 0.999 537 V HN 1.781 nan 8.190 nan 0.000 0.424 538 G N 5.295 114.119 108.800 0.040 0.000 2.539 538 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.256 538 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.256 538 G C -0.495 174.399 174.900 -0.009 0.000 1.233 538 G CA 0.168 45.277 45.100 0.015 0.000 0.936 538 G HN 0.768 nan 8.290 nan 0.000 0.571 539 N N 0.724 119.409 118.700 -0.025 0.000 2.381 539 N HA 0.619 5.358 4.740 -0.000 0.000 0.294 539 N C 0.862 176.332 175.510 -0.068 0.000 1.216 539 N CA 1.006 54.023 53.050 -0.054 0.000 0.803 539 N CB 1.256 39.712 38.487 -0.052 0.000 1.372 539 N HN 2.214 nan 8.380 nan 0.000 0.500 540 G N -0.018 108.726 108.800 -0.093 0.000 2.143 540 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.248 540 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.248 540 G C -0.377 174.438 174.900 -0.142 0.000 0.991 540 G CA -0.271 44.766 45.100 -0.105 0.000 0.689 540 G HN 0.557 nan 8.290 nan 0.000 0.522 541 N N 0.444 119.048 118.700 -0.160 0.000 2.503 541 N HA 0.469 5.209 4.740 -0.000 0.000 0.267 541 N C -0.108 175.192 175.510 -0.349 0.000 1.214 541 N CA 0.554 53.442 53.050 -0.270 0.000 0.959 541 N CB 0.995 39.300 38.487 -0.304 0.000 1.142 541 N HN 0.161 nan 8.380 nan 0.000 0.455 542 T N 1.622 115.887 114.554 -0.481 0.000 2.824 542 T HA 0.495 4.844 4.350 -0.000 0.000 0.282 542 T C -0.615 173.735 174.700 -0.583 0.000 0.993 542 T CA -0.409 61.466 62.100 -0.376 0.000 0.967 542 T CB 0.326 69.016 68.868 -0.296 0.000 0.960 542 T HN 0.181 nan 8.240 nan 0.000 0.441 543 F N 3.053 122.923 119.950 -0.134 0.000 2.402 543 F HA 0.590 5.116 4.527 -0.000 0.000 0.355 543 F C -0.272 175.128 175.800 -0.668 0.000 1.123 543 F CA -1.099 56.721 58.000 -0.298 0.000 1.021 543 F CB 1.197 40.133 39.000 -0.108 0.000 1.160 543 F HN 0.249 nan 8.300 nan 0.000 0.451 544 L N 5.313 126.072 121.223 -0.773 0.000 2.313 544 L HA 0.723 5.063 4.340 -0.000 0.000 0.283 544 L C -1.641 174.635 176.870 -0.990 0.000 1.013 544 L CA -0.729 53.712 54.840 -0.665 0.000 0.816 544 L CB 0.604 42.530 42.059 -0.221 0.000 1.236 544 L HN 0.379 nan 8.230 nan 0.000 0.419 545 F N 3.004 122.742 119.950 -0.353 0.000 2.569 545 F HA 0.710 5.237 4.527 -0.000 0.000 0.312 545 F C 0.093 175.779 175.800 -0.190 0.000 1.109 545 F CA -0.598 57.144 58.000 -0.430 0.000 0.919 545 F CB 2.315 40.620 39.000 -1.158 0.000 1.211 545 F HN 0.448 nan 8.300 nan 0.000 0.446 546 S N 1.422 117.241 115.700 0.198 0.000 2.540 546 S HA 0.746 5.216 4.470 -0.000 0.000 0.275 546 S C 0.059 174.873 174.600 0.355 0.000 1.123 546 S CA 0.201 58.555 58.200 0.256 0.000 0.907 546 S CB 1.308 64.621 63.200 0.187 0.000 1.081 546 S HN 1.590 nan 8.310 nan 0.000 0.476 547 G N 3.713 112.721 108.800 0.347 0.000 2.574 547 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.286 547 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.286 547 G C -0.960 174.142 174.900 0.336 0.000 1.212 547 G CA 0.429 45.716 45.100 0.311 0.000 0.979 547 G HN 0.767 nan 8.290 nan 0.000 0.557 548 D N 1.765 122.298 120.400 0.222 0.000 2.422 548 D HA 0.438 5.078 4.640 -0.000 0.000 0.227 548 D C 0.978 177.367 176.300 0.148 0.000 1.190 548 D CA 0.141 54.209 54.000 0.113 0.000 0.905 548 D CB -0.236 40.601 40.800 0.063 0.000 1.034 548 D HN 0.459 nan 8.370 nan 0.000 0.507 549 F N -0.029 120.008 119.950 0.145 0.000 2.641 549 F HA 0.435 4.962 4.527 -0.000 0.000 0.302 549 F C 1.109 177.006 175.800 0.161 0.000 1.098 549 F CA -0.351 57.757 58.000 0.179 0.000 1.318 549 F CB -0.062 39.100 39.000 0.270 0.000 1.035 549 F HN 0.332 nan 8.300 nan 0.000 0.551 550 G N 2.049 110.759 108.800 -0.149 0.000 2.601 550 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.252 550 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.252 550 G C -0.523 174.327 174.900 -0.083 0.000 1.294 550 G CA -0.387 44.675 45.100 -0.062 0.000 0.912 550 G HN 0.599 nan 8.290 nan 0.000 0.574 551 R N 0.829 121.352 120.500 0.038 0.000 2.320 551 R HA 0.503 4.843 4.340 -0.000 0.000 0.319 551 R C -1.325 175.053 176.300 0.130 0.000 0.969 551 R CA -0.836 55.301 56.100 0.061 0.000 0.857 551 R CB 1.278 31.597 30.300 0.031 0.000 1.160 551 R HN 0.465 nan 8.270 nan 0.000 0.491 552 D N 1.976 122.485 120.400 0.182 0.000 2.326 552 D HA 0.250 4.890 4.640 -0.000 0.000 0.251 552 D C -0.290 176.069 176.300 0.099 0.000 1.023 552 D CA -0.489 53.627 54.000 0.195 0.000 0.966 552 D CB 1.407 42.402 40.800 0.326 0.000 1.156 552 D HN 0.267 nan 8.370 nan 0.000 0.494 553 Q N 0.275 120.130 119.800 0.091 0.000 2.340 553 Q HA 0.604 4.944 4.340 -0.000 0.000 0.268 553 Q C -0.967 175.008 176.000 -0.041 0.000 1.031 553 Q CA -0.606 55.188 55.803 -0.016 0.000 0.804 553 Q CB 2.797 31.538 28.738 0.004 0.000 1.286 553 Q HN 0.270 nan 8.270 nan 0.000 0.448 554 L N 3.289 124.384 121.223 -0.214 0.000 2.343 554 L HA 0.512 4.852 4.340 -0.000 0.000 0.278 554 L C -1.678 174.995 176.870 -0.328 0.000 0.996 554 L CA -0.701 53.991 54.840 -0.247 0.000 0.831 554 L CB 0.770 42.626 42.059 -0.339 0.000 1.232 554 L HN 0.677 nan 8.230 nan 0.000 0.413 555 Y N 2.841 123.050 120.300 -0.152 0.000 2.361 555 Y HA 0.525 5.075 4.550 -0.000 0.000 0.332 555 Y C 1.223 177.071 175.900 -0.087 0.000 1.101 555 Y CA 0.296 58.343 58.100 -0.088 0.000 1.137 555 Y CB 2.053 40.489 38.460 -0.040 0.000 1.207 555 Y HN 0.751 nan 8.280 nan 0.000 0.463 556 G N 2.106 110.970 108.800 0.108 0.000 2.143 556 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.249 556 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.249 556 G C -0.107 174.829 174.900 0.059 0.000 0.981 556 G CA -0.463 44.686 45.100 0.081 0.000 0.665 556 G HN 0.553 nan 8.290 nan 0.000 0.528 557 F N 2.171 122.052 119.950 -0.114 0.000 2.563 557 F HA 0.442 4.969 4.527 -0.000 0.000 0.363 557 F C 0.660 176.440 175.800 -0.033 0.000 1.123 557 F CA 0.763 58.701 58.000 -0.103 0.000 1.307 557 F CB 0.546 39.433 39.000 -0.189 0.000 1.115 557 F HN 0.579 nan 8.300 nan 0.000 0.592 558 N N 3.093 121.523 118.700 -0.450 0.000 2.825 558 N HA 0.430 5.170 4.740 -0.000 0.000 0.253 558 N C -0.238 175.104 175.510 -0.279 0.000 1.426 558 N CA -0.357 52.572 53.050 -0.202 0.000 0.851 558 N CB 0.875 39.291 38.487 -0.118 0.000 1.470 558 N HN 0.511 nan 8.380 nan 0.000 0.517 559 A N -0.102 122.672 122.820 -0.076 0.000 2.148 559 A HA -0.166 4.154 4.320 -0.000 0.000 0.222 559 A C 1.733 179.272 177.584 -0.076 0.000 1.161 559 A CA 2.310 54.334 52.037 -0.023 0.000 0.662 559 A CB -1.228 17.786 19.000 0.024 0.000 0.799 559 A HN 0.928 nan 8.150 nan 0.000 0.466 560 S N -0.968 114.651 115.700 -0.135 0.000 2.524 560 S HA 0.071 4.540 4.470 -0.000 0.000 0.216 560 S C 0.152 174.649 174.600 -0.172 0.000 0.987 560 S CA -0.055 58.074 58.200 -0.119 0.000 0.909 560 S CB -0.091 63.053 63.200 -0.094 0.000 0.781 560 S HN 0.411 nan 8.310 nan 0.000 0.521 561 D N 1.729 121.922 120.400 -0.345 0.000 2.340 561 D HA 0.477 5.117 4.640 -0.000 0.000 0.251 561 D C -0.402 175.772 176.300 -0.209 0.000 1.080 561 D CA -0.146 53.619 54.000 -0.390 0.000 0.971 561 D CB 1.080 41.441 40.800 -0.732 0.000 1.137 561 D HN 0.277 nan 8.370 nan 0.000 0.475 562 K N 0.525 120.947 120.400 0.037 0.000 2.464 562 K HA 0.516 4.835 4.320 -0.000 0.000 0.253 562 K C -1.447 175.346 176.600 0.322 0.000 0.933 562 K CA -0.641 55.758 56.287 0.187 0.000 0.801 562 K CB 1.260 33.796 32.500 0.060 0.000 1.271 562 K HN 0.292 nan 8.250 nan 0.000 0.430 563 L N 3.424 124.807 121.223 0.267 0.000 2.322 563 L HA 0.579 4.919 4.340 -0.000 0.000 0.281 563 L C -0.900 175.875 176.870 -0.159 0.000 1.014 563 L CA -1.261 53.627 54.840 0.078 0.000 0.815 563 L CB 1.915 44.025 42.059 0.084 0.000 1.247 563 L HN 0.293 nan 8.230 nan 0.000 0.421 564 V N 3.319 123.005 119.914 -0.380 0.000 2.482 564 V HA 0.445 4.565 4.120 -0.000 0.000 0.295 564 V C -0.861 174.933 176.094 -0.500 0.000 1.026 564 V CA -0.394 61.696 62.300 -0.350 0.000 0.856 564 V CB 1.579 33.298 31.823 -0.172 0.000 1.001 564 V HN 0.393 nan 8.190 nan 0.000 0.424 565 F N 5.308 125.219 119.950 -0.066 0.000 2.449 565 F HA 0.690 5.216 4.527 -0.000 0.000 0.342 565 F C 0.037 175.818 175.800 -0.032 0.000 1.127 565 F CA -0.668 57.280 58.000 -0.086 0.000 0.975 565 F CB 1.590 40.482 39.000 -0.180 0.000 1.146 565 F HN 0.234 nan 8.300 nan 0.000 0.444 566 I N 2.501 123.177 120.570 0.176 0.000 2.439 566 I HA 0.487 4.657 4.170 -0.000 0.000 0.285 566 I C 0.454 176.724 176.117 0.255 0.000 1.021 566 I CA -0.931 60.470 61.300 0.168 0.000 1.091 566 I CB 1.714 39.776 38.000 0.103 0.000 1.242 566 I HN 0.820 nan 8.210 nan 0.000 0.439 567 G N 3.860 112.868 108.800 0.347 0.000 2.314 567 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.292 567 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.292 567 G C 0.044 175.151 174.900 0.346 0.000 1.059 567 G CA 0.437 45.782 45.100 0.409 0.000 0.982 567 G HN 0.799 nan 8.290 nan 0.000 0.505 568 T N -2.601 112.167 114.554 0.356 0.000 2.948 568 T HA 0.691 5.041 4.350 -0.000 0.000 0.285 568 T C 0.217 175.169 174.700 0.419 0.000 1.019 568 T CA -0.714 61.616 62.100 0.384 0.000 1.013 568 T CB 2.105 71.172 68.868 0.332 0.000 1.117 568 T HN 0.319 nan 8.240 nan 0.000 0.533 569 E N 0.236 120.687 120.200 0.417 0.000 2.442 569 E HA 0.422 4.772 4.350 -0.000 0.000 0.262 569 E C 0.654 177.450 176.600 0.327 0.000 1.004 569 E CA 0.814 57.415 56.400 0.336 0.000 0.928 569 E CB 0.073 29.932 29.700 0.266 0.000 0.937 569 E HN 1.153 nan 8.360 nan 0.000 0.446 570 G N 0.819 109.662 108.800 0.073 0.000 2.712 570 G HA2 0.017 3.976 3.960 -0.000 0.000 0.686 570 G HA3 0.017 3.976 3.960 -0.000 0.000 0.686 570 G C 0.070 174.872 174.900 -0.164 0.000 1.181 570 G CA -0.349 44.696 45.100 -0.092 0.000 0.762 570 G HN 0.577 nan 8.290 nan 0.000 0.641 571 A N 0.763 123.405 122.820 -0.297 0.000 2.229 571 A HA 0.718 5.037 4.320 -0.000 0.000 0.211 571 A C 1.626 179.234 177.584 0.039 0.000 1.193 571 A CA 1.644 53.573 52.037 -0.179 0.000 0.879 571 A CB 0.058 18.906 19.000 -0.254 0.000 0.911 571 A HN 2.244 nan 8.150 nan 0.000 0.492 572 S N -0.118 115.592 115.700 0.018 0.000 2.562 572 S HA 0.387 4.857 4.470 -0.000 0.000 0.281 572 S C 1.137 175.868 174.600 0.218 0.000 1.333 572 S CA 0.227 58.472 58.200 0.074 0.000 1.052 572 S CB 1.023 64.195 63.200 -0.047 0.000 0.884 572 S HN 0.526 nan 8.310 nan 0.000 0.506 573 G N 3.211 112.097 108.800 0.143 0.000 3.233 573 G HA2 0.099 4.059 3.960 -0.000 0.000 0.234 573 G HA3 0.099 4.059 3.960 -0.000 0.000 0.234 573 G C 0.227 175.190 174.900 0.104 0.000 1.137 573 G CA -0.343 44.831 45.100 0.124 0.000 0.763 573 G HN 0.645 nan 8.290 nan 0.000 0.549 574 N N 0.981 119.758 118.700 0.128 0.000 2.469 574 N HA 0.166 4.905 4.740 -0.000 0.000 0.253 574 N C 0.880 176.478 175.510 0.146 0.000 0.970 574 N CA -0.780 52.326 53.050 0.094 0.000 0.940 574 N CB 1.451 39.968 38.487 0.051 0.000 1.128 574 N HN -0.098 nan 8.380 nan 0.000 0.503 575 I N 4.311 124.929 120.570 0.080 0.000 2.567 575 I HA -0.100 4.070 4.170 -0.000 0.000 0.257 575 I C 1.872 178.043 176.117 0.091 0.000 1.184 575 I CA 1.208 62.535 61.300 0.045 0.000 1.451 575 I CB 0.043 38.033 38.000 -0.016 0.000 1.089 575 I HN 0.521 nan 8.210 nan 0.000 0.441 576 R N 0.139 120.670 120.500 0.052 0.000 2.189 576 R HA -0.120 4.219 4.340 -0.000 0.000 0.223 576 R C 1.346 177.635 176.300 -0.017 0.000 1.092 576 R CA 1.269 57.374 56.100 0.008 0.000 0.989 576 R CB -0.412 29.883 30.300 -0.008 0.000 0.876 576 R HN 0.403 nan 8.270 nan 0.000 0.457 577 D N -0.451 119.941 120.400 -0.014 0.000 2.348 577 D HA -0.116 4.524 4.640 -0.000 0.000 0.216 577 D C 0.853 176.956 176.300 -0.328 0.000 0.970 577 D CA 1.141 55.036 54.000 -0.175 0.000 0.889 577 D CB 0.040 40.688 40.800 -0.253 0.000 0.912 577 D HN 0.378 nan 8.370 nan 0.000 0.524 578 Y N 0.124 120.261 120.300 -0.271 0.000 2.449 578 Y HA 0.371 4.921 4.550 -0.000 0.000 0.254 578 Y C 1.035 176.762 175.900 -0.287 0.000 1.140 578 Y CA -0.380 57.486 58.100 -0.390 0.000 1.272 578 Y CB 0.551 38.622 38.460 -0.648 0.000 1.114 578 Y HN -0.182 nan 8.280 nan 0.000 0.525 579 A N 0.889 123.672 122.820 -0.061 0.000 2.301 579 A HA 0.658 4.978 4.320 -0.000 0.000 0.312 579 A C -0.014 177.525 177.584 -0.075 0.000 1.182 579 A CA -0.235 51.763 52.037 -0.065 0.000 0.826 579 A CB 0.194 19.165 19.000 -0.049 0.000 1.134 579 A HN 0.190 nan 8.150 nan 0.000 0.501 580 T N 0.114 114.626 114.554 -0.070 0.000 2.928 580 T HA 0.509 4.859 4.350 -0.000 0.000 0.296 580 T C -0.688 173.979 174.700 -0.055 0.000 1.000 580 T CA -0.666 61.396 62.100 -0.064 0.000 0.989 580 T CB 1.376 70.203 68.868 -0.068 0.000 1.005 580 T HN 0.564 nan 8.240 nan 0.000 0.442 581 Q N 2.163 121.935 119.800 -0.047 0.000 2.296 581 Q HA 0.246 4.586 4.340 -0.000 0.000 0.263 581 Q C -0.168 175.808 176.000 -0.040 0.000 1.026 581 Q CA 0.213 55.991 55.803 -0.041 0.000 0.912 581 Q CB 0.846 29.565 28.738 -0.031 0.000 1.198 581 Q HN 0.782 nan 8.270 nan 0.000 0.407 582 Q N 4.799 124.574 119.800 -0.042 0.000 2.721 582 Q HA 0.217 4.557 4.340 -0.000 0.000 0.257 582 Q C -0.616 175.363 176.000 -0.035 0.000 1.070 582 Q CA -0.252 55.527 55.803 -0.039 0.000 0.910 582 Q CB 0.094 28.806 28.738 -0.043 0.000 1.163 582 Q HN 0.863 nan 8.270 nan 0.000 0.501 583 N N 1.339 120.022 118.700 -0.028 0.000 1.663 583 N HA -0.229 4.511 4.740 -0.000 0.000 0.175 583 N C -0.359 175.136 175.510 -0.024 0.000 0.777 583 N CA 1.843 54.879 53.050 -0.023 0.000 1.195 583 N CB -1.120 37.354 38.487 -0.022 0.000 1.427 583 N HN 0.587 nan 8.380 nan 0.000 0.439 584 D N 1.715 122.099 120.400 -0.027 0.000 2.339 584 D HA 0.184 4.824 4.640 -0.000 0.000 0.217 584 D C -0.630 175.642 176.300 -0.045 0.000 1.050 584 D CA 0.591 54.574 54.000 -0.029 0.000 0.856 584 D CB -0.029 40.757 40.800 -0.024 0.000 0.922 584 D HN 0.262 nan 8.370 nan 0.000 0.518 585 D N 0.258 120.625 120.400 -0.055 0.000 2.342 585 D HA 0.319 4.959 4.640 -0.000 0.000 0.243 585 D C -0.602 175.654 176.300 -0.075 0.000 1.019 585 D CA -0.702 53.250 54.000 -0.079 0.000 0.864 585 D CB 2.317 43.061 40.800 -0.093 0.000 1.315 585 D HN -0.114 nan 8.370 nan 0.000 0.468 586 L N 1.733 122.899 121.223 -0.094 0.000 2.287 586 L HA 0.385 4.725 4.340 -0.000 0.000 0.287 586 L C -1.251 175.562 176.870 -0.096 0.000 1.022 586 L CA -0.575 54.212 54.840 -0.089 0.000 0.814 586 L CB 1.442 43.441 42.059 -0.100 0.000 1.217 586 L HN 0.119 nan 8.230 nan 0.000 0.420 587 V N 6.750 126.620 119.914 -0.074 0.000 2.370 587 V HA 0.375 4.495 4.120 -0.000 0.000 0.279 587 V C 0.024 176.086 176.094 -0.053 0.000 1.029 587 V CA -0.523 61.740 62.300 -0.060 0.000 0.870 587 V CB 1.364 33.157 31.823 -0.051 0.000 0.984 587 V HN 0.564 nan 8.190 nan 0.000 0.451 588 L N 5.060 126.267 121.223 -0.026 0.000 2.262 588 L HA 0.707 5.047 4.340 -0.000 0.000 0.288 588 L C 0.455 177.347 176.870 0.037 0.000 1.035 588 L CA -0.298 54.528 54.840 -0.022 0.000 0.820 588 L CB 1.223 43.297 42.059 0.023 0.000 1.204 588 L HN 0.707 nan 8.230 nan 0.000 0.424 589 A N 3.655 126.415 122.820 -0.099 0.000 2.276 589 A HA 0.698 5.018 4.320 -0.000 0.000 0.316 589 A C -0.562 176.900 177.584 -0.203 0.000 1.229 589 A CA -0.226 51.772 52.037 -0.065 0.000 0.851 589 A CB 0.112 19.050 19.000 -0.102 0.000 1.165 589 A HN 0.652 nan 8.150 nan 0.000 0.513 590 F N 2.792 122.743 119.950 0.001 0.000 2.739 590 F HA 0.439 4.966 4.527 -0.000 0.000 0.345 590 F C 1.441 177.205 175.800 -0.061 0.000 1.373 590 F CA 0.614 58.635 58.000 0.035 0.000 1.160 590 F CB 0.668 39.727 39.000 0.099 0.000 1.137 590 F HN 1.056 nan 8.300 nan 0.000 0.524 591 G N 0.958 109.742 108.800 -0.027 0.000 2.675 591 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.312 591 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.312 591 G C 0.799 175.568 174.900 -0.218 0.000 1.186 591 G CA 0.803 45.804 45.100 -0.165 0.000 0.965 591 G HN 0.525 nan 8.290 nan 0.000 0.548 592 H N 1.578 120.629 119.070 -0.031 0.000 2.555 592 H HA 0.498 5.054 4.556 -0.000 0.000 0.269 592 H C 1.186 176.428 175.328 -0.143 0.000 0.988 592 H CA 0.868 56.879 56.048 -0.063 0.000 1.178 592 H CB 0.190 29.925 29.762 -0.045 0.000 1.373 592 H HN 0.351 nan 8.280 nan 0.000 0.588 593 S N 0.386 116.003 115.700 -0.137 0.000 2.600 593 S HA 0.514 4.984 4.470 -0.000 0.000 0.300 593 S C -0.649 173.831 174.600 -0.200 0.000 1.087 593 S CA -1.047 56.870 58.200 -0.471 0.000 0.965 593 S CB 2.580 64.948 63.200 -1.388 0.000 1.089 593 S HN 0.455 nan 8.310 nan 0.000 0.496 594 Q N -0.919 118.801 119.800 -0.132 0.000 2.702 594 Q HA 0.735 5.074 4.340 -0.000 0.000 0.289 594 Q C -2.194 173.941 176.000 0.226 0.000 0.923 594 Q CA -0.948 54.970 55.803 0.192 0.000 0.787 594 Q CB 1.537 30.327 28.738 0.087 0.000 1.476 594 Q HN 0.473 nan 8.270 nan 0.000 0.402 595 V N 1.003 121.016 119.914 0.165 0.000 2.638 595 V HA 0.636 4.756 4.120 -0.000 0.000 0.306 595 V C -1.305 174.772 176.094 -0.029 0.000 1.052 595 V CA -0.140 62.169 62.300 0.014 0.000 0.885 595 V CB 2.306 34.003 31.823 -0.209 0.000 0.999 595 V HN 0.928 nan 8.190 nan 0.000 0.424 596 T N 8.131 122.648 114.554 -0.061 0.000 2.743 596 T HA 0.539 4.888 4.350 -0.000 0.000 0.292 596 T C -0.517 174.075 174.700 -0.180 0.000 0.972 596 T CA -0.176 61.861 62.100 -0.106 0.000 0.967 596 T CB 0.829 69.639 68.868 -0.096 0.000 0.926 596 T HN 0.400 nan 8.240 nan 0.000 0.459 597 L N 4.785 125.886 121.223 -0.204 0.000 2.295 597 L HA 0.398 4.738 4.340 -0.000 0.000 0.288 597 L C 0.309 177.043 176.870 -0.226 0.000 1.079 597 L CA -0.039 54.645 54.840 -0.259 0.000 0.830 597 L CB 0.058 41.920 42.059 -0.327 0.000 1.200 597 L HN 0.590 nan 8.230 nan 0.000 0.438 598 I N 3.504 123.900 120.570 -0.289 0.000 2.471 598 I HA 0.261 4.431 4.170 -0.000 0.000 0.286 598 I C 1.337 177.362 176.117 -0.153 0.000 1.079 598 I CA 0.022 61.161 61.300 -0.267 0.000 1.398 598 I CB 0.427 38.138 38.000 -0.483 0.000 1.403 598 I HN 0.853 nan 8.210 nan 0.000 0.530 599 G N 4.367 113.107 108.800 -0.100 0.000 2.176 599 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.252 599 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.252 599 G C -0.229 174.642 174.900 -0.049 0.000 1.024 599 G CA -0.167 44.899 45.100 -0.056 0.000 0.755 599 G HN 0.455 nan 8.290 nan 0.000 0.507 600 V N -0.331 119.546 119.914 -0.060 0.000 2.769 600 V HA 0.845 4.965 4.120 -0.000 0.000 0.312 600 V C 0.336 176.418 176.094 -0.019 0.000 1.061 600 V CA -0.115 62.160 62.300 -0.042 0.000 0.931 600 V CB 2.042 33.819 31.823 -0.077 0.000 1.010 600 V HN 0.614 nan 8.190 nan 0.000 0.433 601 S N 2.049 117.776 115.700 0.046 0.000 2.482 601 S HA 0.439 4.909 4.470 -0.000 0.000 0.303 601 S C 0.536 175.191 174.600 0.092 0.000 1.091 601 S CA -0.567 57.691 58.200 0.097 0.000 1.057 601 S CB 1.437 64.772 63.200 0.226 0.000 1.031 601 S HN 0.691 nan 8.310 nan 0.000 0.485 602 L N 4.091 125.330 121.223 0.027 0.000 2.043 602 L HA -0.058 4.282 4.340 -0.000 0.000 0.212 602 L C 1.963 178.835 176.870 0.003 0.000 1.075 602 L CA 2.654 57.494 54.840 0.000 0.000 0.752 602 L CB -0.838 41.209 42.059 -0.021 0.000 0.891 602 L HN 0.910 nan 8.230 nan 0.000 0.432 603 D N -2.541 117.844 120.400 -0.025 0.000 2.392 603 D HA -0.199 4.441 4.640 -0.000 0.000 0.228 603 D C 1.171 177.359 176.300 -0.188 0.000 1.003 603 D CA 1.078 55.013 54.000 -0.109 0.000 0.917 603 D CB -0.684 40.020 40.800 -0.160 0.000 0.890 603 D HN 0.597 nan 8.370 nan 0.000 0.532 604 H N -0.797 118.284 119.070 0.018 0.000 2.520 604 H HA 0.416 4.972 4.556 -0.000 0.000 0.284 604 H C -0.063 175.305 175.328 0.068 0.000 1.037 604 H CA -0.287 55.785 56.048 0.040 0.000 1.168 604 H CB 0.447 30.236 29.762 0.044 0.000 1.497 604 H HN 0.104 nan 8.280 nan 0.000 0.547 605 I N 0.879 121.524 120.570 0.125 0.000 2.362 605 I HA 0.139 4.309 4.170 -0.000 0.000 0.289 605 I C 0.128 176.297 176.117 0.087 0.000 0.994 605 I CA -0.644 60.730 61.300 0.124 0.000 1.158 605 I CB 1.604 39.641 38.000 0.063 0.000 1.315 605 I HN 0.070 nan 8.210 nan 0.000 0.451 606 S N 3.076 118.839 115.700 0.105 0.000 2.617 606 S HA 0.137 4.607 4.470 -0.000 0.000 0.269 606 S C 1.479 176.122 174.600 0.072 0.000 1.292 606 S CA -0.034 58.210 58.200 0.074 0.000 1.010 606 S CB 1.236 64.480 63.200 0.072 0.000 0.944 606 S HN 0.798 nan 8.310 nan 0.000 0.536 607 T N 0.113 114.699 114.554 0.053 0.000 2.881 607 T HA -0.148 4.202 4.350 -0.000 0.000 0.270 607 T C 1.255 175.989 174.700 0.056 0.000 1.068 607 T CA 1.520 63.650 62.100 0.050 0.000 1.131 607 T CB -0.562 68.329 68.868 0.038 0.000 0.871 607 T HN 0.821 nan 8.240 nan 0.000 0.479 608 D N 0.760 121.195 120.400 0.058 0.000 2.363 608 D HA -0.102 4.538 4.640 -0.000 0.000 0.220 608 D C 1.713 178.057 176.300 0.073 0.000 0.994 608 D CA 0.335 54.369 54.000 0.057 0.000 0.890 608 D CB -0.276 40.553 40.800 0.049 0.000 0.906 608 D HN 0.496 nan 8.370 nan 0.000 0.530 609 Q N 0.068 119.928 119.800 0.100 0.000 2.425 609 Q HA 0.154 4.494 4.340 -0.000 0.000 0.204 609 Q C -0.118 175.978 176.000 0.161 0.000 0.933 609 Q CA 0.177 56.069 55.803 0.149 0.000 0.939 609 Q CB 1.380 30.258 28.738 0.233 0.000 1.044 609 Q HN 0.131 nan 8.270 nan 0.000 0.513 610 V N 0.678 120.660 119.914 0.112 0.000 2.638 610 V HA 0.328 4.448 4.120 -0.000 0.000 0.306 610 V C -0.618 175.506 176.094 0.050 0.000 1.052 610 V CA -0.818 61.549 62.300 0.112 0.000 0.885 610 V CB 2.259 34.164 31.823 0.138 0.000 0.999 610 V HN -0.237 nan 8.190 nan 0.000 0.424 611 V N 6.126 126.041 119.914 0.003 0.000 2.378 611 V HA 0.489 4.609 4.120 -0.000 0.000 0.288 611 V C -0.420 175.667 176.094 -0.012 0.000 1.016 611 V CA -0.382 61.843 62.300 -0.125 0.000 0.840 611 V CB 1.639 33.179 31.823 -0.471 0.000 0.994 611 V HN 0.659 nan 8.190 nan 0.000 0.431 612 L N 5.365 126.595 121.223 0.013 0.000 2.301 612 L HA 0.819 5.158 4.340 -0.000 0.000 0.278 612 L C 0.316 177.219 176.870 0.055 0.000 1.022 612 L CA 0.017 54.906 54.840 0.082 0.000 0.854 612 L CB 1.247 43.343 42.059 0.062 0.000 1.226 612 L HN 0.762 nan 8.230 nan 0.000 0.429 613 A N 0.000 122.855 122.820 0.058 0.000 2.254 613 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 613 A CA 0.000 52.068 52.037 0.052 0.000 0.836 613 A CB 0.000 18.975 19.000 -0.041 0.000 0.831 613 A HN 0.000 nan 8.150 nan 0.000 0.486