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 2qua_1_A 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 0.000 174.484 174.600 -0.193 0.000 1.055 -1 S CA 0.000 58.072 58.200 -0.213 0.000 1.107 -1 S CB 0.000 63.127 63.200 -0.121 0.000 0.593 0 H N 4.919 123.981 119.070 -0.012 0.000 2.722 0 H HA 0.346 4.917 4.556 0.025 0.000 0.328 0 H C 0.636 175.939 175.328 -0.041 0.000 1.067 0 H CA -0.164 55.861 56.048 -0.038 0.000 1.447 0 H CB 0.969 30.706 29.762 -0.042 0.000 1.469 0 H HN 0.558 nan 8.280 nan 0.000 0.544 1 M N 1.167 120.805 119.600 0.063 0.000 2.313 1 M HA 0.185 4.680 4.480 0.025 0.000 0.273 1 M C 0.736 177.033 176.300 -0.004 0.000 1.049 1 M CA 0.117 55.441 55.300 0.040 0.000 1.004 1 M CB 0.244 32.867 32.600 0.038 0.000 1.461 1 M HN 0.851 nan 8.290 nan 0.000 0.514 2 G N 1.506 110.184 108.800 -0.205 0.000 2.788 2 G HA2 -0.153 3.822 3.960 0.025 0.000 0.686 2 G HA3 -0.153 3.822 3.960 0.025 0.000 0.686 2 G C 0.295 174.870 174.900 -0.543 0.000 1.147 2 G CA -0.279 44.438 45.100 -0.639 0.000 0.755 2 G HN 0.377 nan 8.290 nan 0.000 0.634 3 I N 0.540 120.568 120.570 -0.904 0.000 2.335 3 I HA -0.012 4.173 4.170 0.025 0.000 0.251 3 I C 1.713 177.594 176.117 -0.394 0.000 1.129 3 I CA 1.440 62.334 61.300 -0.677 0.000 1.402 3 I CB -0.112 37.330 38.000 -0.929 0.000 1.069 3 I HN 0.428 nan 8.210 nan 0.000 0.424 4 F N 0.668 120.591 119.950 -0.046 0.000 2.660 4 F HA 0.290 4.832 4.527 0.024 0.000 0.297 4 F C 1.325 177.212 175.800 0.145 0.000 1.132 4 F CA -0.483 57.530 58.000 0.023 0.000 1.372 4 F CB -1.386 37.494 39.000 -0.200 0.000 1.003 4 F HN -0.124 nan 8.300 nan 0.000 0.524 5 S N 0.674 116.514 115.700 0.233 0.000 2.558 5 S HA 0.033 4.518 4.470 0.025 0.000 0.291 5 S C -0.899 173.870 174.600 0.281 0.000 1.306 5 S CA 0.156 58.486 58.200 0.217 0.000 1.056 5 S CB 0.138 63.403 63.200 0.108 0.000 0.836 5 S HN 0.342 nan 8.310 nan 0.000 0.504 6 Y N 4.850 125.222 120.300 0.120 0.000 2.386 6 Y HA 0.396 4.960 4.550 0.025 0.000 0.334 6 Y C 0.398 176.346 175.900 0.081 0.000 1.002 6 Y CA -0.589 57.576 58.100 0.108 0.000 1.068 6 Y CB 0.688 39.222 38.460 0.123 0.000 1.203 6 Y HN 1.007 nan 8.280 nan 0.000 0.443 7 K N 1.384 121.495 120.400 -0.481 0.000 1.770 7 K HA -0.296 4.039 4.320 0.025 0.000 0.116 7 K C 0.046 176.577 176.600 -0.115 0.000 1.151 7 K CA 2.141 58.224 56.287 -0.341 0.000 0.383 7 K CB -0.874 31.368 32.500 -0.429 0.000 0.607 7 K HN 0.880 nan 8.250 nan 0.000 0.907 8 D N 1.558 121.918 120.400 -0.066 0.000 2.424 8 D HA 0.156 4.811 4.640 0.025 0.000 0.220 8 D C 0.393 176.710 176.300 0.029 0.000 1.150 8 D CA -0.042 53.950 54.000 -0.014 0.000 0.831 8 D CB -0.231 40.558 40.800 -0.018 0.000 0.981 8 D HN 0.247 nan 8.370 nan 0.000 0.500 9 L N 1.602 122.866 121.223 0.069 0.000 2.483 9 L HA 0.082 4.437 4.340 0.025 0.000 0.276 9 L C 0.736 177.659 176.870 0.088 0.000 1.213 9 L CA -0.244 54.657 54.840 0.103 0.000 0.843 9 L CB 0.232 42.396 42.059 0.175 0.000 1.107 9 L HN 0.090 nan 8.230 nan 0.000 0.487 10 D N -0.209 120.239 120.400 0.079 0.000 2.357 10 D HA -0.025 4.630 4.640 0.025 0.000 0.242 10 D C 0.843 177.203 176.300 0.099 0.000 1.153 10 D CA -0.537 53.508 54.000 0.075 0.000 0.918 10 D CB 0.755 41.591 40.800 0.060 0.000 1.181 10 D HN 0.639 nan 8.370 nan 0.000 0.435 11 E N 0.323 120.586 120.200 0.105 0.000 2.097 11 E HA -0.322 4.043 4.350 0.025 0.000 0.196 11 E C 1.197 177.871 176.600 0.123 0.000 1.000 11 E CA 1.285 57.769 56.400 0.139 0.000 0.804 11 E CB -0.009 29.781 29.700 0.151 0.000 0.740 11 E HN 0.440 nan 8.360 nan 0.000 0.454 12 N N -0.061 118.691 118.700 0.086 0.000 2.331 12 N HA -0.066 4.689 4.740 0.025 0.000 0.180 12 N C 1.451 177.001 175.510 0.065 0.000 1.019 12 N CA 1.077 54.161 53.050 0.058 0.000 0.881 12 N CB -0.210 38.302 38.487 0.042 0.000 0.972 12 N HN 0.271 nan 8.380 nan 0.000 0.435 13 A N 0.301 123.169 122.820 0.080 0.000 1.872 13 A HA -0.034 4.301 4.320 0.025 0.000 0.214 13 A C 2.495 180.149 177.584 0.117 0.000 1.187 13 A CA 1.417 53.505 52.037 0.085 0.000 0.614 13 A CB -0.743 18.308 19.000 0.085 0.000 0.826 13 A HN 0.204 nan 8.150 nan 0.000 0.442 14 S N -0.098 115.693 115.700 0.153 0.000 2.365 14 S HA -0.207 4.279 4.470 0.025 0.000 0.225 14 S C 2.010 176.733 174.600 0.205 0.000 1.039 14 S CA 1.891 60.215 58.200 0.207 0.000 1.033 14 S CB -0.279 63.071 63.200 0.249 0.000 0.887 14 S HN 0.629 nan 8.310 nan 0.000 0.447 15 K N 1.129 121.615 120.400 0.143 0.000 2.026 15 K HA -0.003 4.332 4.320 0.025 0.000 0.208 15 K C 2.443 179.128 176.600 0.141 0.000 1.048 15 K CA 1.172 57.513 56.287 0.091 0.000 0.929 15 K CB -0.356 32.090 32.500 -0.090 0.000 0.713 15 K HN 0.337 nan 8.250 nan 0.000 0.439 16 A N 1.693 124.570 122.820 0.096 0.000 1.908 16 A HA -0.175 4.160 4.320 0.025 0.000 0.218 16 A C 2.149 179.795 177.584 0.102 0.000 1.181 16 A CA 1.358 53.445 52.037 0.084 0.000 0.627 16 A CB -0.545 18.487 19.000 0.054 0.000 0.818 16 A HN 0.275 nan 8.150 nan 0.000 0.445 17 L N -1.659 119.626 121.223 0.104 0.000 2.093 17 L HA -0.033 4.322 4.340 0.025 0.000 0.208 17 L C 2.158 179.060 176.870 0.053 0.000 1.085 17 L CA 2.199 57.075 54.840 0.060 0.000 0.755 17 L CB -0.708 41.359 42.059 0.013 0.000 0.904 17 L HN 0.408 nan 8.230 nan 0.000 0.435 18 F N -0.587 119.354 119.950 -0.015 0.000 2.134 18 F HA -0.179 4.362 4.527 0.024 0.000 0.299 18 F C 2.685 178.477 175.800 -0.014 0.000 1.097 18 F CA 1.699 59.674 58.000 -0.042 0.000 1.264 18 F CB -0.558 38.413 39.000 -0.048 0.000 1.001 18 F HN 0.191 nan 8.300 nan 0.000 0.479 19 S N -0.067 115.689 115.700 0.094 0.000 2.368 19 S HA -0.197 4.288 4.470 0.025 0.000 0.225 19 S C 1.835 176.401 174.600 -0.056 0.000 1.030 19 S CA 1.710 59.917 58.200 0.012 0.000 0.999 19 S CB -0.588 62.672 63.200 0.101 0.000 0.844 19 S HN 0.470 nan 8.310 nan 0.000 0.459 20 D N 1.322 121.739 120.400 0.028 0.000 2.097 20 D HA -0.027 4.628 4.640 0.025 0.000 0.195 20 D C 2.246 178.454 176.300 -0.154 0.000 0.989 20 D CA 1.360 55.419 54.000 0.098 0.000 0.827 20 D CB -0.665 40.298 40.800 0.273 0.000 0.966 20 D HN 0.469 nan 8.370 nan 0.000 0.456 21 A N 0.912 123.617 122.820 -0.193 0.000 1.883 21 A HA -0.166 4.169 4.320 0.025 0.000 0.217 21 A C 2.164 179.653 177.584 -0.159 0.000 1.186 21 A CA 1.155 53.074 52.037 -0.197 0.000 0.624 21 A CB -0.808 18.091 19.000 -0.168 0.000 0.822 21 A HN 0.249 nan 8.150 nan 0.000 0.444 22 L N -0.287 120.741 121.223 -0.326 0.000 2.083 22 L HA -0.054 4.301 4.340 0.025 0.000 0.209 22 L C 2.627 179.277 176.870 -0.366 0.000 1.083 22 L CA 2.063 56.564 54.840 -0.565 0.000 0.752 22 L CB -0.899 40.688 42.059 -0.786 0.000 0.899 22 L HN 0.364 nan 8.230 nan 0.000 0.433 23 A N 0.117 122.786 122.820 -0.252 0.000 1.873 23 A HA -0.161 4.174 4.320 0.025 0.000 0.215 23 A C 2.231 179.703 177.584 -0.186 0.000 1.186 23 A CA 1.931 53.870 52.037 -0.164 0.000 0.616 23 A CB -0.894 18.069 19.000 -0.062 0.000 0.823 23 A HN 0.650 nan 8.150 nan 0.000 0.442 24 I N -3.544 116.849 120.570 -0.295 0.000 2.406 24 I HA -0.046 4.139 4.170 0.025 0.000 0.249 24 I C 2.298 178.300 176.117 -0.192 0.000 1.122 24 I CA 1.648 62.760 61.300 -0.313 0.000 1.431 24 I CB -0.524 37.123 38.000 -0.590 0.000 1.087 24 I HN 0.209 nan 8.210 nan 0.000 0.424 25 S N 1.349 116.939 115.700 -0.183 0.000 2.359 25 S HA -0.198 4.287 4.470 0.025 0.000 0.224 25 S C 2.030 176.569 174.600 -0.101 0.000 1.035 25 S CA 2.594 60.727 58.200 -0.112 0.000 1.018 25 S CB -0.699 62.470 63.200 -0.052 0.000 0.876 25 S HN 0.650 nan 8.310 nan 0.000 0.448 26 T N 0.527 114.997 114.554 -0.140 0.000 2.652 26 T HA -0.135 4.230 4.350 0.025 0.000 0.267 26 T C 1.505 176.191 174.700 -0.023 0.000 1.039 26 T CA 1.676 63.731 62.100 -0.074 0.000 1.153 26 T CB -0.719 68.079 68.868 -0.116 0.000 0.863 26 T HN 0.607 nan 8.240 nan 0.000 0.428 27 Y N 2.307 122.495 120.300 -0.187 0.000 2.241 27 Y HA -0.142 4.423 4.550 0.025 0.000 0.286 27 Y C 2.445 178.126 175.900 -0.366 0.000 1.166 27 Y CA 0.734 58.674 58.100 -0.267 0.000 1.203 27 Y CB -0.769 37.528 38.460 -0.272 0.000 0.977 27 Y HN 0.199 nan 8.280 nan 0.000 0.529 28 A N -0.929 121.676 122.820 -0.357 0.000 2.024 28 A HA -0.229 4.106 4.320 0.025 0.000 0.220 28 A C 1.696 179.083 177.584 -0.329 0.000 1.164 28 A CA 1.706 53.505 52.037 -0.397 0.000 0.643 28 A CB -1.264 17.550 19.000 -0.309 0.000 0.806 28 A HN 0.646 nan 8.150 nan 0.000 0.451 29 Y N -1.158 119.017 120.300 -0.209 0.000 2.546 29 Y HA 0.035 4.599 4.550 0.024 0.000 0.287 29 Y C 0.675 176.549 175.900 -0.043 0.000 1.158 29 Y CA 0.450 58.492 58.100 -0.096 0.000 1.307 29 Y CB -0.256 38.129 38.460 -0.125 0.000 1.036 29 Y HN 0.549 nan 8.280 nan 0.000 0.532 30 H N 0.244 119.225 119.070 -0.149 0.000 2.655 30 H HA -0.250 4.321 4.556 0.025 0.000 0.313 30 H C 0.277 175.585 175.328 -0.033 0.000 1.141 30 H CA 0.702 56.657 56.048 -0.154 0.000 1.138 30 H CB -1.469 28.183 29.762 -0.183 0.000 1.446 30 H HN 0.420 nan 8.280 nan 0.000 0.415 31 N N -0.857 117.872 118.700 0.047 0.000 2.725 31 N HA -0.208 4.547 4.740 0.025 0.000 0.249 31 N C 1.207 176.745 175.510 0.047 0.000 1.103 31 N CA 0.907 53.979 53.050 0.036 0.000 0.707 31 N CB -1.059 37.447 38.487 0.032 0.000 1.043 31 N HN 0.550 nan 8.380 nan 0.000 0.553 32 I N 1.421 122.037 120.570 0.075 0.000 2.335 32 I HA -0.226 3.959 4.170 0.025 0.000 0.251 32 I C 1.601 177.751 176.117 0.056 0.000 1.129 32 I CA 2.003 63.349 61.300 0.076 0.000 1.402 32 I CB 0.009 38.084 38.000 0.124 0.000 1.069 32 I HN 0.245 nan 8.210 nan 0.000 0.424 33 D N -1.299 119.113 120.400 0.020 0.000 2.358 33 D HA -0.093 4.562 4.640 0.025 0.000 0.224 33 D C 1.451 177.769 176.300 0.030 0.000 1.123 33 D CA 0.029 54.067 54.000 0.064 0.000 0.833 33 D CB -1.429 39.395 40.800 0.039 0.000 0.946 33 D HN 0.497 nan 8.370 nan 0.000 0.505 34 N N 1.079 119.779 118.700 -0.000 0.000 2.069 34 N HA -0.168 4.587 4.740 0.025 0.000 0.191 34 N C 1.907 177.391 175.510 -0.043 0.000 1.031 34 N CA 1.649 54.671 53.050 -0.046 0.000 0.852 34 N CB -0.232 38.245 38.487 -0.016 0.000 1.018 34 N HN 0.283 nan 8.380 nan 0.000 0.423 35 G N 0.031 108.841 108.800 0.017 0.000 2.418 35 G HA2 -0.244 3.731 3.960 0.025 0.000 0.217 35 G HA3 -0.244 3.731 3.960 0.025 0.000 0.217 35 G C 1.355 176.270 174.900 0.025 0.000 1.158 35 G CA 0.258 45.371 45.100 0.022 0.000 0.771 35 G HN 0.391 nan 8.290 nan 0.000 0.545 36 F N 1.259 121.176 119.950 -0.055 0.000 2.102 36 F HA -0.091 4.451 4.527 0.025 0.000 0.298 36 F C 2.480 178.150 175.800 -0.215 0.000 1.105 36 F CA 1.584 59.570 58.000 -0.023 0.000 1.239 36 F CB 0.077 39.127 39.000 0.084 0.000 0.991 36 F HN 0.155 nan 8.300 nan 0.000 0.474 37 D N 0.522 120.693 120.400 -0.382 0.000 2.103 37 D HA -0.286 4.369 4.640 0.025 0.000 0.190 37 D C 2.094 178.300 176.300 -0.156 0.000 0.997 37 D CA 1.895 55.299 54.000 -0.992 0.000 0.833 37 D CB -0.439 39.715 40.800 -1.078 0.000 0.961 37 D HN 0.523 nan 8.370 nan 0.000 0.447 38 E N -0.675 119.473 120.200 -0.087 0.000 2.051 38 E HA -0.138 4.227 4.350 0.025 0.000 0.192 38 E C 2.122 178.745 176.600 0.039 0.000 0.991 38 E CA 1.353 57.758 56.400 0.009 0.000 0.799 38 E CB -0.482 29.212 29.700 -0.011 0.000 0.748 38 E HN 0.371 nan 8.360 nan 0.000 0.449 39 G N 0.020 108.816 108.800 -0.006 0.000 2.404 39 G HA2 -0.320 3.655 3.960 0.025 0.000 0.215 39 G HA3 -0.320 3.655 3.960 0.025 0.000 0.215 39 G C 1.383 176.290 174.900 0.013 0.000 1.174 39 G CA 0.909 45.990 45.100 -0.031 0.000 0.780 39 G HN 0.418 nan 8.290 nan 0.000 0.537 40 Y N 1.472 121.736 120.300 -0.059 0.000 2.069 40 Y HA -0.323 4.242 4.550 0.025 0.000 0.278 40 Y C 2.781 178.690 175.900 0.015 0.000 1.175 40 Y CA 2.576 60.707 58.100 0.052 0.000 1.134 40 Y CB -0.716 37.878 38.460 0.224 0.000 0.965 40 Y HN 0.430 nan 8.280 nan 0.000 0.498 41 H N -0.929 118.135 119.070 -0.010 0.000 2.423 41 H HA -0.121 4.451 4.556 0.025 0.000 0.297 41 H C 2.353 177.623 175.328 -0.097 0.000 1.075 41 H CA 1.721 57.714 56.048 -0.092 0.000 1.342 41 H CB -0.054 29.729 29.762 0.035 0.000 1.395 41 H HN 0.466 nan 8.280 nan 0.000 0.530 42 Q N -0.330 119.497 119.800 0.044 0.000 2.123 42 Q HA -0.065 4.290 4.340 0.025 0.000 0.196 42 Q C 1.361 177.354 176.000 -0.010 0.000 0.958 42 Q CA 1.797 57.611 55.803 0.018 0.000 0.841 42 Q CB 0.503 29.252 28.738 0.018 0.000 0.915 42 Q HN 0.584 nan 8.270 nan 0.000 0.455 43 T N -4.599 109.940 114.554 -0.024 0.000 3.016 43 T HA 0.439 4.804 4.350 0.025 0.000 0.271 43 T C 0.759 175.464 174.700 0.007 0.000 0.968 43 T CA 0.308 62.404 62.100 -0.007 0.000 0.891 43 T CB 1.123 69.992 68.868 0.000 0.000 1.149 43 T HN 0.459 nan 8.240 nan 0.000 0.524 44 G N 1.719 110.494 108.800 -0.042 0.000 2.542 44 G HA2 -0.130 3.845 3.960 0.025 0.000 0.235 44 G HA3 -0.130 3.845 3.960 0.025 0.000 0.235 44 G C -0.302 174.785 174.900 0.312 0.000 1.286 44 G CA 0.002 45.097 45.100 -0.009 0.000 0.904 44 G HN 0.458 nan 8.290 nan 0.000 0.577 45 F N 2.146 122.224 119.950 0.213 0.000 2.817 45 F HA 0.538 5.079 4.527 0.024 0.000 0.319 45 F C 1.335 177.445 175.800 0.516 0.000 1.136 45 F CA 1.010 59.231 58.000 0.369 0.000 1.177 45 F CB 0.412 39.660 39.000 0.414 0.000 1.088 45 F HN 0.836 nan 8.300 nan 0.000 0.520 46 G N 0.133 109.139 108.800 0.344 0.000 3.434 46 G HA2 0.173 4.148 3.960 0.025 0.000 0.197 46 G HA3 0.173 4.148 3.960 0.025 0.000 0.197 46 G C 0.999 175.953 174.900 0.089 0.000 1.559 46 G CA -0.211 45.026 45.100 0.228 0.000 0.852 46 G HN 0.066 nan 8.290 nan 0.000 0.682 47 L N 1.148 122.397 121.223 0.043 0.000 2.265 47 L HA 0.057 4.412 4.340 0.025 0.000 0.215 47 L C 2.697 179.580 176.870 0.022 0.000 1.117 47 L CA 0.967 55.815 54.840 0.012 0.000 0.782 47 L CB -0.226 41.834 42.059 0.002 0.000 0.914 47 L HN 0.496 nan 8.230 nan 0.000 0.441 48 G N -0.793 108.033 108.800 0.042 0.000 2.985 48 G HA2 -0.084 3.891 3.960 0.025 0.000 0.209 48 G HA3 -0.084 3.891 3.960 0.025 0.000 0.209 48 G C 1.416 176.337 174.900 0.035 0.000 1.165 48 G CA -0.226 44.894 45.100 0.033 0.000 0.776 48 G HN 0.147 nan 8.290 nan 0.000 0.541 49 L N 1.749 122.999 121.223 0.045 0.000 2.043 49 L HA -0.002 4.353 4.340 0.025 0.000 0.212 49 L C -0.021 176.845 176.870 -0.007 0.000 1.075 49 L CA 2.069 56.918 54.840 0.015 0.000 0.752 49 L CB -0.940 41.094 42.059 -0.041 0.000 0.891 49 L HN 0.056 nan 8.230 nan 0.000 0.432 50 P HA -0.172 nan 4.420 nan 0.000 0.216 50 P C 2.050 179.342 177.300 -0.013 0.000 1.150 50 P CA 1.549 64.646 63.100 -0.006 0.000 0.837 50 P CB -0.066 31.633 31.700 -0.002 0.000 0.786 51 L N -1.717 119.499 121.223 -0.012 0.000 2.056 51 L HA -0.118 4.237 4.340 0.025 0.000 0.207 51 L C 2.317 179.163 176.870 -0.039 0.000 1.078 51 L CA 1.655 56.485 54.840 -0.017 0.000 0.749 51 L CB -1.862 40.191 42.059 -0.010 0.000 0.901 51 L HN 0.003 nan 8.230 nan 0.000 0.433 52 T N 0.848 115.374 114.554 -0.048 0.000 2.665 52 T HA -0.183 4.182 4.350 0.025 0.000 0.268 52 T C 2.017 176.583 174.700 -0.224 0.000 1.035 52 T CA 1.405 63.433 62.100 -0.120 0.000 1.151 52 T CB -0.284 68.548 68.868 -0.061 0.000 0.862 52 T HN 0.200 nan 8.240 nan 0.000 0.438 53 L N -0.072 121.064 121.223 -0.145 0.000 2.093 53 L HA -0.017 4.338 4.340 0.025 0.000 0.208 53 L C 2.403 179.235 176.870 -0.063 0.000 1.085 53 L CA 1.085 55.856 54.840 -0.116 0.000 0.755 53 L CB -0.531 41.515 42.059 -0.020 0.000 0.904 53 L HN 0.281 nan 8.230 nan 0.000 0.435 54 I N -0.643 119.904 120.570 -0.039 0.000 2.202 54 I HA -0.240 3.945 4.170 0.025 0.000 0.242 54 I C 2.470 178.584 176.117 -0.006 0.000 1.091 54 I CA 1.385 62.680 61.300 -0.007 0.000 1.368 54 I CB -0.473 37.527 38.000 0.001 0.000 1.058 54 I HN 0.182 nan 8.210 nan 0.000 0.410 55 T N 0.826 115.362 114.554 -0.031 0.000 2.803 55 T HA -0.167 4.198 4.350 0.025 0.000 0.269 55 T C 1.994 176.681 174.700 -0.022 0.000 1.052 55 T CA 1.376 63.465 62.100 -0.019 0.000 1.136 55 T CB -0.315 68.531 68.868 -0.036 0.000 0.864 55 T HN 0.477 nan 8.240 nan 0.000 0.467 56 A N 0.775 123.550 122.820 -0.076 0.000 2.015 56 A HA 0.092 4.427 4.320 0.025 0.000 0.219 56 A C 2.201 179.826 177.584 0.069 0.000 1.163 56 A CA 0.988 53.022 52.037 -0.004 0.000 0.646 56 A CB -0.558 18.408 19.000 -0.056 0.000 0.806 56 A HN 0.497 nan 8.150 nan 0.000 0.448 57 L N -1.043 120.209 121.223 0.047 0.000 2.168 57 L HA 0.129 4.484 4.340 0.025 0.000 0.203 57 L C 2.030 178.934 176.870 0.057 0.000 1.078 57 L CA 1.214 56.090 54.840 0.060 0.000 0.780 57 L CB -0.156 41.934 42.059 0.053 0.000 0.939 57 L HN 0.618 nan 8.230 nan 0.000 0.451 58 I N -4.344 116.265 120.570 0.064 0.000 4.240 58 I HA 0.494 4.679 4.170 0.025 0.000 0.331 58 I C 1.063 177.245 176.117 0.110 0.000 1.381 58 I CA 0.026 61.380 61.300 0.090 0.000 1.136 58 I CB 0.151 38.234 38.000 0.137 0.000 1.137 58 I HN 0.168 nan 8.210 nan 0.000 0.411 59 G N 2.770 111.616 108.800 0.078 0.000 2.566 59 G HA2 -0.266 3.709 3.960 0.025 0.000 0.280 59 G HA3 -0.266 3.709 3.960 0.025 0.000 0.280 59 G C -0.042 174.926 174.900 0.114 0.000 1.225 59 G CA 0.862 46.007 45.100 0.074 0.000 0.966 59 G HN 1.160 nan 8.290 nan 0.000 0.560 60 S N -4.157 111.624 115.700 0.134 0.000 2.815 60 S HA 0.650 5.135 4.470 0.025 0.000 0.296 60 S C 1.103 175.823 174.600 0.201 0.000 1.224 60 S CA 0.916 59.212 58.200 0.160 0.000 0.938 60 S CB 0.794 64.041 63.200 0.079 0.000 1.285 60 S HN 2.276 nan 8.310 nan 0.000 0.549 61 T N -1.102 113.547 114.554 0.159 0.000 3.072 61 T HA 0.120 4.485 4.350 0.025 0.000 0.266 61 T C 1.046 175.796 174.700 0.084 0.000 1.127 61 T CA 0.984 63.172 62.100 0.145 0.000 1.107 61 T CB -0.496 68.435 68.868 0.105 0.000 0.910 61 T HN 0.589 nan 8.240 nan 0.000 0.513 62 Q N 0.777 120.614 119.800 0.062 0.000 2.246 62 Q HA 0.282 4.637 4.340 0.025 0.000 0.222 62 Q C 0.384 176.398 176.000 0.024 0.000 0.851 62 Q CA -0.043 55.781 55.803 0.034 0.000 0.945 62 Q CB 0.855 29.605 28.738 0.020 0.000 1.122 62 Q HN 0.656 nan 8.270 nan 0.000 0.508 63 S N -0.644 115.076 115.700 0.034 0.000 2.570 63 S HA 0.372 4.857 4.470 0.025 0.000 0.270 63 S C -1.453 173.163 174.600 0.027 0.000 1.149 63 S CA -0.914 57.297 58.200 0.018 0.000 0.837 63 S CB 2.240 65.441 63.200 0.003 0.000 1.124 63 S HN 0.098 nan 8.310 nan 0.000 0.465 64 Q N 0.928 120.736 119.800 0.014 0.000 2.333 64 Q HA 0.593 4.948 4.340 0.025 0.000 0.268 64 Q C 0.375 176.388 176.000 0.021 0.000 1.007 64 Q CA -0.642 55.166 55.803 0.008 0.000 0.810 64 Q CB 1.340 30.074 28.738 -0.006 0.000 1.264 64 Q HN 1.001 nan 8.270 nan 0.000 0.452 65 G N 1.465 110.282 108.800 0.028 0.000 2.504 65 G HA2 0.262 4.237 3.960 0.025 0.000 0.257 65 G HA3 0.262 4.237 3.960 0.025 0.000 0.257 65 G C 0.699 175.627 174.900 0.046 0.000 1.451 65 G CA -0.044 45.084 45.100 0.047 0.000 1.059 65 G HN 0.793 nan 8.290 nan 0.000 0.550 66 G N -1.135 107.702 108.800 0.062 0.000 2.443 66 G HA2 0.032 4.007 3.960 0.025 0.000 0.219 66 G HA3 0.032 4.007 3.960 0.025 0.000 0.219 66 G C 0.695 175.616 174.900 0.034 0.000 1.131 66 G CA 0.273 45.408 45.100 0.059 0.000 0.775 66 G HN 0.358 nan 8.290 nan 0.000 0.547 67 L N 2.671 123.907 121.223 0.022 0.000 2.319 67 L HA 0.396 4.751 4.340 0.025 0.000 0.280 67 L C -1.702 175.149 176.870 -0.031 0.000 1.099 67 L CA -2.086 52.754 54.840 0.000 0.000 0.828 67 L CB 1.153 43.213 42.059 0.002 0.000 1.150 67 L HN -0.050 nan 8.230 nan 0.000 0.442 68 P HA 0.299 nan 4.420 nan 0.000 0.278 68 P C 0.241 177.480 177.300 -0.101 0.000 1.266 68 P CA 0.055 63.119 63.100 -0.061 0.000 0.807 68 P CB 1.016 32.692 31.700 -0.040 0.000 1.094 69 G N -0.505 108.221 108.800 -0.122 0.000 2.155 69 G HA2 -0.218 3.757 3.960 0.025 0.000 0.257 69 G HA3 -0.218 3.757 3.960 0.025 0.000 0.257 69 G C -0.160 174.579 174.900 -0.267 0.000 0.983 69 G CA 0.029 45.038 45.100 -0.152 0.000 0.676 69 G HN 0.452 nan 8.290 nan 0.000 0.528 70 L N 0.944 121.931 121.223 -0.394 0.000 2.260 70 L HA 0.327 4.682 4.340 0.025 0.000 0.289 70 L C -0.570 175.808 176.870 -0.821 0.000 1.057 70 L CA -2.006 52.343 54.840 -0.818 0.000 0.811 70 L CB 1.378 42.834 42.059 -1.006 0.000 1.184 70 L HN -0.074 nan 8.230 nan 0.000 0.429 71 P HA -0.118 nan 4.420 nan 0.000 0.233 71 P C 0.832 178.047 177.300 -0.142 0.000 1.167 71 P CA 0.805 63.729 63.100 -0.295 0.000 0.770 71 P CB 0.003 31.638 31.700 -0.107 0.000 0.837 72 W N -0.185 121.118 121.300 0.005 0.000 3.197 72 W HA 0.268 4.943 4.660 0.025 0.000 0.274 72 W C 0.117 176.639 176.519 0.004 0.000 1.297 72 W CA -0.662 56.685 57.345 0.004 0.000 1.662 72 W CB -1.920 27.542 29.460 0.002 0.000 1.106 72 W HN -0.220 nan 8.180 nan 0.000 0.663 73 N N 3.576 122.181 118.700 -0.157 0.000 2.525 73 N HA 0.142 4.897 4.740 0.025 0.000 0.271 73 N C -2.015 173.484 175.510 -0.018 0.000 1.194 73 N CA -1.449 51.573 53.050 -0.046 0.000 0.964 73 N CB 0.543 38.955 38.487 -0.126 0.000 1.126 73 N HN -0.197 nan 8.380 nan 0.000 0.452 74 P HA -0.006 nan 4.420 nan 0.000 0.274 74 P C -0.917 176.379 177.300 -0.007 0.000 1.256 74 P CA -0.125 62.980 63.100 0.008 0.000 0.795 74 P CB 0.587 32.297 31.700 0.017 0.000 1.038 75 D N 0.457 120.857 120.400 -0.000 0.000 2.470 75 D HA 0.023 4.678 4.640 0.025 0.000 0.226 75 D C 1.283 177.593 176.300 0.017 0.000 1.196 75 D CA 0.058 54.060 54.000 0.003 0.000 0.979 75 D CB -0.148 40.656 40.800 0.007 0.000 1.059 75 D HN 0.218 nan 8.370 nan 0.000 0.515 76 S N 2.567 118.276 115.700 0.016 0.000 2.481 76 S HA -0.092 4.393 4.470 0.025 0.000 0.231 76 S C 1.321 175.952 174.600 0.050 0.000 0.996 76 S CA 0.325 58.542 58.200 0.027 0.000 0.942 76 S CB 0.011 63.223 63.200 0.021 0.000 0.768 76 S HN 0.417 nan 8.310 nan 0.000 0.520 77 E N 1.132 121.369 120.200 0.061 0.000 2.072 77 E HA -0.134 4.231 4.350 0.025 0.000 0.191 77 E C 2.130 178.801 176.600 0.118 0.000 0.985 77 E CA 0.818 57.282 56.400 0.108 0.000 0.801 77 E CB -0.390 29.370 29.700 0.100 0.000 0.750 77 E HN 0.560 nan 8.360 nan 0.000 0.452 78 Q N 0.878 120.725 119.800 0.079 0.000 2.079 78 Q HA -0.087 4.268 4.340 0.025 0.000 0.200 78 Q C 2.073 178.113 176.000 0.066 0.000 0.974 78 Q CA 1.428 57.274 55.803 0.071 0.000 0.840 78 Q CB -0.123 28.641 28.738 0.044 0.000 0.898 78 Q HN 0.208 nan 8.270 nan 0.000 0.430 79 A N 0.660 123.512 122.820 0.054 0.000 1.933 79 A HA -0.093 4.242 4.320 0.025 0.000 0.218 79 A C 2.307 179.929 177.584 0.063 0.000 1.175 79 A CA 1.900 53.964 52.037 0.045 0.000 0.628 79 A CB -0.759 18.259 19.000 0.030 0.000 0.814 79 A HN 0.468 nan 8.150 nan 0.000 0.444 80 A N -0.687 122.187 122.820 0.090 0.000 1.902 80 A HA -0.231 4.104 4.320 0.025 0.000 0.217 80 A C 2.216 179.930 177.584 0.218 0.000 1.181 80 A CA 1.865 53.980 52.037 0.130 0.000 0.623 80 A CB -0.580 18.463 19.000 0.072 0.000 0.818 80 A HN 0.682 nan 8.150 nan 0.000 0.443 81 Q N -0.561 119.370 119.800 0.219 0.000 2.079 81 Q HA -0.204 4.151 4.340 0.025 0.000 0.200 81 Q C 2.046 178.049 176.000 0.004 0.000 0.974 81 Q CA 1.631 57.511 55.803 0.129 0.000 0.840 81 Q CB -0.193 28.641 28.738 0.160 0.000 0.898 81 Q HN 0.775 nan 8.270 nan 0.000 0.430 82 E N -0.253 119.966 120.200 0.032 0.000 2.058 82 E HA -0.247 4.118 4.350 0.025 0.000 0.194 82 E C 1.842 178.442 176.600 0.000 0.000 0.997 82 E CA 1.176 57.582 56.400 0.011 0.000 0.801 82 E CB -0.170 29.542 29.700 0.020 0.000 0.746 82 E HN 0.500 nan 8.360 nan 0.000 0.450 83 A N 0.509 123.337 122.820 0.012 0.000 1.877 83 A HA -0.158 4.177 4.320 0.025 0.000 0.216 83 A C 2.385 179.964 177.584 -0.009 0.000 1.186 83 A CA 1.519 53.561 52.037 0.009 0.000 0.620 83 A CB -0.822 18.191 19.000 0.022 0.000 0.822 83 A HN 0.293 nan 8.150 nan 0.000 0.443 84 V N 0.637 120.516 119.914 -0.059 0.000 2.515 84 V HA -0.231 3.904 4.120 0.025 0.000 0.250 84 V C 1.968 178.046 176.094 -0.026 0.000 1.058 84 V CA 2.352 64.586 62.300 -0.110 0.000 1.064 84 V CB -0.864 30.689 31.823 -0.449 0.000 0.675 84 V HN 0.686 nan 8.190 nan 0.000 0.461 85 N N 0.151 118.816 118.700 -0.059 0.000 2.270 85 N HA -0.120 4.635 4.740 0.025 0.000 0.181 85 N C 1.453 176.953 175.510 -0.016 0.000 1.016 85 N CA 1.115 54.148 53.050 -0.027 0.000 0.870 85 N CB -0.120 38.346 38.487 -0.036 0.000 0.979 85 N HN 0.449 nan 8.380 nan 0.000 0.431 86 N N 1.212 119.906 118.700 -0.010 0.000 2.309 86 N HA -0.050 4.705 4.740 0.025 0.000 0.182 86 N C 1.324 176.832 175.510 -0.003 0.000 1.018 86 N CA 0.526 53.571 53.050 -0.009 0.000 0.876 86 N CB -0.169 38.317 38.487 -0.002 0.000 0.972 86 N HN 0.201 nan 8.380 nan 0.000 0.434 87 A N -0.235 122.605 122.820 0.033 0.000 2.206 87 A HA 0.348 4.683 4.320 0.025 0.000 0.211 87 A C 1.475 179.051 177.584 -0.013 0.000 1.158 87 A CA 1.046 53.128 52.037 0.075 0.000 0.761 87 A CB -0.261 18.849 19.000 0.183 0.000 0.801 87 A HN 0.337 nan 8.150 nan 0.000 0.473 88 G N -3.373 105.360 108.800 -0.112 0.000 2.168 88 G HA2 -0.210 3.765 3.960 0.025 0.000 0.197 88 G HA3 -0.210 3.765 3.960 0.025 0.000 0.197 88 G C -0.295 174.289 174.900 -0.526 0.000 0.997 88 G CA -0.175 44.717 45.100 -0.346 0.000 0.658 88 G HN 0.409 nan 8.290 nan 0.000 0.513 89 W N 1.206 122.455 121.300 -0.085 0.000 2.627 89 W HA 0.704 5.379 4.660 0.026 0.000 0.339 89 W C 0.392 176.851 176.519 -0.100 0.000 1.058 89 W CA -0.191 57.092 57.345 -0.103 0.000 1.223 89 W CB 2.070 31.427 29.460 -0.171 0.000 1.389 89 W HN 0.494 nan 8.180 nan 0.000 0.541 90 S N 0.085 115.920 115.700 0.224 0.000 2.541 90 S HA 0.597 5.082 4.470 0.025 0.000 0.280 90 S C -0.957 173.721 174.600 0.129 0.000 1.112 90 S CA -1.065 57.206 58.200 0.119 0.000 0.925 90 S CB 1.089 64.361 63.200 0.119 0.000 1.067 90 S HN 0.237 nan 8.310 nan 0.000 0.479 91 V N 2.731 122.675 119.914 0.051 0.000 2.694 91 V HA 0.110 4.245 4.120 0.025 0.000 0.306 91 V C 0.161 176.309 176.094 0.090 0.000 1.054 91 V CA 0.189 62.533 62.300 0.073 0.000 1.161 91 V CB -0.097 31.781 31.823 0.092 0.000 0.916 91 V HN 0.770 nan 8.190 nan 0.000 0.490 92 I N 4.419 125.032 120.570 0.072 0.000 2.353 92 I HA 0.306 4.491 4.170 0.025 0.000 0.293 92 I C 0.686 176.833 176.117 0.049 0.000 0.992 92 I CA -0.016 61.294 61.300 0.018 0.000 1.268 92 I CB 1.744 39.653 38.000 -0.152 0.000 1.387 92 I HN 0.789 nan 8.210 nan 0.000 0.478 93 S N 4.620 120.339 115.700 0.031 0.000 2.617 93 S HA 0.404 4.889 4.470 0.025 0.000 0.269 93 S C 1.163 175.827 174.600 0.107 0.000 1.292 93 S CA -0.181 58.048 58.200 0.049 0.000 1.010 93 S CB 1.717 64.936 63.200 0.032 0.000 0.944 93 S HN 0.734 nan 8.310 nan 0.000 0.536 94 A N 1.956 124.860 122.820 0.140 0.000 1.940 94 A HA -0.034 4.301 4.320 0.025 0.000 0.219 94 A C 2.218 179.906 177.584 0.174 0.000 1.176 94 A CA 2.168 54.365 52.037 0.267 0.000 0.631 94 A CB -1.896 17.265 19.000 0.270 0.000 0.814 94 A HN 0.905 nan 8.150 nan 0.000 0.446 95 T N 0.093 114.711 114.554 0.107 0.000 2.708 95 T HA -0.193 4.172 4.350 0.025 0.000 0.266 95 T C 2.035 176.797 174.700 0.103 0.000 1.037 95 T CA 1.738 63.894 62.100 0.092 0.000 1.146 95 T CB -0.298 68.610 68.868 0.067 0.000 0.865 95 T HN 0.645 nan 8.240 nan 0.000 0.435 96 Q N 0.316 120.165 119.800 0.083 0.000 2.135 96 Q HA 0.002 4.357 4.340 0.025 0.000 0.204 96 Q C 2.232 178.285 176.000 0.087 0.000 0.981 96 Q CA 1.099 56.966 55.803 0.107 0.000 0.856 96 Q CB -0.319 28.439 28.738 0.034 0.000 0.902 96 Q HN 0.479 nan 8.270 nan 0.000 0.425 97 L N -1.046 120.158 121.223 -0.032 0.000 2.418 97 L HA 0.112 4.467 4.340 0.025 0.000 0.218 97 L C 1.172 178.129 176.870 0.146 0.000 1.125 97 L CA 0.349 55.177 54.840 -0.019 0.000 0.835 97 L CB -0.138 41.860 42.059 -0.102 0.000 0.953 97 L HN 0.374 nan 8.230 nan 0.000 0.454 98 G N -0.021 108.873 108.800 0.157 0.000 2.273 98 G HA2 -0.358 3.617 3.960 0.025 0.000 0.280 98 G HA3 -0.358 3.617 3.960 0.025 0.000 0.280 98 G C -0.068 174.943 174.900 0.185 0.000 1.047 98 G CA 0.022 45.212 45.100 0.151 0.000 0.869 98 G HN 0.329 nan 8.290 nan 0.000 0.502 99 Y N 0.220 120.570 120.300 0.083 0.000 2.359 99 Y HA 0.507 5.072 4.550 0.025 0.000 0.334 99 Y C 1.088 177.050 175.900 0.104 0.000 1.058 99 Y CA -0.424 57.738 58.100 0.103 0.000 1.244 99 Y CB 1.205 39.760 38.460 0.159 0.000 1.187 99 Y HN 0.325 nan 8.280 nan 0.000 0.510 100 A N 4.715 127.278 122.820 -0.430 0.000 2.275 100 A HA 0.319 4.654 4.320 0.025 0.000 0.212 100 A C 1.230 178.515 177.584 -0.499 0.000 1.201 100 A CA 0.499 52.333 52.037 -0.338 0.000 0.843 100 A CB -0.854 18.034 19.000 -0.188 0.000 0.873 100 A HN 0.910 nan 8.150 nan 0.000 0.492 101 G N -0.158 107.951 108.800 -1.151 0.000 2.494 101 G HA2 0.381 4.356 3.960 0.025 0.000 0.270 101 G HA3 0.381 4.356 3.960 0.025 0.000 0.270 101 G C -0.079 174.768 174.900 -0.089 0.000 1.423 101 G CA -0.534 44.181 45.100 -0.642 0.000 1.055 101 G HN 0.381 nan 8.290 nan 0.000 0.536 102 K N -0.328 120.184 120.400 0.187 0.000 2.185 102 K HA 0.524 4.859 4.320 0.025 0.000 0.269 102 K C -0.463 176.273 176.600 0.226 0.000 0.987 102 K CA -0.430 55.934 56.287 0.128 0.000 0.865 102 K CB 1.042 33.557 32.500 0.025 0.000 1.090 102 K HN 0.622 nan 8.250 nan 0.000 0.450 103 T N 0.082 114.665 114.554 0.048 0.000 2.901 103 T HA 0.391 4.756 4.350 0.025 0.000 0.293 103 T C -0.572 174.076 174.700 -0.086 0.000 1.084 103 T CA -0.957 61.136 62.100 -0.011 0.000 1.008 103 T CB 1.468 70.216 68.868 -0.199 0.000 1.170 103 T HN 0.677 nan 8.240 nan 0.000 0.509 104 D N 0.137 120.538 120.400 0.002 0.000 2.549 104 D HA 0.571 5.226 4.640 0.025 0.000 0.270 104 D C 1.460 177.739 176.300 -0.035 0.000 1.181 104 D CA -0.609 53.369 54.000 -0.036 0.000 1.070 104 D CB 0.430 41.268 40.800 0.063 0.000 1.154 104 D HN 0.668 nan 8.370 nan 0.000 0.602 105 A N -0.722 122.079 122.820 -0.033 0.000 2.121 105 A HA -0.098 4.237 4.320 0.025 0.000 0.218 105 A C 1.781 179.356 177.584 -0.014 0.000 1.154 105 A CA 0.770 52.791 52.037 -0.027 0.000 0.679 105 A CB -0.567 18.419 19.000 -0.025 0.000 0.795 105 A HN 0.489 nan 8.150 nan 0.000 0.458 106 R N -1.306 119.185 120.500 -0.015 0.000 2.334 106 R HA 0.230 4.585 4.340 0.025 0.000 0.220 106 R C 1.165 177.487 176.300 0.037 0.000 0.917 106 R CA 0.480 56.589 56.100 0.014 0.000 1.073 106 R CB -0.001 30.275 30.300 -0.041 0.000 1.056 106 R HN 0.609 nan 8.270 nan 0.000 0.506 107 G N 1.143 109.926 108.800 -0.027 0.000 2.159 107 G HA2 -0.274 3.701 3.960 0.025 0.000 0.256 107 G HA3 -0.274 3.701 3.960 0.025 0.000 0.256 107 G C 0.253 175.033 174.900 -0.200 0.000 0.977 107 G CA 0.370 45.405 45.100 -0.108 0.000 0.652 107 G HN 0.304 nan 8.290 nan 0.000 0.531 108 T N 0.657 115.168 114.554 -0.072 0.000 2.884 108 T HA 0.483 4.848 4.350 0.025 0.000 0.298 108 T C 0.019 174.713 174.700 -0.010 0.000 0.998 108 T CA 0.241 62.324 62.100 -0.028 0.000 1.124 108 T CB 0.720 69.562 68.868 -0.042 0.000 0.931 108 T HN 0.220 nan 8.240 nan 0.000 0.531 109 Y N 1.343 121.695 120.300 0.087 0.000 2.334 109 Y HA 0.441 5.006 4.550 0.025 0.000 0.328 109 Y C -0.001 176.113 175.900 0.356 0.000 1.130 109 Y CA -0.746 57.488 58.100 0.223 0.000 1.163 109 Y CB 0.809 39.247 38.460 -0.036 0.000 1.207 109 Y HN 0.585 nan 8.280 nan 0.000 0.471 110 Y N 0.245 120.833 120.300 0.479 0.000 2.446 110 Y HA 0.495 5.060 4.550 0.025 0.000 0.338 110 Y C 0.875 176.957 175.900 0.304 0.000 1.055 110 Y CA -1.449 56.879 58.100 0.381 0.000 1.101 110 Y CB 1.516 40.093 38.460 0.196 0.000 1.221 110 Y HN 0.788 nan 8.280 nan 0.000 0.460 111 G N 1.363 110.215 108.800 0.087 0.000 2.368 111 G HA2 -0.033 3.942 3.960 0.025 0.000 0.233 111 G HA3 -0.033 3.942 3.960 0.025 0.000 0.233 111 G C 0.159 175.013 174.900 -0.077 0.000 1.267 111 G CA -0.171 44.718 45.100 -0.352 0.000 0.873 111 G HN 0.916 nan 8.290 nan 0.000 0.539 112 E N -0.027 120.084 120.200 -0.149 0.000 2.364 112 E HA 0.049 4.414 4.350 0.025 0.000 0.196 112 E C 0.689 177.282 176.600 -0.013 0.000 0.990 112 E CA 0.528 56.924 56.400 -0.006 0.000 0.886 112 E CB 0.480 30.199 29.700 0.031 0.000 0.866 112 E HN 0.434 nan 8.360 nan 0.000 0.493 113 T N 0.938 115.470 114.554 -0.036 0.000 2.855 113 T HA 0.510 4.875 4.350 0.025 0.000 0.281 113 T C -0.287 174.497 174.700 0.140 0.000 1.007 113 T CA -0.715 61.403 62.100 0.030 0.000 1.009 113 T CB 1.644 70.483 68.868 -0.047 0.000 0.983 113 T HN 0.110 nan 8.240 nan 0.000 0.455 114 A N 1.314 124.199 122.820 0.109 0.000 2.567 114 A HA 0.487 4.822 4.320 0.025 0.000 0.240 114 A C 1.552 179.203 177.584 0.112 0.000 1.053 114 A CA 0.611 52.701 52.037 0.089 0.000 0.755 114 A CB -0.976 18.058 19.000 0.057 0.000 0.978 114 A HN 1.666 nan 8.150 nan 0.000 0.507 115 G N 0.809 109.609 108.800 0.000 0.000 2.195 115 G HA2 -0.251 3.724 3.960 0.025 0.000 0.224 115 G HA3 -0.251 3.724 3.960 0.025 0.000 0.224 115 G C 0.212 174.817 174.900 -0.492 0.000 0.990 115 G CA 0.744 45.713 45.100 -0.218 0.000 0.639 115 G HN 0.990 nan 8.290 nan 0.000 0.514 116 Y N 0.438 120.712 120.300 -0.043 0.000 2.672 116 Y HA 0.251 4.816 4.550 0.025 0.000 0.252 116 Y C 2.322 178.151 175.900 -0.119 0.000 1.132 116 Y CA 0.679 58.698 58.100 -0.135 0.000 1.228 116 Y CB 0.410 38.672 38.460 -0.330 0.000 1.310 116 Y HN 0.325 nan 8.280 nan 0.000 0.549 117 T N -3.537 111.061 114.554 0.073 0.000 3.113 117 T HA -0.112 4.253 4.350 0.025 0.000 0.263 117 T C 1.569 176.362 174.700 0.156 0.000 1.143 117 T CA 1.397 63.559 62.100 0.104 0.000 1.090 117 T CB -0.453 68.472 68.868 0.096 0.000 0.922 117 T HN 0.363 nan 8.240 nan 0.000 0.521 118 T N -1.035 113.588 114.554 0.114 0.000 3.122 118 T HA 0.624 4.989 4.350 0.025 0.000 0.250 118 T C 0.760 175.522 174.700 0.102 0.000 1.067 118 T CA -0.144 62.030 62.100 0.123 0.000 0.966 118 T CB -0.222 68.707 68.868 0.102 0.000 1.002 118 T HN 0.525 nan 8.240 nan 0.000 0.542 119 A N 1.189 124.068 122.820 0.099 0.000 2.425 119 A HA 0.641 4.976 4.320 0.025 0.000 0.249 119 A C -0.101 177.601 177.584 0.198 0.000 1.084 119 A CA -0.408 51.722 52.037 0.156 0.000 0.781 119 A CB 0.322 19.288 19.000 -0.056 0.000 1.019 119 A HN 0.521 nan 8.150 nan 0.000 0.490 120 Q N -0.492 119.474 119.800 0.277 0.000 2.375 120 Q HA 0.708 5.063 4.340 0.025 0.000 0.271 120 Q C -0.651 175.462 176.000 0.188 0.000 1.074 120 Q CA 0.012 55.893 55.803 0.131 0.000 0.808 120 Q CB 2.351 30.987 28.738 -0.170 0.000 1.327 120 Q HN 1.103 nan 8.270 nan 0.000 0.441 121 A N 1.710 124.494 122.820 -0.060 0.000 2.498 121 A HA 0.828 5.163 4.320 0.025 0.000 0.298 121 A C -1.279 176.193 177.584 -0.187 0.000 1.075 121 A CA -0.732 51.085 52.037 -0.366 0.000 0.714 121 A CB 1.509 19.815 19.000 -1.157 0.000 1.299 121 A HN 0.545 nan 8.150 nan 0.000 0.407 122 E N 0.595 120.650 120.200 -0.241 0.000 2.199 122 E HA 0.538 4.903 4.350 0.025 0.000 0.269 122 E C -1.339 175.131 176.600 -0.216 0.000 0.899 122 E CA -0.610 55.748 56.400 -0.070 0.000 0.772 122 E CB 2.171 31.881 29.700 0.017 0.000 1.155 122 E HN 0.320 nan 8.360 nan 0.000 0.408 123 V N 4.031 123.894 119.914 -0.085 0.000 2.407 123 V HA 0.422 4.557 4.120 0.025 0.000 0.291 123 V C -0.413 175.630 176.094 -0.085 0.000 1.018 123 V CA -0.634 61.538 62.300 -0.213 0.000 0.842 123 V CB 0.937 32.531 31.823 -0.382 0.000 0.996 123 V HN 0.457 nan 8.190 nan 0.000 0.426 124 L N 3.533 124.687 121.223 -0.116 0.000 2.283 124 L HA 1.030 5.385 4.340 0.025 0.000 0.259 124 L C 0.466 177.452 176.870 0.193 0.000 1.027 124 L CA -0.297 54.564 54.840 0.035 0.000 0.828 124 L CB 2.040 44.099 42.059 -0.001 0.000 1.380 124 L HN 0.703 nan 8.230 nan 0.000 0.425 125 G N -0.227 108.750 108.800 0.295 0.000 2.620 125 G HA2 0.607 4.582 3.960 0.025 0.000 0.301 125 G HA3 0.607 4.582 3.960 0.025 0.000 0.301 125 G C -1.893 172.887 174.900 -0.200 0.000 1.347 125 G CA -0.551 44.584 45.100 0.059 0.000 0.971 125 G HN 0.465 nan 8.290 nan 0.000 0.488 126 K N 1.016 121.025 120.400 -0.650 0.000 2.235 126 K HA 0.565 4.900 4.320 0.025 0.000 0.266 126 K C -1.373 174.831 176.600 -0.659 0.000 0.980 126 K CA -0.654 55.151 56.287 -0.803 0.000 0.849 126 K CB 1.002 32.754 32.500 -1.246 0.000 1.098 126 K HN 0.505 nan 8.250 nan 0.000 0.445 127 Y N 1.733 121.904 120.300 -0.215 0.000 2.509 127 Y HA 0.165 4.730 4.550 0.025 0.000 0.341 127 Y C 0.274 176.100 175.900 -0.122 0.000 1.038 127 Y CA -0.968 57.058 58.100 -0.124 0.000 1.089 127 Y CB 1.173 39.589 38.460 -0.073 0.000 1.241 127 Y HN 0.715 nan 8.280 nan 0.000 0.468 128 D N -0.961 119.476 120.400 0.060 0.000 2.377 128 D HA 0.028 4.683 4.640 0.025 0.000 0.245 128 D C 0.996 177.308 176.300 0.020 0.000 1.196 128 D CA -0.304 53.702 54.000 0.009 0.000 0.962 128 D CB 0.593 41.391 40.800 -0.003 0.000 1.127 128 D HN 0.496 nan 8.370 nan 0.000 0.471 129 S N -1.641 114.056 115.700 -0.005 0.000 2.584 129 S HA -0.201 4.284 4.470 0.025 0.000 0.240 129 S C 1.171 175.769 174.600 -0.003 0.000 0.975 129 S CA 0.936 59.131 58.200 -0.009 0.000 0.949 129 S CB -0.528 62.663 63.200 -0.015 0.000 0.761 129 S HN 0.656 nan 8.310 nan 0.000 0.536 130 E N 0.249 120.454 120.200 0.008 0.000 2.498 130 E HA 0.345 4.710 4.350 0.025 0.000 0.203 130 E C 1.209 177.821 176.600 0.020 0.000 1.013 130 E CA 0.379 56.784 56.400 0.009 0.000 0.927 130 E CB -0.043 29.662 29.700 0.010 0.000 1.012 130 E HN 0.609 nan 8.360 nan 0.000 0.482 131 G N 1.098 109.921 108.800 0.039 0.000 2.175 131 G HA2 -0.236 3.739 3.960 0.025 0.000 0.244 131 G HA3 -0.236 3.739 3.960 0.025 0.000 0.244 131 G C -0.018 174.977 174.900 0.158 0.000 0.982 131 G CA 0.040 45.166 45.100 0.043 0.000 0.641 131 G HN 0.218 nan 8.290 nan 0.000 0.527 132 N N 0.236 119.028 118.700 0.153 0.000 2.525 132 N HA 0.410 5.165 4.740 0.025 0.000 0.271 132 N C 0.059 175.691 175.510 0.204 0.000 1.194 132 N CA -0.350 52.802 53.050 0.170 0.000 0.964 132 N CB 1.639 40.173 38.487 0.077 0.000 1.126 132 N HN 0.277 nan 8.380 nan 0.000 0.452 133 L N 1.329 122.641 121.223 0.148 0.000 2.367 133 L HA 0.148 4.503 4.340 0.025 0.000 0.275 133 L C 1.122 177.905 176.870 -0.145 0.000 1.129 133 L CA 0.871 55.619 54.840 -0.154 0.000 0.839 133 L CB 0.674 42.622 42.059 -0.186 0.000 1.133 133 L HN 0.541 nan 8.230 nan 0.000 0.453 134 T N 3.386 117.792 114.554 -0.246 0.000 2.987 134 T HA 0.601 4.966 4.350 0.025 0.000 0.248 134 T C -0.057 174.558 174.700 -0.141 0.000 0.997 134 T CA 0.493 62.495 62.100 -0.163 0.000 1.013 134 T CB 0.393 69.155 68.868 -0.177 0.000 1.077 134 T HN 0.727 nan 8.240 nan 0.000 0.483 135 A N 0.316 123.027 122.820 -0.181 0.000 2.599 135 A HA 0.794 5.129 4.320 0.025 0.000 0.290 135 A C -1.972 175.658 177.584 0.076 0.000 1.101 135 A CA -0.657 51.357 52.037 -0.037 0.000 0.674 135 A CB 0.988 19.991 19.000 0.005 0.000 1.277 135 A HN 0.257 nan 8.150 nan 0.000 0.419 136 I N 0.317 120.997 120.570 0.184 0.000 2.569 136 I HA 0.615 4.800 4.170 0.025 0.000 0.296 136 I C 0.489 176.656 176.117 0.083 0.000 1.028 136 I CA -0.599 60.818 61.300 0.194 0.000 1.082 136 I CB 2.531 40.596 38.000 0.108 0.000 1.264 136 I HN 0.805 nan 8.210 nan 0.000 0.429 137 G N 6.175 114.877 108.800 -0.162 0.000 2.530 137 G HA2 0.774 4.749 3.960 0.025 0.000 0.316 137 G HA3 0.774 4.749 3.960 0.025 0.000 0.316 137 G C -1.057 173.549 174.900 -0.490 0.000 1.298 137 G CA -0.368 44.364 45.100 -0.614 0.000 0.948 137 G HN 0.441 nan 8.290 nan 0.000 0.486 138 I N 1.492 121.752 120.570 -0.517 0.000 2.418 138 I HA 0.378 4.563 4.170 0.025 0.000 0.287 138 I C -0.084 175.577 176.117 -0.760 0.000 1.008 138 I CA -0.597 60.323 61.300 -0.632 0.000 1.104 138 I CB 2.196 39.807 38.000 -0.649 0.000 1.264 138 I HN 0.418 nan 8.210 nan 0.000 0.438 139 S N 6.273 121.523 115.700 -0.750 0.000 2.519 139 S HA 0.689 5.174 4.470 0.025 0.000 0.309 139 S C -0.938 173.269 174.600 -0.654 0.000 1.100 139 S CA -0.415 57.419 58.200 -0.609 0.000 1.059 139 S CB 0.546 63.530 63.200 -0.359 0.000 1.008 139 S HN 0.286 nan 8.310 nan 0.000 0.478 140 F N 3.033 122.893 119.950 -0.149 0.000 2.421 140 F HA 0.546 5.088 4.527 0.026 0.000 0.337 140 F C 0.785 176.514 175.800 -0.119 0.000 1.105 140 F CA -0.964 56.976 58.000 -0.100 0.000 1.049 140 F CB 1.001 40.016 39.000 0.025 0.000 1.139 140 F HN 0.471 nan 8.300 nan 0.000 0.479 141 R N 1.138 121.670 120.500 0.054 0.000 2.490 141 R HA 0.504 4.859 4.340 0.025 0.000 0.280 141 R C 0.611 176.841 176.300 -0.117 0.000 1.077 141 R CA -0.165 55.818 56.100 -0.195 0.000 1.065 141 R CB 0.564 30.737 30.300 -0.212 0.000 1.003 141 R HN 0.910 nan 8.270 nan 0.000 0.470 142 G N 1.225 109.844 108.800 -0.301 0.000 2.516 142 G HA2 0.024 3.999 3.960 0.025 0.000 0.276 142 G HA3 0.024 3.999 3.960 0.025 0.000 0.276 142 G C -0.675 174.304 174.900 0.130 0.000 1.390 142 G CA -0.547 44.594 45.100 0.069 0.000 1.050 142 G HN 0.592 nan 8.290 nan 0.000 0.519 143 T N 0.650 115.368 114.554 0.273 0.000 2.902 143 T HA 0.419 4.784 4.350 0.025 0.000 0.301 143 T C 0.381 175.240 174.700 0.264 0.000 1.012 143 T CA 1.189 63.433 62.100 0.241 0.000 1.151 143 T CB 0.029 69.054 68.868 0.261 0.000 0.946 143 T HN 1.844 nan 8.240 nan 0.000 0.542 144 S N 1.239 117.043 115.700 0.174 0.000 3.958 144 S HA 0.351 4.836 4.470 0.025 0.000 0.632 144 S C -0.470 174.183 174.600 0.089 0.000 0.679 144 S CA -0.754 57.536 58.200 0.150 0.000 1.019 144 S CB -0.835 62.493 63.200 0.214 0.000 0.750 144 S HN 1.468 nan 8.310 nan 0.000 0.653 145 G N -0.426 108.416 108.800 0.069 0.000 2.682 145 G HA2 0.799 4.775 3.960 0.025 0.000 0.303 145 G HA3 0.799 4.775 3.960 0.025 0.000 0.303 145 G C -3.530 171.377 174.900 0.011 0.000 1.341 145 G CA -0.907 44.204 45.100 0.018 0.000 0.784 145 G HN 0.748 nan 8.290 nan 0.000 0.497 146 P HA 0.070 nan 4.420 nan 0.000 0.264 146 P C 0.889 178.191 177.300 0.004 0.000 1.179 146 P CA 0.086 63.164 63.100 -0.036 0.000 0.763 146 P CB 0.683 32.384 31.700 0.002 0.000 0.806 147 R N 1.962 122.460 120.500 -0.004 0.000 2.117 147 R HA -0.216 4.139 4.340 0.025 0.000 0.243 147 R C 1.515 177.821 176.300 0.009 0.000 1.143 147 R CA 1.738 57.844 56.100 0.009 0.000 0.968 147 R CB -0.288 30.012 30.300 -0.000 0.000 0.863 147 R HN 0.541 nan 8.270 nan 0.000 0.444 148 E N -0.337 119.865 120.200 0.002 0.000 2.409 148 E HA -0.074 4.291 4.350 0.025 0.000 0.198 148 E C 0.857 177.467 176.600 0.016 0.000 1.024 148 E CA 1.157 57.559 56.400 0.003 0.000 0.861 148 E CB 0.327 30.024 29.700 -0.005 0.000 0.788 148 E HN 0.311 nan 8.360 nan 0.000 0.521 149 S N -1.007 114.711 115.700 0.030 0.000 3.021 149 S HA 0.176 4.661 4.470 0.025 0.000 0.252 149 S C 1.054 175.682 174.600 0.047 0.000 0.996 149 S CA -0.506 57.719 58.200 0.041 0.000 1.084 149 S CB -0.054 63.182 63.200 0.060 0.000 1.021 149 S HN 0.073 nan 8.310 nan 0.000 0.566 150 L N 2.086 123.334 121.223 0.041 0.000 1.990 150 L HA 0.030 4.385 4.340 0.025 0.000 0.213 150 L C 1.923 178.822 176.870 0.050 0.000 1.072 150 L CA 1.957 56.826 54.840 0.049 0.000 0.755 150 L CB -0.712 41.375 42.059 0.047 0.000 0.889 150 L HN 0.530 nan 8.230 nan 0.000 0.432 151 I N -1.060 119.534 120.570 0.040 0.000 2.202 151 I HA -0.183 4.002 4.170 0.025 0.000 0.242 151 I C 2.459 178.598 176.117 0.036 0.000 1.091 151 I CA 1.237 62.558 61.300 0.035 0.000 1.368 151 I CB -1.083 36.933 38.000 0.027 0.000 1.058 151 I HN 0.415 nan 8.210 nan 0.000 0.410 152 G N 0.113 108.935 108.800 0.036 0.000 2.418 152 G HA2 -0.285 3.690 3.960 0.025 0.000 0.217 152 G HA3 -0.285 3.690 3.960 0.025 0.000 0.217 152 G C 1.434 176.364 174.900 0.049 0.000 1.158 152 G CA 0.897 46.019 45.100 0.037 0.000 0.771 152 G HN 0.360 nan 8.290 nan 0.000 0.545 153 D N 0.060 120.497 120.400 0.061 0.000 2.097 153 D HA -0.104 4.551 4.640 0.025 0.000 0.197 153 D C 2.431 178.774 176.300 0.071 0.000 0.984 153 D CA 1.507 55.552 54.000 0.075 0.000 0.826 153 D CB -0.079 40.771 40.800 0.083 0.000 0.973 153 D HN 0.217 nan 8.370 nan 0.000 0.460 154 T N 1.098 115.692 114.554 0.067 0.000 2.759 154 T HA -0.122 4.243 4.350 0.025 0.000 0.269 154 T C 2.165 176.900 174.700 0.057 0.000 1.042 154 T CA 0.736 62.879 62.100 0.071 0.000 1.140 154 T CB -0.122 68.785 68.868 0.066 0.000 0.864 154 T HN 0.216 nan 8.240 nan 0.000 0.455 155 I N 1.064 121.659 120.570 0.042 0.000 2.226 155 I HA -0.117 4.068 4.170 0.025 0.000 0.245 155 I C 2.895 179.032 176.117 0.032 0.000 1.100 155 I CA 1.247 62.564 61.300 0.028 0.000 1.374 155 I CB -0.760 37.251 38.000 0.018 0.000 1.057 155 I HN 0.316 nan 8.210 nan 0.000 0.413 156 G N 0.674 109.498 108.800 0.041 0.000 2.476 156 G HA2 -0.282 3.693 3.960 0.025 0.000 0.218 156 G HA3 -0.282 3.693 3.960 0.025 0.000 0.218 156 G C 1.257 176.193 174.900 0.060 0.000 1.164 156 G CA 1.208 46.333 45.100 0.042 0.000 0.768 156 G HN 0.304 nan 8.290 nan 0.000 0.560 157 D N 0.223 120.673 120.400 0.084 0.000 2.117 157 D HA -0.095 4.560 4.640 0.025 0.000 0.197 157 D C 2.771 179.128 176.300 0.095 0.000 0.987 157 D CA 0.879 54.945 54.000 0.111 0.000 0.829 157 D CB -0.636 40.237 40.800 0.121 0.000 0.961 157 D HN 0.205 nan 8.370 nan 0.000 0.460 158 V N 1.322 121.281 119.914 0.074 0.000 2.392 158 V HA -0.228 3.907 4.120 0.025 0.000 0.249 158 V C 2.514 178.634 176.094 0.044 0.000 1.059 158 V CA 1.090 63.427 62.300 0.061 0.000 1.051 158 V CB -0.377 31.466 31.823 0.033 0.000 0.658 158 V HN 0.185 nan 8.190 nan 0.000 0.455 159 I N 0.378 120.964 120.570 0.026 0.000 2.226 159 I HA -0.268 3.917 4.170 0.025 0.000 0.245 159 I C 2.211 178.331 176.117 0.006 0.000 1.100 159 I CA 2.041 63.339 61.300 -0.003 0.000 1.374 159 I CB -0.564 37.424 38.000 -0.020 0.000 1.057 159 I HN 0.413 nan 8.210 nan 0.000 0.413 160 N N 0.568 119.310 118.700 0.070 0.000 2.166 160 N HA -0.202 4.553 4.740 0.025 0.000 0.186 160 N C 1.373 176.971 175.510 0.146 0.000 1.019 160 N CA 1.289 54.451 53.050 0.186 0.000 0.856 160 N CB -0.073 38.586 38.487 0.287 0.000 0.993 160 N HN 0.309 nan 8.380 nan 0.000 0.426 161 D N 0.942 121.396 120.400 0.090 0.000 2.117 161 D HA -0.109 4.546 4.640 0.025 0.000 0.197 161 D C 2.015 178.370 176.300 0.092 0.000 0.987 161 D CA 0.808 54.858 54.000 0.082 0.000 0.829 161 D CB -0.249 40.618 40.800 0.111 0.000 0.961 161 D HN 0.276 nan 8.370 nan 0.000 0.460 162 L N 0.236 121.512 121.223 0.088 0.000 2.093 162 L HA -0.102 4.253 4.340 0.025 0.000 0.208 162 L C 2.514 179.466 176.870 0.136 0.000 1.085 162 L CA 0.534 55.474 54.840 0.165 0.000 0.755 162 L CB -0.265 41.829 42.059 0.059 0.000 0.904 162 L HN 0.014 nan 8.230 nan 0.000 0.435 163 L N -0.579 120.571 121.223 -0.121 0.000 2.201 163 L HA -0.123 4.232 4.340 0.025 0.000 0.212 163 L C 2.813 179.472 176.870 -0.350 0.000 1.105 163 L CA 0.751 55.321 54.840 -0.451 0.000 0.775 163 L CB -0.658 40.686 42.059 -1.192 0.000 0.913 163 L HN 0.213 nan 8.230 nan 0.000 0.440 164 A N 0.299 123.090 122.820 -0.048 0.000 1.933 164 A HA -0.108 4.228 4.320 0.025 0.000 0.218 164 A C 2.367 179.931 177.584 -0.035 0.000 1.175 164 A CA 1.822 53.923 52.037 0.106 0.000 0.628 164 A CB -0.951 18.111 19.000 0.104 0.000 0.814 164 A HN 0.430 nan 8.150 nan 0.000 0.444 165 G N -2.095 106.639 108.800 -0.110 0.000 2.459 165 G HA2 0.149 4.124 3.960 0.025 0.000 0.213 165 G HA3 0.149 4.124 3.960 0.025 0.000 0.213 165 G C 1.020 175.588 174.900 -0.553 0.000 1.155 165 G CA 0.718 45.585 45.100 -0.389 0.000 0.811 165 G HN 0.458 nan 8.290 nan 0.000 0.534 166 F N 1.051 120.959 119.950 -0.071 0.000 2.682 166 F HA 0.390 4.922 4.527 0.009 0.000 0.308 166 F C 1.783 177.525 175.800 -0.096 0.000 1.093 166 F CA -0.587 57.372 58.000 -0.069 0.000 1.244 166 F CB 0.547 39.508 39.000 -0.065 0.000 1.052 166 F HN 0.175 nan 8.300 nan 0.000 0.573 167 G N 0.473 109.258 108.800 -0.024 0.000 2.508 167 G HA2 0.403 4.378 3.960 0.025 0.000 0.278 167 G HA3 0.403 4.378 3.960 0.025 0.000 0.278 167 G C -2.371 172.535 174.900 0.010 0.000 1.389 167 G CA -1.180 43.859 45.100 -0.102 0.000 1.050 167 G HN -0.149 nan 8.290 nan 0.000 0.522 168 P HA 0.144 nan 4.420 nan 0.000 0.267 168 P C 0.636 178.004 177.300 0.114 0.000 1.200 168 P CA -0.091 63.073 63.100 0.106 0.000 0.772 168 P CB 0.763 32.556 31.700 0.154 0.000 0.855 169 K N 1.615 122.058 120.400 0.070 0.000 2.127 169 K HA -0.156 4.179 4.320 0.025 0.000 0.208 169 K C 1.914 178.557 176.600 0.072 0.000 1.047 169 K CA 1.941 58.260 56.287 0.053 0.000 0.927 169 K CB -0.669 31.851 32.500 0.033 0.000 0.716 169 K HN 0.655 nan 8.250 nan 0.000 0.450 170 G N -0.652 108.198 108.800 0.084 0.000 2.985 170 G HA2 -0.161 3.814 3.960 0.025 0.000 0.209 170 G HA3 -0.161 3.814 3.960 0.025 0.000 0.209 170 G C 0.963 175.920 174.900 0.095 0.000 1.165 170 G CA -0.238 44.901 45.100 0.065 0.000 0.776 170 G HN 0.219 nan 8.290 nan 0.000 0.541 171 Y N 2.060 122.386 120.300 0.043 0.000 2.053 171 Y HA -0.177 4.391 4.550 0.028 0.000 0.277 171 Y C 2.894 178.853 175.900 0.098 0.000 1.159 171 Y CA 2.075 60.226 58.100 0.085 0.000 1.125 171 Y CB -0.297 38.214 38.460 0.085 0.000 0.969 171 Y HN 0.239 nan 8.280 nan 0.000 0.492 172 A N 0.064 123.002 122.820 0.197 0.000 1.892 172 A HA -0.248 4.087 4.320 0.025 0.000 0.218 172 A C 1.982 179.564 177.584 -0.003 0.000 1.188 172 A CA 2.160 54.246 52.037 0.083 0.000 0.631 172 A CB -0.997 18.038 19.000 0.058 0.000 0.822 172 A HN 0.594 nan 8.150 nan 0.000 0.447 173 D N -0.568 119.822 120.400 -0.017 0.000 2.149 173 D HA -0.103 4.552 4.640 0.025 0.000 0.198 173 D C 1.944 178.186 176.300 -0.097 0.000 0.990 173 D CA 1.540 55.500 54.000 -0.067 0.000 0.839 173 D CB -0.545 40.218 40.800 -0.062 0.000 0.948 173 D HN 0.489 nan 8.370 nan 0.000 0.460 174 G N -0.737 107.993 108.800 -0.115 0.000 2.623 174 G HA2 -0.212 3.763 3.960 0.025 0.000 0.214 174 G HA3 -0.212 3.763 3.960 0.025 0.000 0.214 174 G C 1.419 176.167 174.900 -0.254 0.000 1.138 174 G CA -0.021 44.970 45.100 -0.182 0.000 0.794 174 G HN 0.248 nan 8.290 nan 0.000 0.535 175 Y N 2.151 122.254 120.300 -0.328 0.000 2.069 175 Y HA -0.268 4.297 4.550 0.025 0.000 0.278 175 Y C 2.876 178.568 175.900 -0.347 0.000 1.175 175 Y CA 2.567 60.480 58.100 -0.312 0.000 1.134 175 Y CB -0.365 37.991 38.460 -0.174 0.000 0.965 175 Y HN 0.190 nan 8.280 nan 0.000 0.498 176 T N 0.853 115.297 114.554 -0.184 0.000 2.857 176 T HA -0.131 4.234 4.350 0.025 0.000 0.266 176 T C 1.746 176.365 174.700 -0.135 0.000 1.048 176 T CA 1.085 63.046 62.100 -0.231 0.000 1.139 176 T CB -0.536 68.216 68.868 -0.194 0.000 0.874 176 T HN 0.259 nan 8.240 nan 0.000 0.455 177 L N 1.423 122.586 121.223 -0.099 0.000 2.012 177 L HA -0.037 4.318 4.340 0.025 0.000 0.210 177 L C 2.143 178.877 176.870 -0.227 0.000 1.073 177 L CA 1.846 56.647 54.840 -0.065 0.000 0.748 177 L CB -0.455 41.503 42.059 -0.168 0.000 0.891 177 L HN 0.093 nan 8.230 nan 0.000 0.431 178 K N -1.219 118.880 120.400 -0.502 0.000 2.103 178 K HA 0.009 4.344 4.320 0.025 0.000 0.204 178 K C 2.004 178.140 176.600 -0.772 0.000 1.052 178 K CA 1.032 56.881 56.287 -0.730 0.000 0.945 178 K CB -0.192 31.524 32.500 -1.307 0.000 0.722 178 K HN 0.440 nan 8.250 nan 0.000 0.443 179 A N 0.263 122.541 122.820 -0.902 0.000 1.898 179 A HA -0.016 4.319 4.320 0.025 0.000 0.214 179 A C 0.945 177.977 177.584 -0.920 0.000 1.183 179 A CA 1.097 52.535 52.037 -0.997 0.000 0.622 179 A CB 0.018 18.215 19.000 -1.339 0.000 0.824 179 A HN 0.242 nan 8.150 nan 0.000 0.444 180 F N -1.223 118.649 119.950 -0.129 0.000 2.811 180 F HA 0.321 4.863 4.527 0.025 0.000 0.342 180 F C 1.784 177.629 175.800 0.075 0.000 1.203 180 F CA -0.569 57.420 58.000 -0.018 0.000 1.173 180 F CB -0.180 38.809 39.000 -0.019 0.000 1.094 180 F HN 0.166 nan 8.300 nan 0.000 0.510 181 G N 0.775 109.716 108.800 0.236 0.000 2.491 181 G HA2 -0.297 3.678 3.960 0.025 0.000 0.218 181 G HA3 -0.297 3.678 3.960 0.025 0.000 0.218 181 G C 1.728 176.890 174.900 0.437 0.000 1.180 181 G CA 1.185 46.519 45.100 0.390 0.000 0.774 181 G HN 0.274 nan 8.290 nan 0.000 0.562 182 N N 0.185 119.063 118.700 0.297 0.000 2.106 182 N HA -0.075 4.680 4.740 0.025 0.000 0.188 182 N C 2.166 177.856 175.510 0.300 0.000 1.029 182 N CA 1.100 54.333 53.050 0.304 0.000 0.848 182 N CB -0.349 38.313 38.487 0.292 0.000 1.007 182 N HN 0.237 nan 8.380 nan 0.000 0.423 183 L N 1.954 123.329 121.223 0.254 0.000 1.990 183 L HA -0.114 4.241 4.340 0.025 0.000 0.213 183 L C 2.158 178.923 176.870 -0.175 0.000 1.072 183 L CA 1.430 56.188 54.840 -0.137 0.000 0.755 183 L CB -0.835 41.004 42.059 -0.367 0.000 0.889 183 L HN 0.117 nan 8.230 nan 0.000 0.432 184 L N -0.895 120.228 121.223 -0.166 0.000 2.131 184 L HA -0.135 4.220 4.340 0.025 0.000 0.210 184 L C 2.469 179.204 176.870 -0.224 0.000 1.092 184 L CA 1.117 55.690 54.840 -0.444 0.000 0.759 184 L CB -1.269 40.145 42.059 -1.076 0.000 0.903 184 L HN 0.495 nan 8.230 nan 0.000 0.435 185 G N -0.419 108.424 108.800 0.071 0.000 2.404 185 G HA2 -0.237 3.738 3.960 0.025 0.000 0.215 185 G HA3 -0.237 3.738 3.960 0.025 0.000 0.215 185 G C 1.116 176.075 174.900 0.099 0.000 1.174 185 G CA 0.733 45.978 45.100 0.242 0.000 0.780 185 G HN 0.278 nan 8.290 nan 0.000 0.537 186 D N 0.217 120.670 120.400 0.089 0.000 2.144 186 D HA -0.082 4.573 4.640 0.025 0.000 0.199 186 D C 2.736 179.047 176.300 0.018 0.000 0.984 186 D CA 0.574 54.618 54.000 0.074 0.000 0.834 186 D CB -0.395 40.480 40.800 0.126 0.000 0.955 186 D HN 0.195 nan 8.370 nan 0.000 0.465 187 V N 1.182 121.059 119.914 -0.061 0.000 2.427 187 V HA -0.207 3.928 4.120 0.025 0.000 0.248 187 V C 2.474 178.551 176.094 -0.027 0.000 1.051 187 V CA 1.654 63.926 62.300 -0.046 0.000 1.048 187 V CB -0.734 31.017 31.823 -0.120 0.000 0.666 187 V HN 0.184 nan 8.190 nan 0.000 0.456 188 A N 0.059 122.781 122.820 -0.163 0.000 1.902 188 A HA -0.252 4.083 4.320 0.025 0.000 0.217 188 A C 2.280 179.487 177.584 -0.628 0.000 1.181 188 A CA 2.063 53.643 52.037 -0.760 0.000 0.623 188 A CB -0.415 18.149 19.000 -0.726 0.000 0.818 188 A HN 0.564 nan 8.150 nan 0.000 0.443 189 K N -1.580 118.678 120.400 -0.237 0.000 2.057 189 K HA -0.086 4.249 4.320 0.025 0.000 0.206 189 K C 1.781 178.375 176.600 -0.009 0.000 1.050 189 K CA 1.458 57.679 56.287 -0.109 0.000 0.935 189 K CB -0.357 32.142 32.500 -0.002 0.000 0.715 189 K HN 0.472 nan 8.250 nan 0.000 0.439 190 F N 1.917 121.823 119.950 -0.073 0.000 2.095 190 F HA -0.256 4.286 4.527 0.025 0.000 0.298 190 F C 2.237 178.074 175.800 0.062 0.000 1.104 190 F CA 1.617 59.630 58.000 0.022 0.000 1.232 190 F CB -0.408 38.577 39.000 -0.025 0.000 0.987 190 F HN -0.006 nan 8.300 nan 0.000 0.475 191 A N -0.404 122.435 122.820 0.032 0.000 1.902 191 A HA -0.254 4.081 4.320 0.025 0.000 0.217 191 A C 2.196 179.779 177.584 -0.001 0.000 1.181 191 A CA 1.811 53.855 52.037 0.012 0.000 0.623 191 A CB -1.017 18.064 19.000 0.135 0.000 0.818 191 A HN 0.597 nan 8.150 nan 0.000 0.443 192 Q N -0.813 118.934 119.800 -0.089 0.000 2.079 192 Q HA -0.061 4.294 4.340 0.025 0.000 0.200 192 Q C 2.186 178.160 176.000 -0.043 0.000 0.974 192 Q CA 1.394 57.180 55.803 -0.029 0.000 0.840 192 Q CB -0.348 28.332 28.738 -0.097 0.000 0.898 192 Q HN 0.633 nan 8.270 nan 0.000 0.430 193 A N -0.344 122.430 122.820 -0.078 0.000 2.076 193 A HA -0.190 4.145 4.320 0.025 0.000 0.220 193 A C 0.880 178.298 177.584 -0.277 0.000 1.160 193 A CA 1.601 53.550 52.037 -0.147 0.000 0.653 193 A CB -0.534 18.379 19.000 -0.145 0.000 0.801 193 A HN 0.468 nan 8.150 nan 0.000 0.455 194 H N -1.642 117.282 119.070 -0.243 0.000 2.505 194 H HA 0.393 4.964 4.556 0.025 0.000 0.289 194 H C 1.405 176.665 175.328 -0.114 0.000 1.052 194 H CA 0.265 56.185 56.048 -0.215 0.000 1.156 194 H CB 0.074 29.635 29.762 -0.336 0.000 1.507 194 H HN 0.526 nan 8.280 nan 0.000 0.548 195 G N 0.687 109.483 108.800 -0.007 0.000 2.160 195 G HA2 -0.279 3.696 3.960 0.025 0.000 0.251 195 G HA3 -0.279 3.696 3.960 0.025 0.000 0.251 195 G C -0.041 174.878 174.900 0.031 0.000 1.008 195 G CA 0.157 45.260 45.100 0.005 0.000 0.724 195 G HN 0.317 nan 8.290 nan 0.000 0.514 196 L N 0.666 121.927 121.223 0.063 0.000 2.344 196 L HA 0.734 5.089 4.340 0.025 0.000 0.272 196 L C 0.982 177.939 176.870 0.145 0.000 1.035 196 L CA -0.236 54.651 54.840 0.078 0.000 0.807 196 L CB 1.795 43.904 42.059 0.083 0.000 1.237 196 L HN 0.403 nan 8.230 nan 0.000 0.442 197 S N -0.215 115.497 115.700 0.020 0.000 2.759 197 S HA 0.452 4.937 4.470 0.025 0.000 0.310 197 S C 0.932 175.229 174.600 -0.506 0.000 1.123 197 S CA -0.132 57.958 58.200 -0.184 0.000 0.959 197 S CB 1.354 64.458 63.200 -0.161 0.000 1.172 197 S HN 0.740 nan 8.310 nan 0.000 0.539 198 G N -0.040 108.158 108.800 -1.004 0.000 2.475 198 G HA2 -0.148 3.827 3.960 0.025 0.000 0.220 198 G HA3 -0.148 3.827 3.960 0.025 0.000 0.220 198 G C 0.944 175.645 174.900 -0.331 0.000 1.125 198 G CA 0.749 45.331 45.100 -0.864 0.000 0.755 198 G HN 0.830 nan 8.290 nan 0.000 0.565 199 E N 0.273 120.340 120.200 -0.222 0.000 2.478 199 E HA -0.025 4.340 4.350 0.025 0.000 0.198 199 E C 0.930 177.492 176.600 -0.064 0.000 1.046 199 E CA 0.329 56.671 56.400 -0.097 0.000 0.870 199 E CB 0.180 29.845 29.700 -0.058 0.000 0.818 199 E HN 0.344 nan 8.360 nan 0.000 0.527 200 D N 0.161 120.518 120.400 -0.072 0.000 2.328 200 D HA 0.026 4.681 4.640 0.025 0.000 0.221 200 D C -0.375 175.929 176.300 0.007 0.000 1.072 200 D CA 0.255 54.242 54.000 -0.021 0.000 0.850 200 D CB 0.809 41.602 40.800 -0.010 0.000 0.922 200 D HN -0.061 nan 8.370 nan 0.000 0.516 201 V N 1.399 121.295 119.914 -0.029 0.000 2.417 201 V HA 0.261 4.397 4.120 0.025 0.000 0.291 201 V C 0.041 176.064 176.094 -0.118 0.000 1.024 201 V CA -0.951 61.335 62.300 -0.023 0.000 0.861 201 V CB 2.510 34.362 31.823 0.048 0.000 0.985 201 V HN -0.164 nan 8.190 nan 0.000 0.436 202 V N 6.790 126.617 119.914 -0.145 0.000 2.435 202 V HA 0.679 4.814 4.120 0.025 0.000 0.290 202 V C -0.539 175.354 176.094 -0.337 0.000 1.030 202 V CA -0.137 62.015 62.300 -0.247 0.000 0.881 202 V CB 1.895 33.598 31.823 -0.199 0.000 0.983 202 V HN 0.632 nan 8.190 nan 0.000 0.445 203 V N 6.446 126.143 119.914 -0.362 0.000 2.409 203 V HA 0.726 4.862 4.120 0.025 0.000 0.291 203 V C 0.132 176.113 176.094 -0.189 0.000 1.020 203 V CA 0.067 62.179 62.300 -0.313 0.000 0.848 203 V CB 1.258 32.935 31.823 -0.244 0.000 0.990 203 V HN 1.034 nan 8.190 nan 0.000 0.430 204 S N 2.526 118.096 115.700 -0.217 0.000 2.794 204 S HA 1.006 5.491 4.470 0.025 0.000 0.299 204 S C -0.394 174.206 174.600 0.000 0.000 1.179 204 S CA 0.123 58.281 58.200 -0.070 0.000 0.838 204 S CB 2.107 65.272 63.200 -0.058 0.000 1.206 204 S HN 1.611 nan 8.310 nan 0.000 0.523 205 G N 0.636 109.522 108.800 0.143 0.000 2.352 205 G HA2 0.325 4.300 3.960 0.025 0.000 0.305 205 G HA3 0.325 4.300 3.960 0.025 0.000 0.305 205 G C -2.123 172.944 174.900 0.278 0.000 1.537 205 G CA -0.721 44.483 45.100 0.174 0.000 0.959 205 G HN 0.842 nan 8.290 nan 0.000 0.668 206 H N 0.642 119.777 119.070 0.110 0.000 2.600 206 H HA 0.749 5.321 4.556 0.026 0.000 0.357 206 H C 0.632 176.021 175.328 0.101 0.000 1.106 206 H CA 0.864 56.968 56.048 0.093 0.000 1.193 206 H CB 1.903 31.692 29.762 0.045 0.000 1.594 206 H HN 1.527 nan 8.280 nan 0.000 0.526 207 S N 2.466 117.989 115.700 -0.294 0.000 4.142 207 S HA -0.318 4.167 4.470 0.025 0.000 0.624 207 S C 1.407 176.025 174.600 0.030 0.000 1.892 207 S CA 1.172 59.338 58.200 -0.058 0.000 4.236 207 S CB -1.344 61.977 63.200 0.201 0.000 0.204 207 S HN 0.643 nan 8.310 nan 0.000 0.486 208 L N 2.947 124.214 121.223 0.073 0.000 2.131 208 L HA 0.211 4.566 4.340 0.025 0.000 0.210 208 L C 2.340 179.181 176.870 -0.048 0.000 1.092 208 L CA 3.029 57.846 54.840 -0.039 0.000 0.759 208 L CB -1.286 40.756 42.059 -0.029 0.000 0.903 208 L HN 0.704 nan 8.230 nan 0.000 0.435 209 G N -1.079 107.760 108.800 0.065 0.000 2.422 209 G HA2 -0.166 3.809 3.960 0.025 0.000 0.218 209 G HA3 -0.166 3.809 3.960 0.025 0.000 0.218 209 G C 1.491 176.485 174.900 0.156 0.000 1.140 209 G CA 0.504 45.694 45.100 0.149 0.000 0.775 209 G HN 0.587 nan 8.290 nan 0.000 0.545 210 G N 0.952 109.808 108.800 0.093 0.000 2.421 210 G HA2 -0.176 3.799 3.960 0.025 0.000 0.216 210 G HA3 -0.176 3.799 3.960 0.025 0.000 0.216 210 G C 1.751 176.675 174.900 0.040 0.000 1.171 210 G CA 0.807 45.955 45.100 0.079 0.000 0.775 210 G HN 0.444 nan 8.290 nan 0.000 0.543 211 L N 0.749 121.958 121.223 -0.024 0.000 2.043 211 L HA -0.064 4.291 4.340 0.025 0.000 0.212 211 L C 3.103 179.924 176.870 -0.082 0.000 1.075 211 L CA 1.973 56.767 54.840 -0.077 0.000 0.752 211 L CB -0.243 41.718 42.059 -0.164 0.000 0.891 211 L HN 0.261 nan 8.230 nan 0.000 0.432 212 A N -0.999 121.760 122.820 -0.102 0.000 1.969 212 A HA -0.123 4.212 4.320 0.025 0.000 0.218 212 A C 2.183 179.700 177.584 -0.110 0.000 1.169 212 A CA 1.674 53.607 52.037 -0.173 0.000 0.635 212 A CB -0.850 17.931 19.000 -0.364 0.000 0.810 212 A HN 0.350 nan 8.150 nan 0.000 0.445 213 V N 1.050 121.045 119.914 0.135 0.000 2.261 213 V HA -0.278 3.857 4.120 0.025 0.000 0.246 213 V C 2.264 178.425 176.094 0.113 0.000 1.047 213 V CA 2.137 64.596 62.300 0.265 0.000 1.015 213 V CB -0.887 31.085 31.823 0.248 0.000 0.642 213 V HN 0.601 nan 8.190 nan 0.000 0.446 214 N N -0.112 118.616 118.700 0.046 0.000 2.223 214 N HA -0.163 4.592 4.740 0.025 0.000 0.185 214 N C 2.137 177.583 175.510 -0.106 0.000 1.016 214 N CA 1.674 54.726 53.050 0.004 0.000 0.863 214 N CB -0.119 38.393 38.487 0.042 0.000 0.983 214 N HN 0.499 nan 8.380 nan 0.000 0.429 215 S N 1.167 116.813 115.700 -0.091 0.000 2.355 215 S HA -0.066 4.419 4.470 0.025 0.000 0.222 215 S C 1.996 176.515 174.600 -0.135 0.000 1.031 215 S CA 0.620 58.747 58.200 -0.123 0.000 0.993 215 S CB -0.068 63.096 63.200 -0.060 0.000 0.859 215 S HN 0.225 nan 8.310 nan 0.000 0.453 216 M N 1.040 120.602 119.600 -0.064 0.000 2.080 216 M HA -0.082 4.413 4.480 0.025 0.000 0.260 216 M C 2.253 178.484 176.300 -0.114 0.000 1.068 216 M CA 1.801 57.129 55.300 0.046 0.000 1.109 216 M CB -0.639 32.064 32.600 0.172 0.000 1.342 216 M HN 0.494 nan 8.290 nan 0.000 0.405 217 A N 0.344 122.868 122.820 -0.493 0.000 1.892 217 A HA -0.188 4.147 4.320 0.025 0.000 0.218 217 A C 2.280 179.471 177.584 -0.654 0.000 1.188 217 A CA 2.295 53.818 52.037 -0.857 0.000 0.631 217 A CB -1.314 17.185 19.000 -0.834 0.000 0.822 217 A HN 0.688 nan 8.150 nan 0.000 0.447 218 A N -1.476 120.790 122.820 -0.922 0.000 1.972 218 A HA -0.148 4.187 4.320 0.025 0.000 0.219 218 A C 2.000 179.262 177.584 -0.536 0.000 1.169 218 A CA 1.587 52.838 52.037 -1.309 0.000 0.635 218 A CB -0.300 18.116 19.000 -0.974 0.000 0.810 218 A HN 0.562 nan 8.150 nan 0.000 0.446 219 Q N -0.204 119.440 119.800 -0.260 0.000 2.392 219 Q HA -0.002 4.353 4.340 0.025 0.000 0.203 219 Q C 2.031 178.042 176.000 0.019 0.000 0.917 219 Q CA 1.012 56.740 55.803 -0.125 0.000 0.939 219 Q CB -0.111 28.572 28.738 -0.092 0.000 1.063 219 Q HN 0.817 nan 8.270 nan 0.000 0.516 220 S N 0.392 116.175 115.700 0.138 0.000 2.481 220 S HA -0.095 4.390 4.470 0.025 0.000 0.231 220 S C 1.158 175.912 174.600 0.257 0.000 0.996 220 S CA 0.824 59.240 58.200 0.359 0.000 0.942 220 S CB 0.082 63.508 63.200 0.378 0.000 0.768 220 S HN 0.107 nan 8.310 nan 0.000 0.520 221 D N 2.076 122.552 120.400 0.127 0.000 2.162 221 D HA 0.204 4.859 4.640 0.025 0.000 0.203 221 D C 1.943 178.284 176.300 0.069 0.000 0.967 221 D CA 1.341 55.403 54.000 0.105 0.000 0.840 221 D CB -0.256 40.591 40.800 0.079 0.000 0.972 221 D HN 0.598 nan 8.370 nan 0.000 0.482 222 A N -0.173 122.654 122.820 0.012 0.000 2.197 222 A HA 0.094 4.429 4.320 0.025 0.000 0.210 222 A C 0.940 178.465 177.584 -0.099 0.000 1.180 222 A CA -0.022 51.992 52.037 -0.039 0.000 0.846 222 A CB 0.309 19.266 19.000 -0.071 0.000 0.884 222 A HN 0.051 nan 8.150 nan 0.000 0.487 223 N N -1.181 117.426 118.700 -0.155 0.000 2.432 223 N HA 0.264 5.019 4.740 0.025 0.000 0.292 223 N C -0.611 174.885 175.510 -0.023 0.000 1.193 223 N CA -0.492 52.313 53.050 -0.409 0.000 0.878 223 N CB 0.530 38.288 38.487 -1.214 0.000 1.252 223 N HN 0.368 nan 8.380 nan 0.000 0.520 224 W N 0.093 121.479 121.300 0.144 0.000 5.361 224 W HA -0.194 4.481 4.660 0.024 0.000 0.385 224 W C 1.055 177.679 176.519 0.175 0.000 1.458 224 W CA 0.662 58.122 57.345 0.192 0.000 0.922 224 W CB -2.217 27.465 29.460 0.370 0.000 2.606 224 W HN 1.008 nan 8.180 nan 0.000 1.450 225 G N -1.120 107.817 108.800 0.229 0.000 2.187 225 G HA2 0.015 3.990 3.960 0.025 0.000 0.261 225 G HA3 0.015 3.990 3.960 0.025 0.000 0.261 225 G C 1.332 176.357 174.900 0.209 0.000 1.000 225 G CA 1.553 46.761 45.100 0.180 0.000 0.718 225 G HN 1.853 nan 8.290 nan 0.000 0.519 226 G N -1.489 107.467 108.800 0.260 0.000 2.162 226 G HA2 -0.261 3.714 3.960 0.025 0.000 0.260 226 G HA3 -0.261 3.714 3.960 0.025 0.000 0.260 226 G C 1.003 176.063 174.900 0.266 0.000 0.976 226 G CA 1.048 46.296 45.100 0.246 0.000 0.655 226 G HN 1.519 nan 8.290 nan 0.000 0.533 227 F N 0.480 120.517 119.950 0.145 0.000 2.154 227 F HA -0.049 4.493 4.527 0.025 0.000 0.301 227 F C 1.992 177.718 175.800 -0.124 0.000 1.087 227 F CA 2.145 60.109 58.000 -0.060 0.000 1.274 227 F CB -0.042 38.813 39.000 -0.241 0.000 1.009 227 F HN 0.303 nan 8.300 nan 0.000 0.485 228 Y N -0.542 119.898 120.300 0.233 0.000 2.532 228 Y HA 0.407 4.972 4.550 0.026 0.000 0.283 228 Y C 1.887 177.918 175.900 0.218 0.000 1.181 228 Y CA 0.051 58.236 58.100 0.142 0.000 1.256 228 Y CB -0.844 37.767 38.460 0.253 0.000 1.112 228 Y HN 0.123 nan 8.280 nan 0.000 0.521 229 A N -0.019 122.956 122.820 0.258 0.000 1.902 229 A HA -0.169 4.166 4.320 0.025 0.000 0.217 229 A C 1.816 179.544 177.584 0.239 0.000 1.181 229 A CA 1.446 53.630 52.037 0.244 0.000 0.623 229 A CB -0.150 18.941 19.000 0.152 0.000 0.818 229 A HN 0.251 nan 8.150 nan 0.000 0.443 230 Q N 0.656 120.529 119.800 0.122 0.000 2.201 230 Q HA 0.280 4.635 4.340 0.025 0.000 0.217 230 Q C -0.027 176.018 176.000 0.075 0.000 0.860 230 Q CA -0.079 55.783 55.803 0.098 0.000 0.984 230 Q CB -0.044 28.704 28.738 0.017 0.000 1.095 230 Q HN 0.507 nan 8.270 nan 0.000 0.477 231 S N 1.798 117.549 115.700 0.085 0.000 2.600 231 S HA 0.207 4.692 4.470 0.025 0.000 0.265 231 S C 0.462 174.942 174.600 -0.199 0.000 1.325 231 S CA -0.388 57.726 58.200 -0.143 0.000 1.002 231 S CB 0.470 63.488 63.200 -0.304 0.000 0.921 231 S HN 0.282 nan 8.310 nan 0.000 0.554 232 N N 1.720 120.242 118.700 -0.297 0.000 2.462 232 N HA 0.208 4.963 4.740 0.025 0.000 0.242 232 N C -1.627 173.626 175.510 -0.430 0.000 1.010 232 N CA 0.018 52.933 53.050 -0.226 0.000 0.939 232 N CB 0.591 38.932 38.487 -0.243 0.000 1.127 232 N HN 0.473 nan 8.380 nan 0.000 0.509 233 Y N 0.696 121.001 120.300 0.007 0.000 2.385 233 Y HA 0.307 4.872 4.550 0.026 0.000 0.341 233 Y C 0.256 176.103 175.900 -0.089 0.000 0.965 233 Y CA -0.776 57.327 58.100 0.004 0.000 1.180 233 Y CB 1.151 39.693 38.460 0.136 0.000 1.139 233 Y HN 0.132 nan 8.280 nan 0.000 0.502 234 V N 3.787 123.651 119.914 -0.084 0.000 2.325 234 V HA 0.668 4.803 4.120 0.025 0.000 0.280 234 V C -0.162 175.756 176.094 -0.294 0.000 1.016 234 V CA -0.897 61.266 62.300 -0.228 0.000 0.818 234 V CB 1.019 32.638 31.823 -0.341 0.000 1.019 234 V HN 0.827 nan 8.190 nan 0.000 0.434 235 A N 5.292 127.966 122.820 -0.244 0.000 2.276 235 A HA 0.888 5.223 4.320 0.025 0.000 0.316 235 A C -0.937 176.451 177.584 -0.326 0.000 1.229 235 A CA -0.281 51.659 52.037 -0.161 0.000 0.851 235 A CB 0.432 19.444 19.000 0.020 0.000 1.165 235 A HN 0.585 nan 8.150 nan 0.000 0.513 236 F N 1.690 121.656 119.950 0.027 0.000 2.420 236 F HA 0.524 5.066 4.527 0.025 0.000 0.342 236 F C 1.165 176.856 175.800 -0.183 0.000 1.113 236 F CA 0.448 58.432 58.000 -0.026 0.000 1.059 236 F CB 1.793 40.781 39.000 -0.020 0.000 1.128 236 F HN 1.001 nan 8.300 nan 0.000 0.475 237 A N 1.947 124.788 122.820 0.034 0.000 2.799 237 A HA -0.235 4.100 4.320 0.025 0.000 0.287 237 A C 0.767 178.445 177.584 0.157 0.000 1.484 237 A CA 0.775 52.824 52.037 0.020 0.000 0.813 237 A CB -2.040 16.602 19.000 -0.597 0.000 1.009 237 A HN 0.716 nan 8.150 nan 0.000 0.545 238 S N 0.112 115.963 115.700 0.253 0.000 2.531 238 S HA 0.452 4.937 4.470 0.025 0.000 0.279 238 S C -0.249 174.394 174.600 0.072 0.000 1.305 238 S CA -0.709 57.564 58.200 0.121 0.000 1.058 238 S CB 0.723 63.974 63.200 0.086 0.000 0.899 238 S HN 0.397 nan 8.310 nan 0.000 0.493 239 P HA 0.035 nan 4.420 nan 0.000 0.223 239 P C 0.487 177.699 177.300 -0.146 0.000 1.151 239 P CA 0.689 63.724 63.100 -0.108 0.000 0.787 239 P CB -0.289 31.344 31.700 -0.112 0.000 0.788 240 T N -2.764 111.726 114.554 -0.108 0.000 2.942 240 T HA 0.648 5.013 4.350 0.025 0.000 0.289 240 T C -0.717 173.906 174.700 -0.128 0.000 1.044 240 T CA -0.704 61.322 62.100 -0.123 0.000 1.023 240 T CB 1.783 70.608 68.868 -0.071 0.000 1.123 240 T HN -0.178 nan 8.240 nan 0.000 0.512 241 Q N 0.525 120.230 119.800 -0.158 0.000 2.304 241 Q HA 0.484 4.839 4.340 0.025 0.000 0.270 241 Q C -1.893 174.089 176.000 -0.031 0.000 1.035 241 Q CA -0.705 55.021 55.803 -0.130 0.000 0.781 241 Q CB 2.022 30.587 28.738 -0.290 0.000 1.261 241 Q HN 0.777 nan 8.270 nan 0.000 0.444 242 Y N 1.658 121.903 120.300 -0.092 0.000 2.342 242 Y HA 0.368 4.932 4.550 0.024 0.000 0.338 242 Y C 0.031 175.895 175.900 -0.060 0.000 0.965 242 Y CA -0.128 57.925 58.100 -0.078 0.000 1.159 242 Y CB 1.013 39.422 38.460 -0.086 0.000 1.157 242 Y HN 0.767 nan 8.280 nan 0.000 0.486 243 E N 3.692 123.521 120.200 -0.619 0.000 2.539 243 E HA 0.300 4.666 4.350 0.025 0.000 0.215 243 E C -0.063 176.229 176.600 -0.514 0.000 0.965 243 E CA -0.193 55.949 56.400 -0.430 0.000 1.019 243 E CB 0.760 30.334 29.700 -0.209 0.000 1.059 243 E HN 0.626 nan 8.360 nan 0.000 0.496 244 A N 0.915 123.234 122.820 -0.836 0.000 2.451 244 A HA 0.470 4.805 4.320 0.025 0.000 0.266 244 A C 1.188 178.569 177.584 -0.337 0.000 1.119 244 A CA 0.769 52.515 52.037 -0.485 0.000 0.786 244 A CB -0.303 18.500 19.000 -0.329 0.000 1.061 244 A HN 0.310 nan 8.150 nan 0.000 0.503 245 G N 1.516 110.226 108.800 -0.151 0.000 2.175 245 G HA2 0.161 4.136 3.960 0.025 0.000 0.244 245 G HA3 0.161 4.136 3.960 0.025 0.000 0.244 245 G C 1.511 176.384 174.900 -0.045 0.000 0.982 245 G CA 0.678 45.748 45.100 -0.050 0.000 0.641 245 G HN 2.684 nan 8.290 nan 0.000 0.527 246 G N -0.232 108.513 108.800 -0.091 0.000 2.249 246 G HA2 -0.318 3.657 3.960 0.025 0.000 0.273 246 G HA3 -0.318 3.657 3.960 0.025 0.000 0.273 246 G C 0.987 175.871 174.900 -0.027 0.000 1.036 246 G CA 1.605 46.662 45.100 -0.072 0.000 0.824 246 G HN 0.922 nan 8.290 nan 0.000 0.504 247 K N -1.363 119.070 120.400 0.054 0.000 2.243 247 K HA 0.242 4.577 4.320 0.025 0.000 0.201 247 K C 0.892 177.713 176.600 0.369 0.000 1.051 247 K CA 1.018 57.433 56.287 0.214 0.000 0.970 247 K CB 0.554 33.182 32.500 0.212 0.000 0.755 247 K HN 0.345 nan 8.250 nan 0.000 0.465 248 V N 1.963 122.030 119.914 0.256 0.000 2.604 248 V HA 0.329 4.464 4.120 0.025 0.000 0.305 248 V C -0.580 175.678 176.094 0.274 0.000 1.043 248 V CA -0.962 61.528 62.300 0.316 0.000 0.888 248 V CB 2.166 34.105 31.823 0.195 0.000 0.995 248 V HN 0.112 nan 8.190 nan 0.000 0.429 249 I N 4.025 124.789 120.570 0.324 0.000 2.336 249 I HA 0.454 4.639 4.170 0.025 0.000 0.292 249 I C -0.408 175.784 176.117 0.125 0.000 0.991 249 I CA -0.315 61.127 61.300 0.237 0.000 1.227 249 I CB 0.925 39.121 38.000 0.326 0.000 1.366 249 I HN 0.608 nan 8.210 nan 0.000 0.466 250 N N 8.804 127.598 118.700 0.157 0.000 2.546 250 N HA 0.402 5.157 4.740 0.025 0.000 0.238 250 N C -0.960 174.737 175.510 0.311 0.000 0.984 250 N CA -0.216 52.958 53.050 0.206 0.000 0.935 250 N CB 1.454 40.084 38.487 0.239 0.000 1.122 250 N HN 0.491 nan 8.380 nan 0.000 0.510 251 I N 1.208 121.830 120.570 0.086 0.000 2.336 251 I HA 0.573 4.758 4.170 0.025 0.000 0.292 251 I C 0.914 176.870 176.117 -0.268 0.000 0.991 251 I CA -0.356 60.955 61.300 0.018 0.000 1.227 251 I CB 1.794 39.804 38.000 0.016 0.000 1.366 251 I HN 0.367 nan 8.210 nan 0.000 0.466 252 G N 4.155 112.440 108.800 -0.859 0.000 2.495 252 G HA2 0.466 4.441 3.960 0.025 0.000 0.294 252 G HA3 0.466 4.441 3.960 0.025 0.000 0.294 252 G C -2.018 172.284 174.900 -0.995 0.000 1.397 252 G CA -0.568 43.748 45.100 -1.306 0.000 0.790 252 G HN 0.204 nan 8.290 nan 0.000 0.486 253 Y N 0.988 121.024 120.300 -0.440 0.000 2.308 253 Y HA 0.296 4.860 4.550 0.024 0.000 0.329 253 Y C 1.959 177.942 175.900 0.137 0.000 1.111 253 Y CA -0.205 57.797 58.100 -0.163 0.000 1.179 253 Y CB 1.756 40.087 38.460 -0.215 0.000 1.201 253 Y HN 0.834 nan 8.280 nan 0.000 0.483 254 E N 0.699 121.096 120.200 0.329 0.000 2.204 254 E HA -0.212 4.153 4.350 0.025 0.000 0.194 254 E C 0.603 177.313 176.600 0.185 0.000 0.989 254 E CA 1.461 58.048 56.400 0.312 0.000 0.824 254 E CB -0.147 29.684 29.700 0.218 0.000 0.756 254 E HN 0.710 nan 8.360 nan 0.000 0.477 255 N N 1.221 120.004 118.700 0.139 0.000 2.322 255 N HA -0.066 4.689 4.740 0.025 0.000 0.194 255 N C -0.400 175.320 175.510 0.351 0.000 1.126 255 N CA 0.163 53.299 53.050 0.144 0.000 0.845 255 N CB 0.056 38.621 38.487 0.130 0.000 0.976 255 N HN 0.064 nan 8.380 nan 0.000 0.475 256 D N 2.305 122.903 120.400 0.330 0.000 2.336 256 D HA 0.150 4.805 4.640 0.025 0.000 0.249 256 D C -1.490 174.980 176.300 0.283 0.000 1.213 256 D CA -2.187 51.983 54.000 0.284 0.000 0.870 256 D CB 1.658 42.715 40.800 0.428 0.000 1.076 256 D HN 0.048 nan 8.370 nan 0.000 0.483 257 P HA -0.094 nan 4.420 nan 0.000 0.226 257 P C 1.339 178.641 177.300 0.003 0.000 1.153 257 P CA 0.257 63.360 63.100 0.004 0.000 0.777 257 P CB 0.520 31.902 31.700 -0.529 0.000 0.794 258 V N -0.616 119.086 119.914 -0.352 0.000 2.488 258 V HA -0.083 4.052 4.120 0.025 0.000 0.246 258 V C 1.392 177.464 176.094 -0.036 0.000 1.046 258 V CA 0.478 62.536 62.300 -0.403 0.000 1.053 258 V CB -1.261 29.988 31.823 -0.956 0.000 0.679 258 V HN -0.014 nan 8.190 nan 0.000 0.458 259 F N 2.493 122.441 119.950 -0.002 0.000 2.538 259 F HA 0.263 4.806 4.527 0.027 0.000 0.382 259 F C 1.278 177.159 175.800 0.134 0.000 1.069 259 F CA -0.420 57.639 58.000 0.098 0.000 1.138 259 F CB -0.777 38.349 39.000 0.210 0.000 1.068 259 F HN 0.177 nan 8.300 nan 0.000 0.556 260 R N 2.233 122.535 120.500 -0.330 0.000 3.878 260 R HA -0.240 4.115 4.340 0.025 0.000 0.330 260 R C 1.251 177.316 176.300 -0.391 0.000 1.186 260 R CA 0.576 56.465 56.100 -0.352 0.000 0.885 260 R CB -2.138 27.960 30.300 -0.337 0.000 1.377 260 R HN 0.674 nan 8.270 nan 0.000 0.523 261 A N 0.616 123.115 122.820 -0.535 0.000 1.978 261 A HA -0.016 4.319 4.320 0.025 0.000 0.220 261 A C 1.054 178.338 177.584 -0.499 0.000 1.170 261 A CA 1.017 52.501 52.037 -0.922 0.000 0.636 261 A CB 0.004 18.719 19.000 -0.476 0.000 0.810 261 A HN 0.271 nan 8.150 nan 0.000 0.448 262 L N -0.369 120.672 121.223 -0.303 0.000 2.334 262 L HA 0.346 4.701 4.340 0.025 0.000 0.275 262 L C -0.505 176.275 176.870 -0.149 0.000 1.036 262 L CA -0.815 53.905 54.840 -0.200 0.000 0.807 262 L CB 1.279 43.237 42.059 -0.169 0.000 1.231 262 L HN 0.054 nan 8.230 nan 0.000 0.438 263 D N 1.559 121.912 120.400 -0.079 0.000 2.456 263 D HA 0.372 5.027 4.640 0.025 0.000 0.219 263 D C 0.732 176.998 176.300 -0.056 0.000 1.126 263 D CA 0.955 54.960 54.000 0.008 0.000 0.890 263 D CB 0.961 41.792 40.800 0.052 0.000 1.025 263 D HN 0.730 nan 8.370 nan 0.000 0.511 264 G N 3.773 112.470 108.800 -0.171 0.000 3.377 264 G HA2 -0.352 3.623 3.960 0.025 0.000 0.304 264 G HA3 -0.352 3.623 3.960 0.025 0.000 0.304 264 G C 0.818 175.653 174.900 -0.109 0.000 1.366 264 G CA 0.931 45.950 45.100 -0.135 0.000 1.020 264 G HN 0.768 nan 8.290 nan 0.000 0.621 265 T N -2.121 112.394 114.554 -0.064 0.000 3.144 265 T HA 0.615 4.980 4.350 0.025 0.000 0.290 265 T C 0.504 175.164 174.700 -0.068 0.000 0.966 265 T CA 1.094 63.160 62.100 -0.057 0.000 0.907 265 T CB 0.527 69.386 68.868 -0.016 0.000 1.152 265 T HN 0.946 nan 8.240 nan 0.000 0.532 266 S N 2.046 117.704 115.700 -0.070 0.000 2.554 266 S HA 0.621 5.106 4.470 0.025 0.000 0.278 266 S C -0.341 174.190 174.600 -0.115 0.000 1.242 266 S CA -0.776 57.377 58.200 -0.078 0.000 1.051 266 S CB 1.323 64.495 63.200 -0.047 0.000 0.986 266 S HN 0.433 nan 8.310 nan 0.000 0.502 267 L N 4.020 125.148 121.223 -0.158 0.000 2.360 267 L HA 0.466 4.821 4.340 0.025 0.000 0.276 267 L C 0.419 177.221 176.870 -0.113 0.000 1.121 267 L CA 0.637 55.357 54.840 -0.200 0.000 0.845 267 L CB 0.319 42.166 42.059 -0.353 0.000 1.143 267 L HN 0.889 nan 8.230 nan 0.000 0.452 268 T N 1.257 115.763 114.554 -0.079 0.000 2.887 268 T HA 0.343 4.708 4.350 0.025 0.000 0.292 268 T C 0.840 175.542 174.700 0.003 0.000 1.087 268 T CA -0.802 61.282 62.100 -0.027 0.000 1.009 268 T CB 0.851 69.713 68.868 -0.010 0.000 1.203 268 T HN 0.417 nan 8.240 nan 0.000 0.518 269 L N 1.368 122.606 121.223 0.025 0.000 1.990 269 L HA 0.102 4.457 4.340 0.025 0.000 0.213 269 L C -0.782 176.133 176.870 0.075 0.000 1.072 269 L CA 2.099 56.968 54.840 0.048 0.000 0.755 269 L CB -1.516 40.570 42.059 0.046 0.000 0.889 269 L HN 0.616 nan 8.230 nan 0.000 0.432 270 P HA -0.096 nan 4.420 nan 0.000 0.223 270 P C 1.713 179.151 177.300 0.229 0.000 1.144 270 P CA 1.152 64.338 63.100 0.144 0.000 0.783 270 P CB -0.043 31.736 31.700 0.131 0.000 0.771 271 S N -0.455 115.309 115.700 0.107 0.000 2.402 271 S HA -0.115 4.370 4.470 0.025 0.000 0.233 271 S C 1.501 176.196 174.600 0.158 0.000 1.030 271 S CA 1.077 59.300 58.200 0.038 0.000 1.003 271 S CB -0.841 62.314 63.200 -0.076 0.000 0.813 271 S HN 0.233 nan 8.310 nan 0.000 0.477 272 L N 0.279 121.595 121.223 0.155 0.000 2.592 272 L HA 0.283 4.638 4.340 0.025 0.000 0.227 272 L C 1.297 178.271 176.870 0.175 0.000 1.127 272 L CA -0.116 54.819 54.840 0.159 0.000 0.884 272 L CB -0.163 41.974 42.059 0.131 0.000 1.065 272 L HN 0.319 nan 8.230 nan 0.000 0.457 273 G N -0.670 108.265 108.800 0.224 0.000 3.310 273 G HA2 0.419 4.394 3.960 0.025 0.000 0.174 273 G HA3 0.419 4.394 3.960 0.025 0.000 0.174 273 G C -0.819 174.231 174.900 0.249 0.000 1.097 273 G CA -0.265 44.964 45.100 0.214 0.000 0.795 273 G HN -0.252 nan 8.290 nan 0.000 0.670 274 V N 2.388 122.406 119.914 0.173 0.000 2.530 274 V HA 0.346 4.481 4.120 0.025 0.000 0.282 274 V C -0.412 175.657 176.094 -0.043 0.000 1.048 274 V CA -0.286 62.005 62.300 -0.016 0.000 0.997 274 V CB 0.740 32.512 31.823 -0.086 0.000 0.987 274 V HN 0.749 nan 8.190 nan 0.000 0.477 275 H N 1.802 120.924 119.070 0.086 0.000 2.429 275 H HA 0.382 4.952 4.556 0.024 0.000 0.231 275 H C -0.632 174.695 175.328 -0.002 0.000 1.416 275 H CA -0.540 55.530 56.048 0.037 0.000 1.443 275 H CB 0.751 30.542 29.762 0.049 0.000 1.591 275 H HN 0.606 nan 8.280 nan 0.000 0.507 276 D N 2.113 122.518 120.400 0.008 0.000 2.463 276 D HA 0.216 4.871 4.640 0.025 0.000 0.224 276 D C 0.678 176.960 176.300 -0.030 0.000 1.174 276 D CA -0.284 53.712 54.000 -0.006 0.000 0.829 276 D CB 0.298 41.075 40.800 -0.039 0.000 0.993 276 D HN 0.667 nan 8.370 nan 0.000 0.497 277 A N 1.568 124.350 122.820 -0.065 0.000 2.511 277 A HA 0.399 4.734 4.320 0.025 0.000 0.242 277 A C -2.182 175.260 177.584 -0.237 0.000 1.069 277 A CA -0.848 51.106 52.037 -0.138 0.000 0.763 277 A CB 0.007 18.910 19.000 -0.163 0.000 1.001 277 A HN 0.196 nan 8.150 nan 0.000 0.498 278 P HA 0.224 nan 4.420 nan 0.000 0.281 278 P C -0.785 176.380 177.300 -0.225 0.000 1.252 278 P CA 0.135 63.156 63.100 -0.132 0.000 0.778 278 P CB 0.636 32.314 31.700 -0.036 0.000 0.895 279 H N 1.287 120.343 119.070 -0.023 0.000 2.479 279 H HA 0.132 4.702 4.556 0.023 0.000 0.335 279 H C 1.551 176.873 175.328 -0.010 0.000 1.142 279 H CA 0.041 56.069 56.048 -0.033 0.000 1.234 279 H CB 1.619 31.340 29.762 -0.069 0.000 1.503 279 H HN 0.421 nan 8.280 nan 0.000 0.510 280 T N -0.886 113.740 114.554 0.120 0.000 2.788 280 T HA -0.189 4.176 4.350 0.025 0.000 0.268 280 T C 1.878 176.616 174.700 0.065 0.000 1.044 280 T CA 1.512 63.648 62.100 0.061 0.000 1.139 280 T CB -0.239 68.644 68.868 0.024 0.000 0.867 280 T HN 0.502 nan 8.240 nan 0.000 0.454 281 S N 1.027 116.768 115.700 0.068 0.000 2.603 281 S HA 0.565 5.050 4.470 0.025 0.000 0.220 281 S C 0.793 175.470 174.600 0.128 0.000 0.967 281 S CA -0.243 58.001 58.200 0.072 0.000 0.920 281 S CB -0.389 62.832 63.200 0.035 0.000 0.773 281 S HN 0.867 nan 8.310 nan 0.000 0.529 282 A N 2.008 124.921 122.820 0.155 0.000 2.320 282 A HA 0.645 4.980 4.320 0.025 0.000 0.334 282 A C 0.340 178.075 177.584 0.252 0.000 1.147 282 A CA -0.508 51.675 52.037 0.243 0.000 0.820 282 A CB 0.679 19.800 19.000 0.200 0.000 1.218 282 A HN 0.473 nan 8.150 nan 0.000 0.482 283 T N 0.389 115.145 114.554 0.337 0.000 2.776 283 T HA 0.175 4.540 4.350 0.025 0.000 0.292 283 T C 0.257 175.146 174.700 0.315 0.000 0.921 283 T CA -0.566 61.683 62.100 0.249 0.000 1.038 283 T CB -0.127 68.865 68.868 0.208 0.000 0.910 283 T HN 0.532 nan 8.240 nan 0.000 0.536 284 N N 3.095 121.924 118.700 0.215 0.000 2.412 284 N HA 0.008 4.763 4.740 0.025 0.000 0.184 284 N C 0.164 175.796 175.510 0.204 0.000 1.101 284 N CA 0.132 53.315 53.050 0.222 0.000 0.881 284 N CB 0.245 38.810 38.487 0.131 0.000 0.969 284 N HN 0.610 nan 8.380 nan 0.000 0.459 285 N N 0.546 119.331 118.700 0.143 0.000 2.536 285 N HA 0.239 4.995 4.740 0.025 0.000 0.286 285 N C -0.691 174.826 175.510 0.011 0.000 1.577 285 N CA -0.048 53.050 53.050 0.080 0.000 0.883 285 N CB 1.402 39.904 38.487 0.025 0.000 1.390 285 N HN 0.107 nan 8.380 nan 0.000 0.491 286 I N 1.155 121.767 120.570 0.070 0.000 2.321 286 I HA 0.295 4.480 4.170 0.025 0.000 0.291 286 I C 0.060 176.267 176.117 0.150 0.000 0.998 286 I CA -0.850 60.490 61.300 0.066 0.000 1.227 286 I CB 1.597 39.603 38.000 0.011 0.000 1.368 286 I HN -0.325 nan 8.210 nan 0.000 0.466 287 V N 5.651 125.613 119.914 0.080 0.000 2.394 287 V HA 0.193 4.328 4.120 0.025 0.000 0.282 287 V C 0.330 176.324 176.094 -0.166 0.000 1.031 287 V CA -0.695 61.558 62.300 -0.079 0.000 0.881 287 V CB 1.543 33.247 31.823 -0.197 0.000 0.982 287 V HN 0.656 nan 8.190 nan 0.000 0.451 288 N N 4.092 122.463 118.700 -0.548 0.000 2.482 288 N HA 0.099 4.854 4.740 0.025 0.000 0.242 288 N C -0.761 174.368 175.510 -0.635 0.000 1.100 288 N CA -0.249 52.211 53.050 -0.984 0.000 0.946 288 N CB 0.068 37.582 38.487 -1.621 0.000 1.227 288 N HN 0.586 nan 8.380 nan 0.000 0.508 289 F N 4.362 124.039 119.950 -0.455 0.000 2.567 289 F HA 0.216 4.759 4.527 0.026 0.000 0.352 289 F C 0.173 175.909 175.800 -0.106 0.000 1.229 289 F CA -0.751 57.114 58.000 -0.225 0.000 1.228 289 F CB -0.262 38.704 39.000 -0.058 0.000 1.568 289 F HN 0.459 nan 8.300 nan 0.000 0.634 290 N N 0.874 119.427 118.700 -0.244 0.000 2.741 290 N HA 0.248 5.003 4.740 0.025 0.000 0.310 290 N C 0.387 175.893 175.510 -0.007 0.000 1.295 290 N CA -0.730 52.252 53.050 -0.115 0.000 0.893 290 N CB 0.325 38.504 38.487 -0.513 0.000 1.247 290 N HN 0.076 nan 8.380 nan 0.000 0.596 291 D N -1.595 118.928 120.400 0.204 0.000 2.149 291 D HA -0.194 4.461 4.640 0.025 0.000 0.198 291 D C 1.337 177.765 176.300 0.214 0.000 0.990 291 D CA 1.269 55.420 54.000 0.252 0.000 0.839 291 D CB -0.358 40.689 40.800 0.413 0.000 0.948 291 D HN 0.624 nan 8.370 nan 0.000 0.460 292 H N -0.598 118.452 119.070 -0.034 0.000 2.299 292 H HA -0.177 4.394 4.556 0.025 0.000 0.302 292 H C 2.013 177.344 175.328 0.005 0.000 1.078 292 H CA 1.367 57.365 56.048 -0.084 0.000 1.323 292 H CB -0.496 29.046 29.762 -0.367 0.000 1.381 292 H HN 0.207 nan 8.280 nan 0.000 0.498 293 Y N 1.169 121.426 120.300 -0.071 0.000 2.165 293 Y HA -0.199 4.365 4.550 0.024 0.000 0.286 293 Y C 2.701 178.400 175.900 -0.335 0.000 1.155 293 Y CA 1.996 59.984 58.100 -0.187 0.000 1.164 293 Y CB -0.586 37.666 38.460 -0.347 0.000 0.978 293 Y HN 0.304 nan 8.280 nan 0.000 0.513 294 A N -1.016 121.592 122.820 -0.354 0.000 2.067 294 A HA -0.041 4.294 4.320 0.025 0.000 0.219 294 A C 1.497 179.022 177.584 -0.099 0.000 1.158 294 A CA 0.977 52.817 52.037 -0.327 0.000 0.661 294 A CB -0.754 18.169 19.000 -0.128 0.000 0.801 294 A HN 0.312 nan 8.150 nan 0.000 0.452 295 S N 0.174 115.850 115.700 -0.039 0.000 2.439 295 S HA 0.253 4.738 4.470 0.025 0.000 0.282 295 S C 0.325 174.924 174.600 -0.002 0.000 1.170 295 S CA -0.641 57.596 58.200 0.060 0.000 1.054 295 S CB 0.272 63.639 63.200 0.279 0.000 0.956 295 S HN 0.350 nan 8.310 nan 0.000 0.490 296 D N 4.614 125.010 120.400 -0.007 0.000 2.123 296 D HA -0.078 4.577 4.640 0.025 0.000 0.196 296 D C 2.107 178.396 176.300 -0.018 0.000 0.992 296 D CA 1.611 55.599 54.000 -0.020 0.000 0.833 296 D CB -0.368 40.427 40.800 -0.009 0.000 0.954 296 D HN 0.672 nan 8.370 nan 0.000 0.455 297 A N 0.116 122.913 122.820 -0.039 0.000 1.877 297 A HA -0.162 4.173 4.320 0.025 0.000 0.216 297 A C 2.217 179.741 177.584 -0.100 0.000 1.186 297 A CA 1.209 53.183 52.037 -0.106 0.000 0.620 297 A CB -1.326 17.559 19.000 -0.192 0.000 0.822 297 A HN 0.322 nan 8.150 nan 0.000 0.443 298 W N 0.372 121.628 121.300 -0.073 0.000 2.350 298 W HA -0.123 4.551 4.660 0.024 0.000 0.289 298 W C 1.699 178.162 176.519 -0.094 0.000 1.215 298 W CA 1.072 58.355 57.345 -0.103 0.000 1.236 298 W CB -0.059 29.213 29.460 -0.313 0.000 1.130 298 W HN 0.329 nan 8.180 nan 0.000 0.541 299 N N 0.172 118.935 118.700 0.105 0.000 2.322 299 N HA 0.055 4.810 4.740 0.025 0.000 0.194 299 N C 1.310 176.874 175.510 0.089 0.000 1.126 299 N CA 0.461 53.564 53.050 0.088 0.000 0.845 299 N CB -0.080 38.406 38.487 -0.003 0.000 0.976 299 N HN 0.264 nan 8.380 nan 0.000 0.475 300 L N 0.272 121.539 121.223 0.074 0.000 2.376 300 L HA 0.043 4.398 4.340 0.025 0.000 0.219 300 L C 0.618 177.543 176.870 0.091 0.000 1.133 300 L CA 0.634 55.509 54.840 0.058 0.000 0.816 300 L CB -0.053 42.020 42.059 0.023 0.000 0.933 300 L HN 0.035 nan 8.230 nan 0.000 0.449 301 L N 0.138 121.448 121.223 0.145 0.000 2.334 301 L HA 0.314 4.669 4.340 0.025 0.000 0.277 301 L C -2.078 174.904 176.870 0.186 0.000 1.075 301 L CA -2.146 52.794 54.840 0.167 0.000 0.804 301 L CB 0.218 42.414 42.059 0.229 0.000 1.174 301 L HN -0.235 nan 8.230 nan 0.000 0.438 302 P HA -0.033 nan 4.420 nan 0.000 0.268 302 P C -0.599 176.832 177.300 0.219 0.000 1.204 302 P CA -0.122 63.083 63.100 0.174 0.000 0.768 302 P CB 0.229 32.010 31.700 0.134 0.000 0.842 303 F N 3.050 123.063 119.950 0.106 0.000 2.578 303 F HA 0.300 4.841 4.527 0.023 0.000 0.376 303 F C 0.598 176.443 175.800 0.075 0.000 1.085 303 F CA 1.401 59.459 58.000 0.097 0.000 1.260 303 F CB 0.334 39.369 39.000 0.059 0.000 1.095 303 F HN 0.265 nan 8.300 nan 0.000 0.573 304 S N 5.941 121.392 115.700 -0.415 0.000 2.606 304 S HA 0.179 4.664 4.470 0.025 0.000 0.290 304 S C 0.258 174.731 174.600 -0.211 0.000 1.103 304 S CA -0.840 57.257 58.200 -0.173 0.000 0.870 304 S CB 0.621 63.837 63.200 0.027 0.000 1.077 304 S HN 0.841 nan 8.310 nan 0.000 0.448 305 I N 3.999 124.540 120.570 -0.047 0.000 2.700 305 I HA -0.047 4.138 4.170 0.025 0.000 0.261 305 I C 1.178 177.509 176.117 0.356 0.000 1.219 305 I CA 1.205 62.585 61.300 0.134 0.000 1.463 305 I CB -0.011 38.070 38.000 0.134 0.000 1.092 305 I HN 0.720 nan 8.210 nan 0.000 0.452 306 L N 0.135 121.468 121.223 0.183 0.000 2.492 306 L HA 0.002 4.357 4.340 0.025 0.000 0.223 306 L C 0.771 177.706 176.870 0.109 0.000 1.132 306 L CA 0.064 54.990 54.840 0.143 0.000 0.850 306 L CB -0.535 41.588 42.059 0.107 0.000 0.966 306 L HN 0.221 nan 8.230 nan 0.000 0.454 307 N N 1.010 119.776 118.700 0.110 0.000 2.558 307 N HA 0.082 4.837 4.740 0.025 0.000 0.233 307 N C 1.011 176.602 175.510 0.135 0.000 1.038 307 N CA -0.159 52.951 53.050 0.100 0.000 0.934 307 N CB 0.659 39.192 38.487 0.076 0.000 1.175 307 N HN -0.055 nan 8.380 nan 0.000 0.512 308 I N 4.338 124.953 120.570 0.075 0.000 2.208 308 I HA -0.143 4.042 4.170 0.025 0.000 0.245 308 I C -0.673 175.512 176.117 0.113 0.000 1.097 308 I CA 0.944 62.240 61.300 -0.008 0.000 1.363 308 I CB -2.214 35.728 38.000 -0.096 0.000 1.051 308 I HN 0.423 nan 8.210 nan 0.000 0.413 309 P HA -0.177 nan 4.420 nan 0.000 0.217 309 P C 1.751 178.950 177.300 -0.167 0.000 1.148 309 P CA 2.260 65.391 63.100 0.052 0.000 0.834 309 P CB -0.370 31.268 31.700 -0.104 0.000 0.783 310 T N -5.772 108.644 114.554 -0.230 0.000 2.977 310 T HA -0.173 4.192 4.350 0.025 0.000 0.271 310 T C 1.368 175.903 174.700 -0.274 0.000 1.105 310 T CA 0.569 62.358 62.100 -0.519 0.000 1.116 310 T CB -1.241 67.316 68.868 -0.519 0.000 0.878 310 T HN 0.069 nan 8.240 nan 0.000 0.509 311 W N 0.790 121.934 121.300 -0.260 0.000 2.611 311 W HA 0.272 4.944 4.660 0.021 0.000 0.251 311 W C 1.924 178.350 176.519 -0.156 0.000 1.265 311 W CA -0.497 56.764 57.345 -0.140 0.000 1.295 311 W CB -0.880 28.543 29.460 -0.061 0.000 1.129 311 W HN 0.245 nan 8.180 nan 0.000 0.630 312 L N 0.468 121.626 121.223 -0.108 0.000 2.051 312 L HA -0.295 4.060 4.340 0.025 0.000 0.214 312 L C 2.145 178.840 176.870 -0.291 0.000 1.076 312 L CA 2.208 56.858 54.840 -0.317 0.000 0.758 312 L CB -1.073 40.512 42.059 -0.790 0.000 0.890 312 L HN -0.220 nan 8.230 nan 0.000 0.433 313 S N -2.074 113.430 115.700 -0.326 0.000 2.515 313 S HA -0.153 4.332 4.470 0.025 0.000 0.231 313 S C 1.649 176.249 174.600 -0.001 0.000 0.987 313 S CA 0.918 58.899 58.200 -0.366 0.000 0.936 313 S CB -0.569 62.461 63.200 -0.283 0.000 0.766 313 S HN 0.696 nan 8.310 nan 0.000 0.528 314 H N 0.793 119.856 119.070 -0.012 0.000 2.562 314 H HA 0.339 4.911 4.556 0.027 0.000 0.267 314 H C 0.278 175.709 175.328 0.170 0.000 0.959 314 H CA -0.069 56.062 56.048 0.138 0.000 1.204 314 H CB -0.105 29.613 29.762 -0.073 0.000 1.430 314 H HN 0.226 nan 8.280 nan 0.000 0.545 315 L N 2.424 123.624 121.223 -0.040 0.000 2.490 315 L HA 0.057 4.412 4.340 0.025 0.000 0.274 315 L C -1.069 175.526 176.870 -0.458 0.000 1.201 315 L CA -1.284 53.333 54.840 -0.371 0.000 0.869 315 L CB 0.651 42.324 42.059 -0.642 0.000 1.123 315 L HN 0.204 nan 8.230 nan 0.000 0.484 316 P HA -0.234 nan 4.420 nan 0.000 0.218 316 P C 1.427 178.519 177.300 -0.347 0.000 1.148 316 P CA 1.394 64.023 63.100 -0.786 0.000 0.822 316 P CB -0.063 30.974 31.700 -1.105 0.000 0.784 317 F N -2.011 117.746 119.950 -0.323 0.000 2.216 317 F HA -0.081 4.462 4.527 0.026 0.000 0.300 317 F C 1.788 177.515 175.800 -0.122 0.000 1.085 317 F CA 0.894 58.752 58.000 -0.236 0.000 1.326 317 F CB -1.814 37.025 39.000 -0.269 0.000 1.027 317 F HN -0.257 nan 8.300 nan 0.000 0.497 318 F N -0.221 119.333 119.950 -0.660 0.000 2.186 318 F HA -0.063 4.479 4.527 0.025 0.000 0.299 318 F C 2.175 177.978 175.800 0.005 0.000 1.090 318 F CA 0.891 58.680 58.000 -0.352 0.000 1.307 318 F CB -1.295 37.382 39.000 -0.539 0.000 1.019 318 F HN -0.036 nan 8.300 nan 0.000 0.489 319 Y N -0.120 120.231 120.300 0.086 0.000 2.133 319 Y HA -0.228 4.336 4.550 0.025 0.000 0.287 319 Y C 2.750 178.600 175.900 -0.083 0.000 1.134 319 Y CA 1.820 59.924 58.100 0.006 0.000 1.133 319 Y CB -0.852 37.514 38.460 -0.158 0.000 0.987 319 Y HN -0.035 nan 8.280 nan 0.000 0.502 320 Q N 0.774 120.585 119.800 0.018 0.000 2.002 320 Q HA -0.253 4.102 4.340 0.025 0.000 0.204 320 Q C 1.943 177.979 176.000 0.059 0.000 0.988 320 Q CA 2.206 57.989 55.803 -0.035 0.000 0.843 320 Q CB -0.691 28.023 28.738 -0.040 0.000 0.908 320 Q HN 0.547 nan 8.270 nan 0.000 0.420 321 D N -1.414 119.062 120.400 0.126 0.000 2.123 321 D HA -0.100 4.555 4.640 0.025 0.000 0.200 321 D C 1.748 178.163 176.300 0.191 0.000 0.976 321 D CA 1.335 55.432 54.000 0.162 0.000 0.831 321 D CB -0.045 40.885 40.800 0.216 0.000 0.974 321 D HN 0.394 nan 8.370 nan 0.000 0.469 322 G N 1.053 109.995 108.800 0.236 0.000 2.394 322 G HA2 -0.134 3.841 3.960 0.025 0.000 0.214 322 G HA3 -0.134 3.841 3.960 0.025 0.000 0.214 322 G C 1.982 177.024 174.900 0.237 0.000 1.176 322 G CA 0.239 45.498 45.100 0.265 0.000 0.786 322 G HN 0.289 nan 8.290 nan 0.000 0.533 323 L N 0.133 121.475 121.223 0.199 0.000 2.217 323 L HA 0.026 4.381 4.340 0.025 0.000 0.211 323 L C 2.944 180.021 176.870 0.345 0.000 1.107 323 L CA 0.264 55.265 54.840 0.267 0.000 0.783 323 L CB -0.338 41.876 42.059 0.258 0.000 0.919 323 L HN 0.122 nan 8.230 nan 0.000 0.442 324 M N -0.252 119.502 119.600 0.257 0.000 2.159 324 M HA -0.162 4.333 4.480 0.025 0.000 0.263 324 M C 2.326 178.741 176.300 0.192 0.000 1.063 324 M CA 1.658 57.096 55.300 0.230 0.000 1.110 324 M CB -0.986 31.699 32.600 0.142 0.000 1.374 324 M HN 0.194 nan 8.290 nan 0.000 0.411 325 R N -0.747 119.862 120.500 0.181 0.000 2.115 325 R HA -0.056 4.299 4.340 0.025 0.000 0.230 325 R C 2.228 178.629 176.300 0.168 0.000 1.111 325 R CA 0.874 57.069 56.100 0.158 0.000 0.976 325 R CB -0.279 30.117 30.300 0.160 0.000 0.870 325 R HN 0.201 nan 8.270 nan 0.000 0.445 326 V N 1.260 121.299 119.914 0.208 0.000 2.270 326 V HA -0.232 3.903 4.120 0.025 0.000 0.245 326 V C 2.181 178.402 176.094 0.212 0.000 1.043 326 V CA 1.513 63.926 62.300 0.187 0.000 1.014 326 V CB -0.422 31.520 31.823 0.198 0.000 0.645 326 V HN 0.243 nan 8.190 nan 0.000 0.447 327 L N 0.734 122.119 121.223 0.269 0.000 2.079 327 L HA -0.197 4.158 4.340 0.025 0.000 0.210 327 L C 1.783 178.613 176.870 -0.066 0.000 1.081 327 L CA 2.206 57.091 54.840 0.076 0.000 0.752 327 L CB -0.760 41.386 42.059 0.144 0.000 0.896 327 L HN 0.407 nan 8.230 nan 0.000 0.433 328 N N -1.417 117.309 118.700 0.043 0.000 2.322 328 N HA 0.017 4.772 4.740 0.025 0.000 0.194 328 N C 0.187 175.716 175.510 0.032 0.000 1.126 328 N CA 0.033 53.093 53.050 0.016 0.000 0.845 328 N CB 0.168 38.680 38.487 0.041 0.000 0.976 328 N HN 0.233 nan 8.380 nan 0.000 0.475 329 S N 0.766 116.511 115.700 0.075 0.000 2.549 329 S HA -0.038 4.447 4.470 0.025 0.000 0.283 329 S C 1.255 175.866 174.600 0.018 0.000 1.320 329 S CA -0.277 57.968 58.200 0.075 0.000 1.058 329 S CB 1.031 64.317 63.200 0.143 0.000 0.882 329 S HN 0.265 nan 8.310 nan 0.000 0.498 330 E N 2.569 122.695 120.200 -0.122 0.000 2.265 330 E HA -0.126 4.239 4.350 0.025 0.000 0.196 330 E C 0.252 176.722 176.600 -0.216 0.000 0.996 330 E CA 1.123 57.380 56.400 -0.237 0.000 0.832 330 E CB -0.035 29.401 29.700 -0.439 0.000 0.756 330 E HN 0.846 nan 8.360 nan 0.000 0.491 331 F N -0.991 119.027 119.950 0.114 0.000 2.732 331 F HA 0.084 4.626 4.527 0.025 0.000 0.303 331 F C 1.415 177.167 175.800 -0.081 0.000 1.110 331 F CA -0.243 57.808 58.000 0.085 0.000 1.355 331 F CB -0.509 38.628 39.000 0.229 0.000 1.081 331 F HN 0.088 nan 8.300 nan 0.000 0.565 332 Y N 1.597 121.875 120.300 -0.037 0.000 2.151 332 Y HA -0.337 4.228 4.550 0.025 0.000 0.284 332 Y C 2.588 178.378 175.900 -0.183 0.000 1.166 332 Y CA 1.970 59.963 58.100 -0.178 0.000 1.163 332 Y CB -0.327 38.053 38.460 -0.133 0.000 0.974 332 Y HN 0.109 nan 8.280 nan 0.000 0.511 333 S N -0.667 115.075 115.700 0.070 0.000 2.555 333 S HA -0.086 4.399 4.470 0.025 0.000 0.230 333 S C 1.531 176.081 174.600 -0.083 0.000 0.978 333 S CA 1.021 59.246 58.200 0.041 0.000 0.934 333 S CB -0.684 62.601 63.200 0.142 0.000 0.766 333 S HN 0.539 nan 8.310 nan 0.000 0.533 334 L N 1.916 123.012 121.223 -0.211 0.000 2.567 334 L HA 0.164 4.519 4.340 0.025 0.000 0.225 334 L C 1.195 177.568 176.870 -0.827 0.000 1.119 334 L CA 0.248 54.824 54.840 -0.441 0.000 0.871 334 L CB -0.377 41.549 42.059 -0.223 0.000 1.036 334 L HN 0.450 nan 8.230 nan 0.000 0.459 335 T N -3.256 110.823 114.554 -0.792 0.000 2.899 335 T HA 0.368 4.733 4.350 0.025 0.000 0.284 335 T C -0.334 174.047 174.700 -0.531 0.000 1.004 335 T CA -0.808 60.774 62.100 -0.863 0.000 1.043 335 T CB 2.036 70.225 68.868 -1.132 0.000 1.013 335 T HN -0.110 nan 8.240 nan 0.000 0.518 336 D N 0.204 120.392 120.400 -0.352 0.000 2.477 336 D HA 0.267 4.922 4.640 0.025 0.000 0.234 336 D C 1.014 177.200 176.300 -0.190 0.000 1.048 336 D CA -0.871 53.030 54.000 -0.166 0.000 0.959 336 D CB 2.311 43.113 40.800 0.003 0.000 1.408 336 D HN 0.711 nan 8.370 nan 0.000 0.496 337 K N 0.124 120.461 120.400 -0.104 0.000 2.077 337 K HA -0.209 4.126 4.320 0.025 0.000 0.213 337 K C 0.250 176.829 176.600 -0.036 0.000 1.051 337 K CA 1.710 57.965 56.287 -0.053 0.000 0.929 337 K CB 0.138 32.647 32.500 0.016 0.000 0.715 337 K HN 0.263 nan 8.250 nan 0.000 0.451 338 D N 0.612 121.003 120.400 -0.015 0.000 2.388 338 D HA 0.084 4.739 4.640 0.025 0.000 0.221 338 D C -0.529 175.773 176.300 0.003 0.000 1.133 338 D CA 0.077 54.086 54.000 0.015 0.000 0.831 338 D CB 0.561 41.385 40.800 0.041 0.000 0.962 338 D HN 0.066 nan 8.370 nan 0.000 0.502 339 S N 0.528 116.199 115.700 -0.047 0.000 2.558 339 S HA 0.023 4.508 4.470 0.025 0.000 0.293 339 S C 0.633 175.234 174.600 0.003 0.000 1.292 339 S CA 0.197 58.392 58.200 -0.008 0.000 1.063 339 S CB 0.653 63.774 63.200 -0.131 0.000 0.831 339 S HN 0.110 nan 8.310 nan 0.000 0.499 340 T N 4.591 119.172 114.554 0.045 0.000 2.751 340 T HA 0.285 4.650 4.350 0.025 0.000 0.290 340 T C 0.130 174.868 174.700 0.063 0.000 0.919 340 T CA 0.168 62.227 62.100 -0.068 0.000 1.136 340 T CB -0.568 68.205 68.868 -0.159 0.000 0.875 340 T HN 0.385 nan 8.240 nan 0.000 0.532 341 I N 4.889 125.462 120.570 0.005 0.000 2.439 341 I HA 0.349 4.534 4.170 0.025 0.000 0.285 341 I C -0.496 175.657 176.117 0.059 0.000 1.021 341 I CA -1.020 60.324 61.300 0.074 0.000 1.091 341 I CB 1.672 39.666 38.000 -0.010 0.000 1.242 341 I HN 0.348 nan 8.210 nan 0.000 0.439 342 I N 7.263 127.890 120.570 0.094 0.000 2.304 342 I HA 0.277 4.462 4.170 0.025 0.000 0.291 342 I C 0.080 176.262 176.117 0.108 0.000 1.018 342 I CA -0.689 60.663 61.300 0.087 0.000 1.260 342 I CB 1.284 39.334 38.000 0.084 0.000 1.390 342 I HN 0.142 nan 8.210 nan 0.000 0.475 343 V N 5.261 125.243 119.914 0.114 0.000 2.350 343 V HA 0.198 4.333 4.120 0.025 0.000 0.276 343 V C 0.785 176.955 176.094 0.127 0.000 1.028 343 V CA -0.597 61.786 62.300 0.138 0.000 0.860 343 V CB 1.452 33.396 31.823 0.202 0.000 0.990 343 V HN 0.851 nan 8.190 nan 0.000 0.453 344 S N 4.845 120.624 115.700 0.133 0.000 2.481 344 S HA 0.168 4.653 4.470 0.025 0.000 0.282 344 S C 0.532 175.261 174.600 0.215 0.000 1.243 344 S CA -0.124 58.171 58.200 0.159 0.000 1.078 344 S CB -0.225 63.036 63.200 0.102 0.000 0.916 344 S HN 0.775 nan 8.310 nan 0.000 0.495 345 N N 4.726 123.579 118.700 0.254 0.000 2.598 345 N HA 0.237 4.992 4.740 0.025 0.000 0.295 345 N C -0.905 174.880 175.510 0.458 0.000 1.729 345 N CA -0.203 53.048 53.050 0.336 0.000 0.877 345 N CB 0.430 38.946 38.487 0.048 0.000 1.405 345 N HN 0.523 nan 8.380 nan 0.000 0.491 346 L N 0.913 122.383 121.223 0.413 0.000 2.436 346 L HA 0.286 4.641 4.340 0.025 0.000 0.265 346 L C 1.395 178.448 176.870 0.304 0.000 1.168 346 L CA -0.255 54.805 54.840 0.367 0.000 0.815 346 L CB 0.633 42.857 42.059 0.275 0.000 1.109 346 L HN 0.162 nan 8.230 nan 0.000 0.462 347 S N 0.406 116.104 115.700 -0.004 0.000 2.634 347 S HA 0.130 4.615 4.470 0.025 0.000 0.261 347 S C 0.790 175.400 174.600 0.017 0.000 1.271 347 S CA -0.720 57.338 58.200 -0.236 0.000 0.985 347 S CB 0.623 63.471 63.200 -0.587 0.000 0.968 347 S HN 0.595 nan 8.310 nan 0.000 0.568 348 N N 0.325 119.047 118.700 0.037 0.000 2.381 348 N HA -0.050 4.705 4.740 0.025 0.000 0.182 348 N C 1.602 177.119 175.510 0.011 0.000 1.025 348 N CA 0.729 53.803 53.050 0.041 0.000 0.888 348 N CB -0.874 37.637 38.487 0.040 0.000 0.965 348 N HN 0.451 nan 8.380 nan 0.000 0.438 349 V N 0.690 120.599 119.914 -0.008 0.000 2.515 349 V HA -0.146 3.989 4.120 0.025 0.000 0.250 349 V C 2.230 178.337 176.094 0.021 0.000 1.058 349 V CA 2.166 64.468 62.300 0.004 0.000 1.064 349 V CB -0.825 31.001 31.823 0.004 0.000 0.675 349 V HN 0.525 nan 8.190 nan 0.000 0.461 350 T N -3.041 111.533 114.554 0.033 0.000 2.985 350 T HA 0.075 4.440 4.350 0.025 0.000 0.254 350 T C 1.784 176.508 174.700 0.039 0.000 1.021 350 T CA 0.116 62.250 62.100 0.057 0.000 0.957 350 T CB -0.039 68.895 68.868 0.109 0.000 1.047 350 T HN 0.288 nan 8.240 nan 0.000 0.511 351 R N 1.276 121.796 120.500 0.032 0.000 2.105 351 R HA 0.015 4.370 4.340 0.025 0.000 0.239 351 R C 2.409 178.659 176.300 -0.083 0.000 1.135 351 R CA 1.652 57.755 56.100 0.005 0.000 0.967 351 R CB -0.718 29.599 30.300 0.027 0.000 0.861 351 R HN 0.505 nan 8.270 nan 0.000 0.442 352 G N -0.495 108.260 108.800 -0.075 0.000 2.813 352 G HA2 -0.152 3.823 3.960 0.025 0.000 0.209 352 G HA3 -0.152 3.823 3.960 0.025 0.000 0.209 352 G C 0.455 175.265 174.900 -0.149 0.000 1.150 352 G CA 0.438 45.466 45.100 -0.119 0.000 0.785 352 G HN 0.616 nan 8.290 nan 0.000 0.535 353 N N -1.537 117.095 118.700 -0.115 0.000 2.184 353 N HA 0.151 4.906 4.740 0.025 0.000 0.234 353 N C -0.348 175.120 175.510 -0.070 0.000 1.282 353 N CA -0.185 52.813 53.050 -0.087 0.000 0.877 353 N CB 0.783 39.263 38.487 -0.011 0.000 1.184 353 N HN -0.103 nan 8.380 nan 0.000 0.510 354 T N 0.436 114.917 114.554 -0.121 0.000 2.881 354 T HA 0.272 4.637 4.350 0.025 0.000 0.291 354 T C -1.225 173.410 174.700 -0.108 0.000 0.990 354 T CA -0.421 61.690 62.100 0.019 0.000 0.976 354 T CB 0.649 69.619 68.868 0.169 0.000 0.970 354 T HN 0.146 nan 8.240 nan 0.000 0.438 355 W N 2.607 123.952 121.300 0.074 0.000 2.304 355 W HA 0.435 5.110 4.660 0.024 0.000 0.313 355 W C 0.028 176.461 176.519 -0.144 0.000 1.323 355 W CA -0.693 56.640 57.345 -0.021 0.000 1.223 355 W CB 0.372 29.823 29.460 -0.014 0.000 1.237 355 W HN 0.313 nan 8.180 nan 0.000 0.535 356 V N 5.052 124.839 119.914 -0.212 0.000 2.439 356 V HA 0.192 4.327 4.120 0.025 0.000 0.271 356 V C 0.156 175.982 176.094 -0.448 0.000 1.040 356 V CA -0.246 61.535 62.300 -0.865 0.000 1.002 356 V CB -0.260 31.205 31.823 -0.596 0.000 1.000 356 V HN 0.652 nan 8.190 nan 0.000 0.477 357 E N 2.487 122.397 120.200 -0.482 0.000 2.423 357 E HA 0.340 4.705 4.350 0.025 0.000 0.280 357 E C -1.460 175.274 176.600 0.224 0.000 1.030 357 E CA -1.020 55.383 56.400 0.005 0.000 0.812 357 E CB 1.351 31.120 29.700 0.116 0.000 1.313 357 E HN 0.334 nan 8.360 nan 0.000 0.456 358 D N 1.613 122.148 120.400 0.225 0.000 2.416 358 D HA 0.134 4.789 4.640 0.025 0.000 0.240 358 D C 0.497 176.996 176.300 0.333 0.000 1.250 358 D CA -0.009 54.184 54.000 0.321 0.000 0.967 358 D CB 0.314 41.276 40.800 0.270 0.000 1.059 358 D HN 0.532 nan 8.370 nan 0.000 0.512 359 L N 2.894 124.381 121.223 0.440 0.000 2.313 359 L HA 0.007 4.362 4.340 0.025 0.000 0.214 359 L C 1.220 178.202 176.870 0.186 0.000 1.119 359 L CA 0.167 55.164 54.840 0.260 0.000 0.809 359 L CB -0.542 41.598 42.059 0.135 0.000 0.933 359 L HN 0.545 nan 8.230 nan 0.000 0.449 360 N N 0.277 119.158 118.700 0.303 0.000 2.725 360 N HA -0.222 4.533 4.740 0.025 0.000 0.249 360 N C 0.338 175.861 175.510 0.022 0.000 1.103 360 N CA 0.138 53.233 53.050 0.075 0.000 0.707 360 N CB -0.416 38.008 38.487 -0.105 0.000 1.043 360 N HN 0.245 nan 8.380 nan 0.000 0.553 361 R N 0.732 121.296 120.500 0.107 0.000 2.491 361 R HA 0.099 4.454 4.340 0.025 0.000 0.283 361 R C 0.089 176.368 176.300 -0.035 0.000 1.072 361 R CA 0.348 56.416 56.100 -0.053 0.000 1.048 361 R CB 0.160 30.252 30.300 -0.346 0.000 0.983 361 R HN 0.411 nan 8.270 nan 0.000 0.450 362 N N 0.520 119.151 118.700 -0.114 0.000 2.688 362 N HA -0.284 4.471 4.740 0.025 0.000 0.258 362 N C -1.486 173.866 175.510 -0.263 0.000 1.016 362 N CA 0.700 53.608 53.050 -0.237 0.000 0.747 362 N CB -0.424 37.782 38.487 -0.468 0.000 0.895 362 N HN 0.674 nan 8.380 nan 0.000 0.543 363 A N -0.179 122.547 122.820 -0.157 0.000 2.599 363 A HA 0.437 4.772 4.320 0.025 0.000 0.294 363 A C -0.627 176.881 177.584 -0.127 0.000 1.055 363 A CA -0.878 51.087 52.037 -0.121 0.000 0.683 363 A CB 1.082 20.055 19.000 -0.044 0.000 1.278 363 A HN 0.219 nan 8.150 nan 0.000 0.412 364 E N 0.889 121.041 120.200 -0.080 0.000 2.436 364 E HA 0.214 4.579 4.350 0.025 0.000 0.262 364 E C -0.171 176.347 176.600 -0.137 0.000 1.063 364 E CA 0.362 56.721 56.400 -0.069 0.000 0.944 364 E CB 0.278 29.968 29.700 -0.017 0.000 0.950 364 E HN 0.574 nan 8.360 nan 0.000 0.444 365 T N 2.628 117.122 114.554 -0.100 0.000 2.871 365 T HA -0.025 4.340 4.350 0.025 0.000 0.296 365 T C -0.045 174.638 174.700 -0.028 0.000 0.998 365 T CA 0.327 62.363 62.100 -0.106 0.000 1.162 365 T CB -0.153 68.695 68.868 -0.033 0.000 0.947 365 T HN 0.298 nan 8.240 nan 0.000 0.536 366 H N 1.213 120.313 119.070 0.051 0.000 2.615 366 H HA 0.462 5.033 4.556 0.025 0.000 0.363 366 H C 0.818 176.178 175.328 0.053 0.000 1.148 366 H CA -0.562 55.520 56.048 0.058 0.000 1.401 366 H CB 0.687 30.494 29.762 0.074 0.000 1.461 366 H HN 0.710 nan 8.280 nan 0.000 0.588 367 S N 0.947 116.762 115.700 0.192 0.000 2.638 367 S HA 0.740 5.225 4.470 0.025 0.000 0.274 367 S C 0.051 174.714 174.600 0.105 0.000 1.157 367 S CA -0.402 57.872 58.200 0.123 0.000 0.826 367 S CB 2.040 65.295 63.200 0.092 0.000 1.139 367 S HN 1.227 nan 8.310 nan 0.000 0.474 368 G N 0.856 109.709 108.800 0.089 0.000 2.760 368 G HA2 0.055 4.030 3.960 0.025 0.000 0.246 368 G HA3 0.055 4.030 3.960 0.025 0.000 0.246 368 G C -3.106 171.833 174.900 0.065 0.000 1.359 368 G CA -0.427 44.724 45.100 0.085 0.000 0.861 368 G HN 0.862 nan 8.290 nan 0.000 0.541 369 P HA 0.478 nan 4.420 nan 0.000 0.274 369 P C -0.232 176.994 177.300 -0.123 0.000 1.246 369 P CA 0.062 63.138 63.100 -0.040 0.000 0.795 369 P CB 0.770 32.422 31.700 -0.079 0.000 1.006 370 T N 1.247 115.690 114.554 -0.185 0.000 2.807 370 T HA 0.537 4.902 4.350 0.025 0.000 0.279 370 T C -0.568 173.972 174.700 -0.266 0.000 0.993 370 T CA -0.072 61.956 62.100 -0.120 0.000 0.970 370 T CB 0.258 69.118 68.868 -0.013 0.000 0.950 370 T HN 0.106 nan 8.240 nan 0.000 0.441 371 F N 2.613 122.574 119.950 0.018 0.000 2.444 371 F HA 0.586 5.128 4.527 0.025 0.000 0.342 371 F C 0.245 176.085 175.800 0.067 0.000 1.121 371 F CA -1.068 56.953 58.000 0.035 0.000 0.997 371 F CB 1.046 40.030 39.000 -0.027 0.000 1.130 371 F HN 0.294 nan 8.300 nan 0.000 0.454 372 I N 5.308 126.032 120.570 0.256 0.000 2.382 372 I HA 0.329 4.514 4.170 0.025 0.000 0.286 372 I C -0.862 175.413 176.117 0.263 0.000 1.002 372 I CA -0.672 60.753 61.300 0.208 0.000 1.135 372 I CB 1.368 39.457 38.000 0.149 0.000 1.288 372 I HN 0.344 nan 8.210 nan 0.000 0.448 373 I N 5.668 126.371 120.570 0.222 0.000 2.307 373 I HA 0.337 4.522 4.170 0.025 0.000 0.289 373 I C 1.013 177.236 176.117 0.176 0.000 1.021 373 I CA -0.059 61.377 61.300 0.226 0.000 1.224 373 I CB 0.710 38.832 38.000 0.202 0.000 1.376 373 I HN 0.593 nan 8.210 nan 0.000 0.470 374 G N 4.904 113.812 108.800 0.181 0.000 2.570 374 G HA2 0.413 4.388 3.960 0.025 0.000 0.276 374 G HA3 0.413 4.388 3.960 0.025 0.000 0.276 374 G C 0.093 175.067 174.900 0.123 0.000 1.346 374 G CA -0.154 45.021 45.100 0.126 0.000 1.034 374 G HN 0.674 nan 8.290 nan 0.000 0.512 375 S N -2.116 113.643 115.700 0.098 0.000 2.726 375 S HA 0.378 4.863 4.470 0.025 0.000 0.308 375 S C 0.062 174.710 174.600 0.080 0.000 1.115 375 S CA -0.593 57.670 58.200 0.105 0.000 0.965 375 S CB 2.101 65.372 63.200 0.117 0.000 1.145 375 S HN 0.339 nan 8.310 nan 0.000 0.532 376 D N 0.769 121.212 120.400 0.072 0.000 2.363 376 D HA 0.215 4.870 4.640 0.025 0.000 0.226 376 D C 0.985 177.309 176.300 0.039 0.000 1.020 376 D CA 0.447 54.479 54.000 0.054 0.000 0.892 376 D CB -0.422 40.406 40.800 0.046 0.000 0.900 376 D HN 0.630 nan 8.370 nan 0.000 0.531 377 G N -0.010 108.812 108.800 0.037 0.000 2.532 377 G HA2 0.160 4.135 3.960 0.025 0.000 0.291 377 G HA3 0.160 4.135 3.960 0.025 0.000 0.291 377 G C 0.091 174.993 174.900 0.004 0.000 1.349 377 G CA -0.575 44.537 45.100 0.021 0.000 1.038 377 G HN -0.060 nan 8.290 nan 0.000 0.518 378 N N 1.544 120.234 118.700 -0.016 0.000 2.405 378 N HA 0.216 4.971 4.740 0.025 0.000 0.260 378 N C -0.760 174.691 175.510 -0.098 0.000 1.152 378 N CA 0.080 53.100 53.050 -0.050 0.000 0.948 378 N CB 0.924 39.381 38.487 -0.051 0.000 1.111 378 N HN 0.315 nan 8.380 nan 0.000 0.485 379 D N 1.424 121.737 120.400 -0.143 0.000 2.228 379 D HA 0.386 5.042 4.640 0.025 0.000 0.247 379 D C 0.122 176.202 176.300 -0.368 0.000 0.995 379 D CA -0.372 53.503 54.000 -0.209 0.000 0.903 379 D CB 1.959 42.660 40.800 -0.165 0.000 1.205 379 D HN 0.207 nan 8.370 nan 0.000 0.459 380 L N 1.981 122.923 121.223 -0.469 0.000 2.294 380 L HA 0.501 4.856 4.340 0.025 0.000 0.283 380 L C -0.279 176.376 176.870 -0.358 0.000 1.015 380 L CA -0.494 53.858 54.840 -0.812 0.000 0.831 380 L CB 0.983 42.093 42.059 -1.581 0.000 1.217 380 L HN 0.137 nan 8.230 nan 0.000 0.420 381 I N 3.780 124.309 120.570 -0.069 0.000 2.436 381 I HA 0.386 4.571 4.170 0.025 0.000 0.289 381 I C -0.374 175.956 176.117 0.355 0.000 1.010 381 I CA -0.538 60.822 61.300 0.101 0.000 1.098 381 I CB 2.322 40.299 38.000 -0.039 0.000 1.266 381 I HN 0.516 nan 8.210 nan 0.000 0.434 382 K N 4.867 125.432 120.400 0.274 0.000 2.502 382 K HA 0.609 4.944 4.320 0.025 0.000 0.254 382 K C -0.309 176.344 176.600 0.088 0.000 0.947 382 K CA -0.442 55.925 56.287 0.133 0.000 0.834 382 K CB 1.806 34.296 32.500 -0.017 0.000 1.112 382 K HN 0.772 nan 8.250 nan 0.000 0.427 383 G N 1.832 110.685 108.800 0.087 0.000 2.476 383 G HA2 0.466 4.441 3.960 0.025 0.000 0.286 383 G HA3 0.466 4.441 3.960 0.025 0.000 0.286 383 G C 0.039 174.957 174.900 0.029 0.000 1.177 383 G CA -0.570 44.568 45.100 0.062 0.000 0.870 383 G HN 0.690 nan 8.290 nan 0.000 0.528 384 G N -0.721 108.096 108.800 0.030 0.000 2.510 384 G HA2 0.324 4.299 3.960 0.025 0.000 0.280 384 G HA3 0.324 4.299 3.960 0.025 0.000 0.280 384 G C 0.788 175.695 174.900 0.012 0.000 1.386 384 G CA -0.593 44.522 45.100 0.025 0.000 1.047 384 G HN 0.518 nan 8.290 nan 0.000 0.527 385 K N -0.398 120.012 120.400 0.016 0.000 2.432 385 K HA 0.066 4.401 4.320 0.025 0.000 0.196 385 K C 1.538 178.148 176.600 0.017 0.000 1.038 385 K CA 0.439 56.731 56.287 0.010 0.000 0.986 385 K CB 0.163 32.671 32.500 0.014 0.000 0.782 385 K HN 0.388 nan 8.250 nan 0.000 0.485 386 G N 1.009 109.826 108.800 0.027 0.000 2.574 386 G HA2 0.087 4.062 3.960 0.025 0.000 0.248 386 G HA3 0.087 4.062 3.960 0.025 0.000 0.248 386 G C -0.413 174.498 174.900 0.019 0.000 1.422 386 G CA -0.640 44.485 45.100 0.041 0.000 1.051 386 G HN 0.065 nan 8.290 nan 0.000 0.560 387 N N 1.398 120.111 118.700 0.022 0.000 2.434 387 N HA 0.322 5.077 4.740 0.025 0.000 0.272 387 N C -1.112 174.319 175.510 -0.132 0.000 1.040 387 N CA 0.000 53.027 53.050 -0.038 0.000 0.956 387 N CB 1.630 40.132 38.487 0.025 0.000 1.108 387 N HN 0.369 nan 8.380 nan 0.000 0.481 388 D N 1.280 121.516 120.400 -0.272 0.000 2.575 388 D HA 0.277 4.932 4.640 0.025 0.000 0.236 388 D C -0.758 175.173 176.300 -0.615 0.000 1.075 388 D CA -0.223 53.607 54.000 -0.284 0.000 0.860 388 D CB 1.755 42.478 40.800 -0.129 0.000 1.475 388 D HN 0.363 nan 8.370 nan 0.000 0.474 389 Y N 1.240 121.229 120.300 -0.518 0.000 2.376 389 Y HA 0.363 4.928 4.550 0.025 0.000 0.326 389 Y C -0.122 175.599 175.900 -0.298 0.000 0.970 389 Y CA -0.735 56.916 58.100 -0.750 0.000 1.248 389 Y CB 1.253 38.925 38.460 -1.314 0.000 1.117 389 Y HN 0.041 nan 8.280 nan 0.000 0.476 390 L N 3.609 124.864 121.223 0.054 0.000 2.313 390 L HA 0.525 4.880 4.340 0.025 0.000 0.283 390 L C -0.316 176.862 176.870 0.514 0.000 1.013 390 L CA -0.621 54.409 54.840 0.316 0.000 0.816 390 L CB 1.961 44.206 42.059 0.310 0.000 1.236 390 L HN 0.577 nan 8.230 nan 0.000 0.419 391 E N 1.600 122.141 120.200 0.568 0.000 2.182 391 E HA 0.315 4.680 4.350 0.025 0.000 0.258 391 E C 0.619 177.478 176.600 0.432 0.000 0.879 391 E CA -0.328 56.355 56.400 0.470 0.000 0.754 391 E CB 1.812 31.745 29.700 0.388 0.000 1.162 391 E HN 0.755 nan 8.360 nan 0.000 0.419 392 G N 3.968 113.071 108.800 0.506 0.000 2.421 392 G HA2 -0.105 3.870 3.960 0.025 0.000 0.217 392 G HA3 -0.105 3.870 3.960 0.025 0.000 0.217 392 G C 0.488 175.511 174.900 0.205 0.000 1.143 392 G CA 0.392 45.735 45.100 0.405 0.000 0.784 392 G HN 0.716 nan 8.290 nan 0.000 0.541 393 R N -0.538 120.064 120.500 0.170 0.000 3.797 393 R HA -0.153 4.202 4.340 0.025 0.000 0.502 393 R C -0.629 175.729 176.300 0.096 0.000 0.241 393 R CA 0.797 56.963 56.100 0.109 0.000 1.568 393 R CB -1.372 28.988 30.300 0.099 0.000 1.016 393 R HN 0.298 nan 8.270 nan 0.000 0.558 394 D N 0.306 120.749 120.400 0.072 0.000 2.354 394 D HA 0.407 5.062 4.640 0.025 0.000 0.238 394 D C 0.872 177.207 176.300 0.058 0.000 1.250 394 D CA 1.680 55.716 54.000 0.060 0.000 0.911 394 D CB 0.045 40.873 40.800 0.046 0.000 1.163 394 D HN 0.812 nan 8.370 nan 0.000 0.456 395 G N 0.214 109.044 108.800 0.051 0.000 2.730 395 G HA2 -0.135 3.840 3.960 0.025 0.000 0.686 395 G HA3 -0.135 3.840 3.960 0.025 0.000 0.686 395 G C -1.216 173.716 174.900 0.053 0.000 1.343 395 G CA -0.797 44.328 45.100 0.040 0.000 0.826 395 G HN 0.454 nan 8.290 nan 0.000 0.582 396 D N 1.779 122.206 120.400 0.044 0.000 2.365 396 D HA 0.423 5.078 4.640 0.025 0.000 0.237 396 D C -0.003 176.303 176.300 0.010 0.000 1.190 396 D CA 0.203 54.244 54.000 0.067 0.000 0.867 396 D CB 0.821 41.664 40.800 0.072 0.000 1.050 396 D HN 0.353 nan 8.370 nan 0.000 0.491 397 D N 1.645 122.049 120.400 0.005 0.000 2.198 397 D HA 0.448 5.103 4.640 0.025 0.000 0.247 397 D C 0.421 176.599 176.300 -0.204 0.000 1.010 397 D CA -0.435 53.463 54.000 -0.170 0.000 0.880 397 D CB 2.159 42.819 40.800 -0.233 0.000 1.209 397 D HN 0.228 nan 8.370 nan 0.000 0.451 398 I N 1.350 121.701 120.570 -0.366 0.000 2.436 398 I HA 0.339 4.524 4.170 0.025 0.000 0.289 398 I C -0.709 175.219 176.117 -0.315 0.000 1.010 398 I CA -0.766 60.424 61.300 -0.183 0.000 1.098 398 I CB 1.055 39.038 38.000 -0.028 0.000 1.266 398 I HN 0.072 nan 8.210 nan 0.000 0.434 399 F N 4.687 124.717 119.950 0.132 0.000 2.480 399 F HA 0.653 5.195 4.527 0.025 0.000 0.329 399 F C 0.382 176.009 175.800 -0.290 0.000 1.091 399 F CA -0.655 57.394 58.000 0.081 0.000 0.972 399 F CB 1.486 40.587 39.000 0.170 0.000 1.150 399 F HN 0.272 nan 8.300 nan 0.000 0.467 400 R N 0.934 121.390 120.500 -0.073 0.000 2.854 400 R HA 0.487 4.842 4.340 0.025 0.000 0.271 400 R C -1.721 174.505 176.300 -0.123 0.000 0.994 400 R CA -1.013 54.851 56.100 -0.393 0.000 0.945 400 R CB 2.391 32.359 30.300 -0.553 0.000 1.194 400 R HN 0.687 nan 8.270 nan 0.000 0.476 401 D N 0.131 120.496 120.400 -0.057 0.000 2.886 401 D HA 0.206 4.861 4.640 0.025 0.000 0.216 401 D C -0.629 175.696 176.300 0.041 0.000 1.256 401 D CA -0.293 53.753 54.000 0.076 0.000 0.844 401 D CB 2.286 43.214 40.800 0.213 0.000 1.669 401 D HN 0.596 nan 8.370 nan 0.000 0.513 402 A N 1.861 124.682 122.820 0.001 0.000 2.218 402 A HA 0.582 4.917 4.320 0.025 0.000 0.209 402 A C 0.977 178.555 177.584 -0.010 0.000 1.168 402 A CA 1.231 53.259 52.037 -0.016 0.000 0.804 402 A CB 0.087 19.071 19.000 -0.026 0.000 0.834 402 A HN 0.785 nan 8.150 nan 0.000 0.482 403 G N -3.570 105.222 108.800 -0.013 0.000 2.345 403 G HA2 0.530 4.505 3.960 0.025 0.000 0.285 403 G HA3 0.530 4.505 3.960 0.025 0.000 0.285 403 G C 0.421 175.269 174.900 -0.086 0.000 1.297 403 G CA 0.269 45.340 45.100 -0.049 0.000 0.875 403 G HN 1.956 nan 8.290 nan 0.000 0.506 404 G N -1.354 107.358 108.800 -0.148 0.000 2.562 404 G HA2 0.145 4.120 3.960 0.025 0.000 0.250 404 G HA3 0.145 4.120 3.960 0.025 0.000 0.250 404 G C -0.555 174.122 174.900 -0.372 0.000 1.269 404 G CA 0.399 45.404 45.100 -0.158 0.000 0.919 404 G HN 1.637 nan 8.290 nan 0.000 0.574 405 Y N 1.900 122.159 120.300 -0.068 0.000 2.331 405 Y HA 0.624 5.189 4.550 0.025 0.000 0.334 405 Y C 0.554 176.326 175.900 -0.214 0.000 0.960 405 Y CA -0.819 57.222 58.100 -0.098 0.000 1.130 405 Y CB 1.995 40.423 38.460 -0.054 0.000 1.164 405 Y HN 0.606 nan 8.280 nan 0.000 0.458 406 N N 3.888 122.493 118.700 -0.158 0.000 2.284 406 N HA 0.573 5.328 4.740 0.025 0.000 0.289 406 N C -1.696 173.590 175.510 -0.373 0.000 1.179 406 N CA -0.759 52.085 53.050 -0.344 0.000 0.774 406 N CB 2.846 41.188 38.487 -0.240 0.000 1.548 406 N HN 0.463 nan 8.380 nan 0.000 0.473 407 L N 1.636 122.533 121.223 -0.543 0.000 2.346 407 L HA 0.645 5.000 4.340 0.025 0.000 0.276 407 L C -0.521 176.246 176.870 -0.173 0.000 1.006 407 L CA -0.720 53.941 54.840 -0.299 0.000 0.817 407 L CB 1.866 43.833 42.059 -0.154 0.000 1.272 407 L HN 0.371 nan 8.230 nan 0.000 0.421 408 I N 2.302 122.818 120.570 -0.090 0.000 2.499 408 I HA 0.475 4.660 4.170 0.025 0.000 0.288 408 I C -0.305 175.761 176.117 -0.085 0.000 1.048 408 I CA -0.538 60.672 61.300 -0.149 0.000 1.062 408 I CB 2.219 39.967 38.000 -0.420 0.000 1.238 408 I HN 0.632 nan 8.210 nan 0.000 0.426 409 A N 4.230 127.065 122.820 0.024 0.000 2.394 409 A HA 0.573 4.908 4.320 0.025 0.000 0.333 409 A C 1.105 178.692 177.584 0.005 0.000 1.397 409 A CA -0.299 51.730 52.037 -0.013 0.000 0.884 409 A CB 0.544 19.505 19.000 -0.066 0.000 1.147 409 A HN 0.973 nan 8.150 nan 0.000 0.505 410 G N 1.682 110.467 108.800 -0.025 0.000 2.450 410 G HA2 0.296 4.271 3.960 0.025 0.000 0.220 410 G HA3 0.296 4.271 3.960 0.025 0.000 0.220 410 G C 1.224 176.242 174.900 0.197 0.000 1.130 410 G CA 0.890 46.096 45.100 0.176 0.000 0.760 410 G HN 2.135 nan 8.290 nan 0.000 0.557 411 G N -0.308 108.549 108.800 0.095 0.000 2.645 411 G HA2 -0.274 3.701 3.960 0.025 0.000 0.246 411 G HA3 -0.274 3.701 3.960 0.025 0.000 0.246 411 G C 0.096 175.038 174.900 0.070 0.000 1.322 411 G CA 0.107 45.251 45.100 0.073 0.000 0.898 411 G HN 0.654 nan 8.290 nan 0.000 0.573 412 K N 0.681 121.118 120.400 0.062 0.000 2.234 412 K HA 0.488 4.823 4.320 0.025 0.000 0.251 412 K C 0.991 177.636 176.600 0.075 0.000 1.011 412 K CA 0.870 57.191 56.287 0.058 0.000 0.889 412 K CB 0.053 32.581 32.500 0.047 0.000 1.011 412 K HN 2.332 nan 8.250 nan 0.000 0.505 413 G N 0.252 109.095 108.800 0.073 0.000 2.660 413 G HA2 -0.251 3.724 3.960 0.025 0.000 0.247 413 G HA3 -0.251 3.724 3.960 0.025 0.000 0.247 413 G C -1.400 173.571 174.900 0.120 0.000 1.328 413 G CA -0.470 44.687 45.100 0.096 0.000 0.884 413 G HN 0.836 nan 8.290 nan 0.000 0.531 414 H N 1.579 120.680 119.070 0.052 0.000 2.690 414 H HA 0.580 5.151 4.556 0.025 0.000 0.289 414 H C 0.154 175.529 175.328 0.079 0.000 1.089 414 H CA -0.571 55.511 56.048 0.057 0.000 1.299 414 H CB 0.034 29.820 29.762 0.038 0.000 1.405 414 H HN 0.470 nan 8.280 nan 0.000 0.463 415 N N 5.595 124.281 118.700 -0.023 0.000 2.405 415 N HA 0.311 5.066 4.740 0.025 0.000 0.299 415 N C -0.721 174.866 175.510 0.127 0.000 1.075 415 N CA -0.495 52.638 53.050 0.138 0.000 0.884 415 N CB 2.301 40.943 38.487 0.259 0.000 1.194 415 N HN 0.498 nan 8.380 nan 0.000 0.491 416 I N 1.162 121.875 120.570 0.238 0.000 2.474 416 I HA 0.352 4.537 4.170 0.025 0.000 0.294 416 I C -0.800 175.540 176.117 0.370 0.000 1.005 416 I CA -0.886 60.559 61.300 0.241 0.000 1.113 416 I CB 1.657 39.775 38.000 0.197 0.000 1.289 416 I HN 0.343 nan 8.210 nan 0.000 0.436 417 F N 5.413 125.486 119.950 0.206 0.000 2.411 417 F HA 0.380 4.922 4.527 0.025 0.000 0.352 417 F C -0.315 175.580 175.800 0.158 0.000 1.123 417 F CA -0.430 57.695 58.000 0.208 0.000 1.044 417 F CB 0.903 39.962 39.000 0.098 0.000 1.135 417 F HN 0.354 nan 8.300 nan 0.000 0.461 418 D N 3.835 123.947 120.400 -0.480 0.000 2.392 418 D HA 0.137 4.792 4.640 0.025 0.000 0.228 418 D C 0.922 176.993 176.300 -0.380 0.000 1.074 418 D CA -0.178 53.674 54.000 -0.246 0.000 0.838 418 D CB 1.526 42.254 40.800 -0.120 0.000 1.067 418 D HN 0.658 nan 8.370 nan 0.000 0.511 419 T N 0.716 115.254 114.554 -0.027 0.000 3.023 419 T HA -0.072 4.293 4.350 0.025 0.000 0.266 419 T C 0.994 175.692 174.700 -0.004 0.000 1.093 419 T CA 0.555 62.708 62.100 0.088 0.000 1.129 419 T CB -0.225 68.757 68.868 0.190 0.000 0.899 419 T HN 0.615 nan 8.240 nan 0.000 0.491 420 Q N 0.523 120.304 119.800 -0.032 0.000 2.460 420 Q HA -0.211 4.144 4.340 0.025 0.000 0.248 420 Q C -0.018 175.979 176.000 -0.004 0.000 0.847 420 Q CA 1.301 57.078 55.803 -0.043 0.000 1.214 420 Q CB -1.484 27.191 28.738 -0.105 0.000 1.523 420 Q HN 0.991 nan 8.270 nan 0.000 0.602 421 Q N -2.108 117.709 119.800 0.028 0.000 2.737 421 Q HA 0.786 5.141 4.340 0.025 0.000 0.307 421 Q C -1.076 174.956 176.000 0.054 0.000 0.905 421 Q CA -0.461 55.363 55.803 0.036 0.000 0.753 421 Q CB 0.907 29.662 28.738 0.028 0.000 1.463 421 Q HN 0.160 nan 8.270 nan 0.000 0.455 422 A N 0.907 123.758 122.820 0.051 0.000 2.546 422 A HA 0.129 4.465 4.320 0.025 0.000 0.243 422 A C 0.714 178.328 177.584 0.049 0.000 1.063 422 A CA -0.197 51.873 52.037 0.056 0.000 0.757 422 A CB -0.006 19.025 19.000 0.051 0.000 0.991 422 A HN 0.736 nan 8.150 nan 0.000 0.503 423 L N 2.889 124.138 121.223 0.044 0.000 2.127 423 L HA -0.193 4.162 4.340 0.025 0.000 0.211 423 L C 2.519 179.391 176.870 0.004 0.000 1.089 423 L CA 2.694 57.533 54.840 -0.003 0.000 0.757 423 L CB -0.569 41.434 42.059 -0.094 0.000 0.899 423 L HN 0.897 nan 8.230 nan 0.000 0.434 424 K N -1.547 118.865 120.400 0.020 0.000 2.281 424 K HA -0.165 4.170 4.320 0.025 0.000 0.203 424 K C 1.283 177.903 176.600 0.032 0.000 1.046 424 K CA 1.715 58.018 56.287 0.026 0.000 0.938 424 K CB -0.565 31.954 32.500 0.032 0.000 0.737 424 K HN 0.306 nan 8.250 nan 0.000 0.458 425 N N 0.396 119.116 118.700 0.034 0.000 2.461 425 N HA 0.005 4.760 4.740 0.025 0.000 0.188 425 N C -0.620 174.913 175.510 0.038 0.000 1.134 425 N CA 0.557 53.628 53.050 0.034 0.000 0.878 425 N CB 0.650 39.157 38.487 0.032 0.000 0.972 425 N HN 0.188 nan 8.380 nan 0.000 0.456 426 T N 0.601 115.180 114.554 0.042 0.000 2.881 426 T HA 0.267 4.632 4.350 0.025 0.000 0.290 426 T C -0.392 174.348 174.700 0.067 0.000 1.000 426 T CA -0.697 61.432 62.100 0.049 0.000 0.978 426 T CB 2.154 71.050 68.868 0.045 0.000 0.997 426 T HN -0.022 nan 8.240 nan 0.000 0.443 427 E N 1.800 122.065 120.200 0.109 0.000 2.259 427 E HA 0.462 4.827 4.350 0.025 0.000 0.281 427 E C -0.733 175.959 176.600 0.152 0.000 1.037 427 E CA -0.571 55.937 56.400 0.181 0.000 0.854 427 E CB 1.144 31.028 29.700 0.306 0.000 1.051 427 E HN 0.222 nan 8.360 nan 0.000 0.409 428 V N 2.224 122.200 119.914 0.103 0.000 2.531 428 V HA 0.692 4.827 4.120 0.025 0.000 0.301 428 V C -0.183 175.872 176.094 -0.065 0.000 1.034 428 V CA -0.557 61.742 62.300 -0.001 0.000 0.865 428 V CB 1.390 33.229 31.823 0.027 0.000 0.995 428 V HN 0.823 nan 8.190 nan 0.000 0.424 429 A N 3.958 126.548 122.820 -0.383 0.000 2.530 429 A HA 0.987 5.322 4.320 0.025 0.000 0.288 429 A C -1.981 175.240 177.584 -0.605 0.000 1.172 429 A CA -0.656 51.051 52.037 -0.549 0.000 0.733 429 A CB 2.150 20.500 19.000 -1.084 0.000 1.320 429 A HN 0.955 nan 8.150 nan 0.000 0.419 430 Y N 0.384 120.061 120.300 -1.037 0.000 2.482 430 Y HA 0.436 5.001 4.550 0.025 0.000 0.334 430 Y C -0.732 174.581 175.900 -0.978 0.000 1.091 430 Y CA -0.981 56.534 58.100 -0.974 0.000 1.027 430 Y CB 1.967 39.647 38.460 -1.300 0.000 1.306 430 Y HN 0.750 nan 8.280 nan 0.000 0.446 431 D N 1.492 121.137 120.400 -1.258 0.000 2.363 431 D HA 0.338 4.993 4.640 0.025 0.000 0.214 431 D C 1.406 177.251 176.300 -0.758 0.000 1.093 431 D CA 0.648 53.978 54.000 -1.115 0.000 0.837 431 D CB 0.572 40.724 40.800 -1.080 0.000 0.948 431 D HN 1.018 nan 8.370 nan 0.000 0.507 432 G N 0.464 108.559 108.800 -1.174 0.000 2.253 432 G HA2 -0.320 3.655 3.960 0.025 0.000 0.209 432 G HA3 -0.320 3.655 3.960 0.025 0.000 0.209 432 G C 0.862 175.267 174.900 -0.825 0.000 0.997 432 G CA 0.274 44.908 45.100 -0.775 0.000 0.640 432 G HN 0.523 nan 8.290 nan 0.000 0.496 433 N N -1.093 117.028 118.700 -0.965 0.000 2.268 433 N HA 0.173 4.928 4.740 0.025 0.000 0.256 433 N C 0.197 175.488 175.510 -0.365 0.000 1.090 433 N CA 1.358 54.139 53.050 -0.448 0.000 0.806 433 N CB 0.756 39.089 38.487 -0.257 0.000 1.644 433 N HN 0.187 nan 8.380 nan 0.000 0.544 434 T N 1.305 115.550 114.554 -0.516 0.000 2.797 434 T HA 0.458 4.823 4.350 0.025 0.000 0.279 434 T C -1.135 173.348 174.700 -0.361 0.000 0.991 434 T CA -0.437 61.429 62.100 -0.389 0.000 0.979 434 T CB 1.672 70.265 68.868 -0.459 0.000 0.943 434 T HN 0.135 nan 8.240 nan 0.000 0.444 435 L N 4.299 125.392 121.223 -0.217 0.000 2.292 435 L HA 0.479 4.834 4.340 0.025 0.000 0.284 435 L C -1.412 175.188 176.870 -0.449 0.000 1.065 435 L CA -0.351 54.390 54.840 -0.165 0.000 0.806 435 L CB 0.131 42.110 42.059 -0.133 0.000 1.175 435 L HN 0.606 nan 8.230 nan 0.000 0.431 436 Y N 5.661 125.721 120.300 -0.401 0.000 2.335 436 Y HA 0.610 5.175 4.550 0.025 0.000 0.338 436 Y C -0.608 175.075 175.900 -0.363 0.000 0.977 436 Y CA -0.695 57.159 58.100 -0.409 0.000 1.114 436 Y CB 1.344 39.407 38.460 -0.662 0.000 1.182 436 Y HN 0.362 nan 8.280 nan 0.000 0.463 437 L N 4.637 125.785 121.223 -0.126 0.000 2.376 437 L HA 0.621 4.976 4.340 0.025 0.000 0.275 437 L C -0.512 176.375 176.870 0.027 0.000 0.987 437 L CA -0.767 54.019 54.840 -0.091 0.000 0.828 437 L CB 2.114 44.016 42.059 -0.261 0.000 1.249 437 L HN 0.537 nan 8.230 nan 0.000 0.409 438 R N 1.952 122.534 120.500 0.137 0.000 2.393 438 R HA 0.365 4.720 4.340 0.025 0.000 0.315 438 R C -0.885 175.445 176.300 0.049 0.000 0.952 438 R CA -0.605 55.568 56.100 0.121 0.000 0.842 438 R CB 1.363 31.803 30.300 0.232 0.000 1.163 438 R HN 0.739 nan 8.270 nan 0.000 0.450 439 D N 3.346 123.736 120.400 -0.016 0.000 2.433 439 D HA 0.138 4.793 4.640 0.025 0.000 0.255 439 D C 0.815 177.109 176.300 -0.011 0.000 1.226 439 D CA -0.288 53.704 54.000 -0.014 0.000 1.015 439 D CB 0.685 41.463 40.800 -0.036 0.000 1.091 439 D HN 0.435 nan 8.370 nan 0.000 0.527 440 A N -0.531 122.287 122.820 -0.004 0.000 2.121 440 A HA -0.128 4.207 4.320 0.025 0.000 0.218 440 A C 1.627 179.206 177.584 -0.008 0.000 1.154 440 A CA 1.020 53.056 52.037 -0.000 0.000 0.679 440 A CB -0.587 18.416 19.000 0.005 0.000 0.795 440 A HN 0.535 nan 8.150 nan 0.000 0.458 441 K N -1.617 118.770 120.400 -0.022 0.000 2.372 441 K HA 0.294 4.629 4.320 0.025 0.000 0.200 441 K C 1.007 177.594 176.600 -0.022 0.000 1.022 441 K CA 0.417 56.693 56.287 -0.018 0.000 1.125 441 K CB 0.224 32.712 32.500 -0.020 0.000 0.855 441 K HN 0.547 nan 8.250 nan 0.000 0.524 442 G N 1.086 109.863 108.800 -0.038 0.000 2.176 442 G HA2 -0.253 3.722 3.960 0.025 0.000 0.253 442 G HA3 -0.253 3.722 3.960 0.025 0.000 0.253 442 G C 0.446 175.259 174.900 -0.144 0.000 0.979 442 G CA -0.194 44.889 45.100 -0.029 0.000 0.641 442 G HN 0.471 nan 8.290 nan 0.000 0.530 443 G N -0.065 108.531 108.800 -0.341 0.000 2.380 443 G HA2 0.468 4.443 3.960 0.025 0.000 0.242 443 G HA3 0.468 4.443 3.960 0.025 0.000 0.242 443 G C -0.006 174.610 174.900 -0.474 0.000 1.298 443 G CA 0.099 44.711 45.100 -0.813 0.000 0.878 443 G HN 0.735 nan 8.290 nan 0.000 0.542 444 I N 1.170 121.437 120.570 -0.505 0.000 2.465 444 I HA 0.288 4.473 4.170 0.025 0.000 0.291 444 I C -0.081 175.980 176.117 -0.093 0.000 1.014 444 I CA -0.535 60.716 61.300 -0.081 0.000 1.093 444 I CB 2.513 40.617 38.000 0.174 0.000 1.267 444 I HN 0.296 nan 8.210 nan 0.000 0.431 445 T N 6.781 121.258 114.554 -0.129 0.000 2.779 445 T HA 0.551 4.916 4.350 0.025 0.000 0.280 445 T C -0.495 174.035 174.700 -0.282 0.000 0.987 445 T CA -0.473 61.491 62.100 -0.227 0.000 0.966 445 T CB 1.232 69.887 68.868 -0.355 0.000 0.933 445 T HN 0.093 nan 8.240 nan 0.000 0.442 446 L N 3.106 124.146 121.223 -0.305 0.000 2.272 446 L HA 0.725 5.080 4.340 0.025 0.000 0.289 446 L C 0.100 176.744 176.870 -0.377 0.000 1.032 446 L CA -0.394 54.174 54.840 -0.454 0.000 0.810 446 L CB 1.110 42.931 42.059 -0.397 0.000 1.205 446 L HN 0.820 nan 8.230 nan 0.000 0.422 447 A N 2.617 125.190 122.820 -0.413 0.000 2.357 447 A HA 0.680 5.015 4.320 0.025 0.000 0.295 447 A C -0.972 176.473 177.584 -0.231 0.000 1.121 447 A CA -0.691 51.158 52.037 -0.312 0.000 0.742 447 A CB 0.479 19.268 19.000 -0.353 0.000 1.181 447 A HN 0.557 nan 8.150 nan 0.000 0.454 448 D N 1.355 121.654 120.400 -0.168 0.000 2.253 448 D HA 0.386 5.041 4.640 0.025 0.000 0.249 448 D C -0.203 176.061 176.300 -0.059 0.000 1.049 448 D CA 0.423 54.359 54.000 -0.107 0.000 0.929 448 D CB 0.886 41.635 40.800 -0.086 0.000 1.176 448 D HN 0.568 nan 8.370 nan 0.000 0.437 449 D N 0.466 120.856 120.400 -0.018 0.000 2.772 449 D HA -0.157 4.498 4.640 0.025 0.000 0.233 449 D C -0.352 175.954 176.300 0.010 0.000 1.143 449 D CA 0.545 54.549 54.000 0.007 0.000 0.700 449 D CB -0.555 40.255 40.800 0.017 0.000 1.076 449 D HN 0.242 nan 8.370 nan 0.000 0.430 450 I N 0.845 121.415 120.570 -0.001 0.000 2.304 450 I HA 0.067 4.252 4.170 0.025 0.000 0.291 450 I C 1.637 177.712 176.117 -0.070 0.000 1.018 450 I CA -0.004 61.294 61.300 -0.003 0.000 1.260 450 I CB 1.423 39.430 38.000 0.012 0.000 1.390 450 I HN -0.229 nan 8.210 nan 0.000 0.475 451 S N 3.673 119.276 115.700 -0.162 0.000 2.470 451 S HA 0.068 4.553 4.470 0.025 0.000 0.222 451 S C 0.736 175.251 174.600 -0.142 0.000 1.024 451 S CA 0.434 58.495 58.200 -0.232 0.000 0.931 451 S CB 0.333 63.224 63.200 -0.516 0.000 0.791 451 S HN 0.729 nan 8.310 nan 0.000 0.513 452 T N 2.290 116.801 114.554 -0.072 0.000 2.881 452 T HA 0.515 4.880 4.350 0.025 0.000 0.290 452 T C -1.360 173.419 174.700 0.133 0.000 1.000 452 T CA -0.486 61.654 62.100 0.068 0.000 0.978 452 T CB 2.105 71.077 68.868 0.173 0.000 0.997 452 T HN 0.011 nan 8.240 nan 0.000 0.443 453 L N 3.678 124.999 121.223 0.164 0.000 2.265 453 L HA 0.605 4.960 4.340 0.025 0.000 0.289 453 L C 0.087 177.139 176.870 0.305 0.000 1.033 453 L CA -0.456 54.518 54.840 0.223 0.000 0.814 453 L CB 0.661 42.809 42.059 0.149 0.000 1.203 453 L HN 0.566 nan 8.230 nan 0.000 0.423 454 R N 3.383 124.038 120.500 0.258 0.000 2.346 454 R HA 0.722 5.077 4.340 0.025 0.000 0.311 454 R C -0.665 175.757 176.300 0.204 0.000 0.983 454 R CA -0.160 56.071 56.100 0.217 0.000 0.880 454 R CB 1.051 31.430 30.300 0.133 0.000 1.100 454 R HN 0.868 nan 8.270 nan 0.000 0.453 455 S N 2.780 118.616 115.700 0.227 0.000 2.715 455 S HA 0.481 4.966 4.470 0.025 0.000 0.307 455 S C -0.948 173.720 174.600 0.114 0.000 1.119 455 S CA -0.977 57.325 58.200 0.170 0.000 0.937 455 S CB 1.875 65.199 63.200 0.207 0.000 1.150 455 S HN 0.618 nan 8.310 nan 0.000 0.521 456 K N 0.688 121.137 120.400 0.081 0.000 2.413 456 K HA 0.426 4.761 4.320 0.025 0.000 0.257 456 K C -1.047 175.589 176.600 0.060 0.000 0.946 456 K CA -0.371 55.951 56.287 0.058 0.000 0.823 456 K CB 0.931 33.454 32.500 0.038 0.000 1.109 456 K HN 0.689 nan 8.250 nan 0.000 0.427 457 E N 1.807 122.038 120.200 0.053 0.000 2.299 457 E HA 0.492 4.857 4.350 0.025 0.000 0.260 457 E C -0.682 175.941 176.600 0.037 0.000 0.944 457 E CA -0.851 55.580 56.400 0.051 0.000 0.815 457 E CB 2.196 31.926 29.700 0.051 0.000 1.252 457 E HN 0.625 nan 8.360 nan 0.000 0.418 458 T N 0.065 114.645 114.554 0.043 0.000 2.868 458 T HA 0.528 4.893 4.350 0.025 0.000 0.306 458 T C -0.520 174.194 174.700 0.023 0.000 1.224 458 T CA -0.796 61.333 62.100 0.047 0.000 1.012 458 T CB 1.623 70.572 68.868 0.134 0.000 1.221 458 T HN 0.570 nan 8.240 nan 0.000 0.499 459 S N 0.321 115.993 115.700 -0.046 0.000 2.806 459 S HA 0.534 5.019 4.470 0.025 0.000 0.306 459 S C 0.478 175.073 174.600 -0.008 0.000 1.167 459 S CA -1.056 57.094 58.200 -0.084 0.000 0.847 459 S CB 0.828 63.818 63.200 -0.350 0.000 1.216 459 S HN 0.985 nan 8.310 nan 0.000 0.532 460 W N 0.051 121.395 121.300 0.072 0.000 2.825 460 W HA 0.202 4.877 4.660 0.025 0.000 0.243 460 W C 0.714 177.272 176.519 0.065 0.000 1.293 460 W CA 0.120 57.549 57.345 0.141 0.000 1.403 460 W CB -0.743 28.767 29.460 0.083 0.000 1.134 460 W HN 0.534 nan 8.180 nan 0.000 0.666 461 L N 0.595 121.320 121.223 -0.829 0.000 2.600 461 L HA 0.413 4.768 4.340 0.025 0.000 0.213 461 L C 0.353 176.581 176.870 -1.071 0.000 1.045 461 L CA 0.814 55.059 54.840 -0.991 0.000 0.863 461 L CB 0.029 41.193 42.059 -1.491 0.000 1.189 461 L HN -0.284 nan 8.230 nan 0.000 0.484 462 I N 0.258 120.220 120.570 -1.014 0.000 2.466 462 I HA 0.229 4.414 4.170 0.025 0.000 0.289 462 I C -0.435 175.259 176.117 -0.705 0.000 1.026 462 I CA -0.241 60.541 61.300 -0.862 0.000 1.078 462 I CB 1.592 39.314 38.000 -0.463 0.000 1.249 462 I HN 0.002 nan 8.210 nan 0.000 0.429 463 F N 3.134 123.041 119.950 -0.073 0.000 2.704 463 F HA 0.277 4.819 4.527 0.025 0.000 0.304 463 F C 1.176 176.959 175.800 -0.028 0.000 1.094 463 F CA 0.016 57.991 58.000 -0.041 0.000 1.275 463 F CB 0.034 39.020 39.000 -0.023 0.000 1.073 463 F HN 0.423 nan 8.300 nan 0.000 0.586 464 N N 0.665 119.409 118.700 0.073 0.000 2.466 464 N HA 0.019 4.774 4.740 0.025 0.000 0.272 464 N C -0.316 175.201 175.510 0.013 0.000 1.455 464 N CA -0.056 53.026 53.050 0.055 0.000 0.875 464 N CB 0.657 39.183 38.487 0.065 0.000 1.372 464 N HN 0.163 nan 8.380 nan 0.000 0.492 465 K N 1.689 122.080 120.400 -0.016 0.000 2.436 465 K HA 0.027 4.362 4.320 0.025 0.000 0.282 465 K C -0.138 176.461 176.600 -0.002 0.000 1.044 465 K CA 0.378 56.650 56.287 -0.027 0.000 1.028 465 K CB 0.604 33.071 32.500 -0.055 0.000 0.919 465 K HN 0.099 nan 8.250 nan 0.000 0.474 466 E N 2.669 122.869 120.200 -0.001 0.000 2.313 466 E HA 0.177 4.542 4.350 0.025 0.000 0.276 466 E C -1.003 175.591 176.600 -0.009 0.000 1.031 466 E CA -0.610 55.797 56.400 0.012 0.000 0.857 466 E CB 1.674 31.386 29.700 0.020 0.000 1.040 466 E HN 0.250 nan 8.360 nan 0.000 0.408 467 V N 3.994 123.906 119.914 -0.004 0.000 2.525 467 V HA 0.169 4.304 4.120 0.025 0.000 0.299 467 V C -0.692 175.289 176.094 -0.187 0.000 1.034 467 V CA -0.943 61.297 62.300 -0.100 0.000 0.863 467 V CB 1.973 33.745 31.823 -0.085 0.000 0.999 467 V HN 0.618 nan 8.190 nan 0.000 0.423 468 D N 2.804 123.060 120.400 -0.239 0.000 2.175 468 D HA 0.473 5.128 4.640 0.025 0.000 0.248 468 D C -0.437 175.627 176.300 -0.394 0.000 1.047 468 D CA -0.177 53.716 54.000 -0.179 0.000 0.883 468 D CB 1.044 41.823 40.800 -0.035 0.000 1.180 468 D HN 0.549 nan 8.370 nan 0.000 0.438 469 H N 0.987 120.081 119.070 0.039 0.000 2.800 469 H HA 0.158 4.729 4.556 0.025 0.000 0.322 469 H C -0.239 175.097 175.328 0.013 0.000 0.979 469 H CA -0.491 55.568 56.048 0.019 0.000 1.277 469 H CB 1.652 31.424 29.762 0.016 0.000 1.484 469 H HN 0.357 nan 8.280 nan 0.000 0.512 470 Q N 2.948 122.797 119.800 0.082 0.000 2.311 470 Q HA 0.148 4.503 4.340 0.025 0.000 0.272 470 Q C -0.650 175.354 176.000 0.006 0.000 1.012 470 Q CA -0.409 55.421 55.803 0.045 0.000 0.891 470 Q CB 0.748 29.506 28.738 0.034 0.000 1.201 470 Q HN 0.391 nan 8.270 nan 0.000 0.391 471 V N 5.580 125.462 119.914 -0.052 0.000 2.387 471 V HA 0.195 4.330 4.120 0.025 0.000 0.260 471 V C 0.504 176.484 176.094 -0.189 0.000 1.054 471 V CA 0.051 62.246 62.300 -0.174 0.000 0.967 471 V CB 0.257 31.893 31.823 -0.311 0.000 1.036 471 V HN 0.950 nan 8.190 nan 0.000 0.481 472 T N 2.013 116.499 114.554 -0.113 0.000 2.926 472 T HA 0.690 5.055 4.350 0.025 0.000 0.289 472 T C 1.118 175.890 174.700 0.120 0.000 1.054 472 T CA -0.068 62.023 62.100 -0.015 0.000 1.015 472 T CB 2.109 70.980 68.868 0.006 0.000 1.167 472 T HN 0.496 nan 8.240 nan 0.000 0.526 473 A N 0.533 123.480 122.820 0.212 0.000 1.972 473 A HA 0.303 4.638 4.320 0.025 0.000 0.219 473 A C 2.384 180.146 177.584 0.297 0.000 1.169 473 A CA 1.596 53.832 52.037 0.332 0.000 0.635 473 A CB -1.326 17.797 19.000 0.205 0.000 0.810 473 A HN 1.295 nan 8.150 nan 0.000 0.446 474 A N -1.738 121.164 122.820 0.135 0.000 2.208 474 A HA 0.489 4.824 4.320 0.025 0.000 0.209 474 A C 1.221 178.717 177.584 -0.147 0.000 1.161 474 A CA 1.324 53.382 52.037 0.035 0.000 0.782 474 A CB -0.586 18.416 19.000 0.002 0.000 0.816 474 A HN 1.884 nan 8.150 nan 0.000 0.477 475 G N -1.819 106.797 108.800 -0.307 0.000 2.359 475 G HA2 0.216 4.191 3.960 0.025 0.000 0.303 475 G HA3 0.216 4.191 3.960 0.025 0.000 0.303 475 G C -1.011 173.602 174.900 -0.479 0.000 1.293 475 G CA -0.871 43.671 45.100 -0.930 0.000 0.964 475 G HN 0.367 nan 8.290 nan 0.000 0.531 476 L N 0.773 121.743 121.223 -0.420 0.000 2.313 476 L HA 0.461 4.816 4.340 0.025 0.000 0.282 476 L C 0.687 177.529 176.870 -0.046 0.000 1.092 476 L CA -0.250 54.518 54.840 -0.120 0.000 0.831 476 L CB 1.147 43.168 42.059 -0.065 0.000 1.159 476 L HN 0.514 nan 8.230 nan 0.000 0.442 477 K N 2.726 123.127 120.400 0.002 0.000 2.265 477 K HA 0.481 4.816 4.320 0.025 0.000 0.267 477 K C -0.665 175.954 176.600 0.031 0.000 0.994 477 K CA -0.199 56.093 56.287 0.007 0.000 0.860 477 K CB 1.574 34.069 32.500 -0.008 0.000 1.099 477 K HN 0.598 nan 8.250 nan 0.000 0.448 478 S N 2.274 117.989 115.700 0.024 0.000 2.806 478 S HA 0.226 4.711 4.470 0.025 0.000 0.306 478 S C -0.017 174.569 174.600 -0.024 0.000 1.167 478 S CA -0.580 57.608 58.200 -0.020 0.000 0.847 478 S CB 1.045 64.246 63.200 0.003 0.000 1.216 478 S HN 0.673 nan 8.310 nan 0.000 0.532 479 D N 1.445 121.817 120.400 -0.045 0.000 2.218 479 D HA -0.054 4.601 4.640 0.025 0.000 0.204 479 D C 1.970 178.262 176.300 -0.014 0.000 0.976 479 D CA 1.753 55.734 54.000 -0.031 0.000 0.853 479 D CB -0.305 40.471 40.800 -0.040 0.000 0.939 479 D HN 0.466 nan 8.370 nan 0.000 0.481 480 S N -0.966 114.733 115.700 -0.003 0.000 2.481 480 S HA 0.253 4.738 4.470 0.025 0.000 0.231 480 S C 1.182 175.785 174.600 0.005 0.000 0.996 480 S CA 0.784 58.989 58.200 0.008 0.000 0.942 480 S CB 0.169 63.384 63.200 0.026 0.000 0.768 480 S HN 0.395 nan 8.310 nan 0.000 0.520 481 G N 0.320 109.122 108.800 0.003 0.000 2.280 481 G HA2 0.186 4.161 3.960 0.025 0.000 0.277 481 G HA3 0.186 4.161 3.960 0.025 0.000 0.277 481 G C -1.598 173.296 174.900 -0.010 0.000 1.288 481 G CA -0.463 44.633 45.100 -0.006 0.000 1.075 481 G HN 0.836 nan 8.290 nan 0.000 0.480 482 L N 0.993 122.200 121.223 -0.028 0.000 2.277 482 L HA 0.711 5.066 4.340 0.025 0.000 0.284 482 L C 0.434 177.255 176.870 -0.082 0.000 1.028 482 L CA -0.616 54.191 54.840 -0.055 0.000 0.835 482 L CB 0.931 42.956 42.059 -0.057 0.000 1.215 482 L HN 0.636 nan 8.230 nan 0.000 0.425 483 K N 5.213 125.549 120.400 -0.106 0.000 2.268 483 K HA 0.665 5.000 4.320 0.025 0.000 0.276 483 K C -0.287 176.154 176.600 -0.264 0.000 1.080 483 K CA -0.362 55.845 56.287 -0.133 0.000 0.910 483 K CB 0.868 33.313 32.500 -0.091 0.000 1.163 483 K HN 0.770 nan 8.250 nan 0.000 0.465 484 A N 3.898 126.580 122.820 -0.230 0.000 2.327 484 A HA 0.266 4.601 4.320 0.025 0.000 0.255 484 A C -0.914 176.491 177.584 -0.298 0.000 1.099 484 A CA -0.254 51.589 52.037 -0.322 0.000 0.801 484 A CB 0.035 18.952 19.000 -0.138 0.000 1.062 484 A HN 0.700 nan 8.150 nan 0.000 0.496 485 Y N -0.778 119.539 120.300 0.029 0.000 2.320 485 Y HA 0.462 5.027 4.550 0.025 0.000 0.324 485 Y C 0.934 176.874 175.900 0.066 0.000 1.190 485 Y CA -0.258 57.864 58.100 0.037 0.000 1.215 485 Y CB 1.076 39.561 38.460 0.042 0.000 1.221 485 Y HN 0.631 nan 8.280 nan 0.000 0.486 486 A N 2.147 125.120 122.820 0.255 0.000 3.091 486 A HA 0.658 4.993 4.320 0.025 0.000 0.264 486 A C -0.002 177.711 177.584 0.214 0.000 1.673 486 A CA 0.165 52.330 52.037 0.212 0.000 1.362 486 A CB -1.379 17.758 19.000 0.228 0.000 1.137 486 A HN 0.722 nan 8.150 nan 0.000 0.617 487 A N 0.370 123.295 122.820 0.175 0.000 2.515 487 A HA 0.808 5.143 4.320 0.025 0.000 0.298 487 A C -0.182 177.442 177.584 0.067 0.000 1.059 487 A CA 0.005 52.110 52.037 0.113 0.000 0.698 487 A CB 1.148 20.291 19.000 0.238 0.000 1.289 487 A HN 1.627 nan 8.150 nan 0.000 0.404 488 A N 1.183 123.985 122.820 -0.029 0.000 2.274 488 A HA 0.726 5.061 4.320 0.025 0.000 0.309 488 A C -0.092 177.510 177.584 0.030 0.000 1.226 488 A CA -0.238 51.786 52.037 -0.022 0.000 0.853 488 A CB 0.175 19.118 19.000 -0.095 0.000 1.146 488 A HN 0.842 nan 8.150 nan 0.000 0.518 489 T N 2.263 116.864 114.554 0.078 0.000 2.840 489 T HA 0.600 4.965 4.350 0.025 0.000 0.287 489 T C 0.616 175.354 174.700 0.063 0.000 0.991 489 T CA 0.055 62.228 62.100 0.121 0.000 0.964 489 T CB 1.577 70.518 68.868 0.122 0.000 0.954 489 T HN 0.959 nan 8.240 nan 0.000 0.438 490 G N 1.464 110.301 108.800 0.061 0.000 2.525 490 G HA2 0.747 4.722 3.960 0.025 0.000 0.287 490 G HA3 0.747 4.722 3.960 0.025 0.000 0.287 490 G C 0.200 175.115 174.900 0.024 0.000 1.350 490 G CA -0.270 44.853 45.100 0.038 0.000 1.039 490 G HN 0.893 nan 8.290 nan 0.000 0.513 491 G N -1.920 106.892 108.800 0.020 0.000 3.257 491 G HA2 0.414 4.389 3.960 0.025 0.000 0.205 491 G HA3 0.414 4.389 3.960 0.025 0.000 0.205 491 G C 0.112 175.021 174.900 0.015 0.000 1.234 491 G CA -0.010 45.096 45.100 0.009 0.000 0.918 491 G HN 0.319 nan 8.290 nan 0.000 0.602 492 D N 0.204 120.610 120.400 0.011 0.000 2.263 492 D HA 0.040 4.695 4.640 0.025 0.000 0.208 492 D C 1.631 177.945 176.300 0.023 0.000 0.971 492 D CA 1.002 55.011 54.000 0.015 0.000 0.867 492 D CB -0.307 40.500 40.800 0.011 0.000 0.929 492 D HN 0.365 nan 8.370 nan 0.000 0.492 493 G N 0.144 108.958 108.800 0.023 0.000 2.616 493 G HA2 0.121 4.096 3.960 0.025 0.000 0.268 493 G HA3 0.121 4.096 3.960 0.025 0.000 0.268 493 G C -0.361 174.559 174.900 0.033 0.000 1.213 493 G CA -0.520 44.596 45.100 0.025 0.000 0.926 493 G HN -0.127 nan 8.290 nan 0.000 0.523 494 D N 1.219 121.639 120.400 0.033 0.000 2.435 494 D HA 0.183 4.838 4.640 0.025 0.000 0.230 494 D C -0.162 176.160 176.300 0.036 0.000 1.215 494 D CA 0.263 54.287 54.000 0.040 0.000 0.947 494 D CB 0.571 41.395 40.800 0.038 0.000 1.048 494 D HN 0.155 nan 8.370 nan 0.000 0.512 495 D N 0.664 121.087 120.400 0.039 0.000 2.210 495 D HA 0.192 4.847 4.640 0.025 0.000 0.249 495 D C 0.184 176.504 176.300 0.034 0.000 1.062 495 D CA -0.470 53.550 54.000 0.033 0.000 0.891 495 D CB 2.339 43.158 40.800 0.032 0.000 1.186 495 D HN -0.018 nan 8.370 nan 0.000 0.432 496 V N 3.020 122.949 119.914 0.024 0.000 2.333 496 V HA 0.252 4.387 4.120 0.025 0.000 0.274 496 V C 0.202 176.302 176.094 0.010 0.000 1.028 496 V CA -0.597 61.716 62.300 0.021 0.000 0.851 496 V CB 0.826 32.659 31.823 0.016 0.000 1.000 496 V HN 0.283 nan 8.190 nan 0.000 0.456 497 L N 5.214 126.440 121.223 0.005 0.000 2.294 497 L HA 0.544 4.899 4.340 0.025 0.000 0.283 497 L C -0.142 176.701 176.870 -0.045 0.000 1.015 497 L CA -0.260 54.565 54.840 -0.025 0.000 0.831 497 L CB 1.619 43.652 42.059 -0.043 0.000 1.217 497 L HN 0.623 nan 8.230 nan 0.000 0.420 498 Q N 2.436 122.205 119.800 -0.051 0.000 2.278 498 Q HA 0.578 4.933 4.340 0.025 0.000 0.257 498 Q C -0.203 175.719 176.000 -0.131 0.000 0.928 498 Q CA -0.529 55.234 55.803 -0.067 0.000 0.932 498 Q CB 1.871 30.589 28.738 -0.034 0.000 1.221 498 Q HN 0.739 nan 8.270 nan 0.000 0.434 499 A N 4.393 127.078 122.820 -0.225 0.000 2.488 499 A HA 0.281 4.616 4.320 0.025 0.000 0.249 499 A C -0.322 177.082 177.584 -0.300 0.000 1.083 499 A CA -0.041 51.768 52.037 -0.380 0.000 0.768 499 A CB 0.323 18.890 19.000 -0.722 0.000 1.017 499 A HN 0.869 nan 8.150 nan 0.000 0.496 500 R N 1.557 121.930 120.500 -0.212 0.000 2.549 500 R HA 0.396 4.751 4.340 0.025 0.000 0.259 500 R C 1.462 177.748 176.300 -0.022 0.000 1.095 500 R CA -0.074 55.982 56.100 -0.075 0.000 1.148 500 R CB 0.505 30.792 30.300 -0.023 0.000 1.181 500 R HN 0.748 nan 8.270 nan 0.000 0.571 501 S N 0.227 115.980 115.700 0.088 0.000 2.365 501 S HA -0.195 4.290 4.470 0.025 0.000 0.225 501 S C 1.204 175.842 174.600 0.062 0.000 1.039 501 S CA 1.601 59.880 58.200 0.131 0.000 1.033 501 S CB -0.323 62.950 63.200 0.122 0.000 0.887 501 S HN 0.558 nan 8.310 nan 0.000 0.447 502 H N 0.624 119.728 119.070 0.057 0.000 2.549 502 H HA 0.295 4.866 4.556 0.025 0.000 0.279 502 H C -0.585 174.760 175.328 0.027 0.000 1.018 502 H CA -0.451 55.626 56.048 0.048 0.000 1.175 502 H CB 0.131 29.912 29.762 0.032 0.000 1.485 502 H HN 0.193 nan 8.280 nan 0.000 0.543 503 D N 0.162 120.585 120.400 0.038 0.000 2.455 503 D HA 0.091 4.746 4.640 0.025 0.000 0.241 503 D C 0.813 177.063 176.300 -0.084 0.000 1.138 503 D CA 0.403 54.376 54.000 -0.044 0.000 0.877 503 D CB 1.457 42.144 40.800 -0.188 0.000 1.187 503 D HN 0.403 nan 8.370 nan 0.000 0.451 504 A N 2.561 125.357 122.820 -0.041 0.000 2.419 504 A HA 0.212 4.547 4.320 0.025 0.000 0.233 504 A C -0.530 176.744 177.584 -0.518 0.000 1.217 504 A CA -0.223 51.690 52.037 -0.208 0.000 0.944 504 A CB 0.314 19.257 19.000 -0.095 0.000 1.025 504 A HN 0.514 nan 8.150 nan 0.000 0.524 505 W N -0.931 120.113 121.300 -0.426 0.000 3.138 505 W HA 0.661 5.336 4.660 0.025 0.000 0.331 505 W C -1.053 174.954 176.519 -0.852 0.000 1.166 505 W CA -0.476 56.436 57.345 -0.722 0.000 1.212 505 W CB 1.168 30.114 29.460 -0.857 0.000 1.399 505 W HN -0.119 nan 8.180 nan 0.000 0.514 506 L N 3.322 124.084 121.223 -0.767 0.000 2.349 506 L HA 0.560 4.915 4.340 0.025 0.000 0.278 506 L C -1.215 175.277 176.870 -0.630 0.000 0.996 506 L CA -0.795 53.671 54.840 -0.623 0.000 0.825 506 L CB 0.917 42.642 42.059 -0.558 0.000 1.243 506 L HN 0.219 nan 8.230 nan 0.000 0.412 507 F N 1.173 121.042 119.950 -0.134 0.000 2.382 507 F HA 0.394 4.936 4.527 0.025 0.000 0.361 507 F C 1.194 176.952 175.800 -0.069 0.000 1.109 507 F CA -0.755 57.167 58.000 -0.129 0.000 1.031 507 F CB 1.658 40.547 39.000 -0.184 0.000 1.234 507 F HN 0.523 nan 8.300 nan 0.000 0.445 508 G N 1.755 110.630 108.800 0.124 0.000 2.421 508 G HA2 -0.083 3.892 3.960 0.025 0.000 0.217 508 G HA3 -0.083 3.892 3.960 0.025 0.000 0.217 508 G C 0.702 175.656 174.900 0.091 0.000 1.143 508 G CA 0.369 45.526 45.100 0.095 0.000 0.784 508 G HN 0.629 nan 8.290 nan 0.000 0.541 509 N N -0.446 118.316 118.700 0.103 0.000 1.870 509 N HA -0.179 4.576 4.740 0.025 0.000 0.135 509 N C 0.651 176.201 175.510 0.066 0.000 0.856 509 N CA 0.885 53.973 53.050 0.062 0.000 0.877 509 N CB -1.339 37.158 38.487 0.016 0.000 0.915 509 N HN 0.720 nan 8.380 nan 0.000 0.658 510 A N -0.043 122.803 122.820 0.044 0.000 2.386 510 A HA 0.541 4.876 4.320 0.025 0.000 0.246 510 A C 1.228 178.844 177.584 0.053 0.000 1.089 510 A CA 1.385 53.451 52.037 0.049 0.000 0.790 510 A CB -0.619 18.399 19.000 0.031 0.000 1.042 510 A HN 1.935 nan 8.150 nan 0.000 0.497 511 G N 0.195 109.028 108.800 0.055 0.000 2.757 511 G HA2 -0.096 3.879 3.960 0.025 0.000 0.638 511 G HA3 -0.096 3.879 3.960 0.025 0.000 0.638 511 G C -0.702 174.240 174.900 0.070 0.000 1.344 511 G CA -0.248 44.885 45.100 0.055 0.000 0.855 511 G HN 1.080 nan 8.290 nan 0.000 0.537 512 N N 2.105 120.845 118.700 0.067 0.000 2.500 512 N HA 0.397 5.152 4.740 0.025 0.000 0.236 512 N C -0.704 174.853 175.510 0.078 0.000 1.022 512 N CA -0.242 52.856 53.050 0.079 0.000 0.935 512 N CB 0.936 39.466 38.487 0.072 0.000 1.147 512 N HN 0.509 nan 8.380 nan 0.000 0.512 513 D N 0.502 120.958 120.400 0.093 0.000 2.217 513 D HA 0.343 4.998 4.640 0.025 0.000 0.248 513 D C -0.105 176.254 176.300 0.100 0.000 1.008 513 D CA -0.059 53.993 54.000 0.086 0.000 0.914 513 D CB 1.653 42.506 40.800 0.088 0.000 1.182 513 D HN 0.160 nan 8.370 nan 0.000 0.451 514 T N 1.637 116.240 114.554 0.082 0.000 2.791 514 T HA 0.382 4.747 4.350 0.025 0.000 0.288 514 T C -0.282 174.473 174.700 0.093 0.000 0.999 514 T CA -0.587 61.567 62.100 0.091 0.000 0.952 514 T CB 0.538 69.441 68.868 0.058 0.000 0.938 514 T HN 0.008 nan 8.240 nan 0.000 0.444 515 L N 4.529 125.843 121.223 0.152 0.000 2.280 515 L HA 0.570 4.925 4.340 0.025 0.000 0.287 515 L C -0.263 176.765 176.870 0.262 0.000 1.023 515 L CA -0.330 54.608 54.840 0.163 0.000 0.819 515 L CB 0.977 43.175 42.059 0.231 0.000 1.212 515 L HN 0.622 nan 8.230 nan 0.000 0.420 516 I N 2.489 123.139 120.570 0.134 0.000 2.378 516 I HA 0.530 4.715 4.170 0.025 0.000 0.291 516 I C 0.931 177.113 176.117 0.109 0.000 0.992 516 I CA -0.454 60.940 61.300 0.157 0.000 1.154 516 I CB 1.734 39.772 38.000 0.063 0.000 1.315 516 I HN 0.672 nan 8.210 nan 0.000 0.448 517 G N 4.386 113.355 108.800 0.282 0.000 2.535 517 G HA2 0.432 4.407 3.960 0.025 0.000 0.282 517 G HA3 0.432 4.407 3.960 0.025 0.000 0.282 517 G C -0.661 174.350 174.900 0.184 0.000 1.350 517 G CA -0.262 44.980 45.100 0.236 0.000 1.039 517 G HN 0.845 nan 8.290 nan 0.000 0.509 518 H N -4.185 114.895 119.070 0.017 0.000 2.946 518 H HA 0.633 5.204 4.556 0.025 0.000 0.365 518 H C 1.094 176.415 175.328 -0.011 0.000 1.197 518 H CA -0.584 55.458 56.048 -0.011 0.000 1.131 518 H CB 1.665 31.397 29.762 -0.050 0.000 1.849 518 H HN 0.522 nan 8.280 nan 0.000 0.555 519 A N 1.184 123.995 122.820 -0.016 0.000 1.958 519 A HA -0.184 4.151 4.320 0.025 0.000 0.221 519 A C 2.284 179.750 177.584 -0.196 0.000 1.178 519 A CA 2.056 54.041 52.037 -0.087 0.000 0.642 519 A CB -1.560 17.400 19.000 -0.067 0.000 0.816 519 A HN 0.924 nan 8.150 nan 0.000 0.453 520 G N -1.605 106.945 108.800 -0.416 0.000 2.559 520 G HA2 0.336 4.311 3.960 0.025 0.000 0.216 520 G HA3 0.336 4.311 3.960 0.025 0.000 0.216 520 G C 1.274 175.969 174.900 -0.341 0.000 1.126 520 G CA 0.828 45.676 45.100 -0.420 0.000 0.778 520 G HN 1.576 nan 8.290 nan 0.000 0.543 521 G N 0.825 109.460 108.800 -0.275 0.000 2.582 521 G HA2 -0.368 3.607 3.960 0.025 0.000 0.288 521 G HA3 -0.368 3.607 3.960 0.025 0.000 0.288 521 G C 0.461 175.303 174.900 -0.096 0.000 1.247 521 G CA 0.360 45.406 45.100 -0.091 0.000 0.972 521 G HN 1.158 nan 8.290 nan 0.000 0.557 522 N N -2.177 116.461 118.700 -0.104 0.000 2.721 522 N HA -0.148 4.607 4.740 0.025 0.000 0.249 522 N C -0.200 175.199 175.510 -0.185 0.000 1.072 522 N CA 0.707 53.672 53.050 -0.142 0.000 0.710 522 N CB -0.620 37.783 38.487 -0.141 0.000 0.993 522 N HN 0.807 nan 8.380 nan 0.000 0.547 523 L N 0.170 121.284 121.223 -0.181 0.000 2.334 523 L HA 0.530 4.885 4.340 0.025 0.000 0.273 523 L C -0.100 176.488 176.870 -0.471 0.000 1.013 523 L CA -0.162 54.470 54.840 -0.347 0.000 0.816 523 L CB 2.007 43.862 42.059 -0.340 0.000 1.278 523 L HN -0.029 nan 8.230 nan 0.000 0.431 524 T N 4.802 118.928 114.554 -0.713 0.000 2.756 524 T HA 0.487 4.852 4.350 0.025 0.000 0.290 524 T C -0.582 173.752 174.700 -0.609 0.000 0.985 524 T CA 0.106 61.795 62.100 -0.685 0.000 0.955 524 T CB -0.044 68.176 68.868 -1.081 0.000 0.930 524 T HN 0.231 nan 8.240 nan 0.000 0.451 525 F N 2.331 121.939 119.950 -0.569 0.000 2.405 525 F HA 0.498 5.040 4.527 0.025 0.000 0.355 525 F C 0.203 175.798 175.800 -0.342 0.000 1.121 525 F CA -0.981 56.786 58.000 -0.387 0.000 1.112 525 F CB 1.168 40.032 39.000 -0.228 0.000 1.126 525 F HN 0.177 nan 8.300 nan 0.000 0.481 526 V N 3.520 123.351 119.914 -0.138 0.000 2.340 526 V HA 0.249 4.384 4.120 0.025 0.000 0.277 526 V C 0.815 176.930 176.094 0.035 0.000 1.017 526 V CA -0.501 61.757 62.300 -0.070 0.000 0.820 526 V CB 0.873 32.729 31.823 0.055 0.000 1.028 526 V HN 1.040 nan 8.190 nan 0.000 0.436 527 G N 2.513 111.341 108.800 0.047 0.000 2.443 527 G HA2 0.351 4.326 3.960 0.025 0.000 0.219 527 G HA3 0.351 4.326 3.960 0.025 0.000 0.219 527 G C 0.934 175.930 174.900 0.159 0.000 1.131 527 G CA 0.952 46.134 45.100 0.137 0.000 0.775 527 G HN 1.428 nan 8.290 nan 0.000 0.547 528 G N -0.600 108.305 108.800 0.175 0.000 2.642 528 G HA2 0.028 4.003 3.960 0.025 0.000 0.231 528 G HA3 0.028 4.003 3.960 0.025 0.000 0.231 528 G C 0.463 175.492 174.900 0.214 0.000 1.338 528 G CA 0.521 45.735 45.100 0.189 0.000 0.883 528 G HN 1.559 nan 8.290 nan 0.000 0.570 529 S N -0.018 115.783 115.700 0.167 0.000 2.596 529 S HA 0.649 5.135 4.470 0.025 0.000 0.260 529 S C 1.293 175.973 174.600 0.132 0.000 1.336 529 S CA 1.122 59.411 58.200 0.149 0.000 0.993 529 S CB 1.005 64.264 63.200 0.100 0.000 0.923 529 S HN 2.941 nan 8.310 nan 0.000 0.567 530 G N 0.559 109.425 108.800 0.110 0.000 2.795 530 G HA2 -0.050 3.925 3.960 0.025 0.000 0.664 530 G HA3 -0.050 3.925 3.960 0.025 0.000 0.664 530 G C -1.541 173.436 174.900 0.128 0.000 1.381 530 G CA -0.279 44.881 45.100 0.099 0.000 0.853 530 G HN 0.891 nan 8.290 nan 0.000 0.545 531 D N 1.708 122.176 120.400 0.113 0.000 2.412 531 D HA 0.469 5.124 4.640 0.025 0.000 0.224 531 D C -0.173 176.213 176.300 0.143 0.000 1.093 531 D CA -0.024 54.053 54.000 0.129 0.000 0.850 531 D CB 0.987 41.846 40.800 0.097 0.000 1.046 531 D HN 0.383 nan 8.370 nan 0.000 0.507 532 D N 1.564 122.075 120.400 0.185 0.000 2.269 532 D HA 0.421 5.076 4.640 0.025 0.000 0.244 532 D C 0.377 176.799 176.300 0.204 0.000 0.992 532 D CA -0.517 53.595 54.000 0.187 0.000 0.894 532 D CB 2.333 43.256 40.800 0.206 0.000 1.248 532 D HN 0.210 nan 8.370 nan 0.000 0.468 533 I N 1.575 122.261 120.570 0.192 0.000 2.339 533 I HA 0.230 4.415 4.170 0.025 0.000 0.290 533 I C -0.456 175.804 176.117 0.237 0.000 0.994 533 I CA -0.589 60.843 61.300 0.221 0.000 1.191 533 I CB 1.043 39.144 38.000 0.169 0.000 1.343 533 I HN 0.044 nan 8.210 nan 0.000 0.458 534 L N 7.220 128.601 121.223 0.264 0.000 2.318 534 L HA 0.462 4.817 4.340 0.025 0.000 0.277 534 L C -0.055 176.923 176.870 0.180 0.000 1.008 534 L CA -0.581 54.405 54.840 0.244 0.000 0.846 534 L CB 0.985 43.163 42.059 0.198 0.000 1.220 534 L HN 0.454 nan 8.230 nan 0.000 0.423 535 K N 2.780 123.309 120.400 0.215 0.000 2.244 535 K HA 0.342 4.677 4.320 0.025 0.000 0.263 535 K C 0.306 177.009 176.600 0.171 0.000 1.103 535 K CA -0.338 56.054 56.287 0.175 0.000 0.966 535 K CB 1.227 33.802 32.500 0.125 0.000 1.429 535 K HN 0.782 nan 8.250 nan 0.000 0.434 536 G N 1.690 110.528 108.800 0.064 0.000 2.406 536 G HA2 0.311 4.286 3.960 0.025 0.000 0.251 536 G HA3 0.311 4.286 3.960 0.025 0.000 0.251 536 G C -0.470 174.537 174.900 0.179 0.000 1.271 536 G CA -0.291 44.881 45.100 0.120 0.000 0.859 536 G HN 0.315 nan 8.290 nan 0.000 0.540 537 V N 2.370 122.415 119.914 0.218 0.000 2.709 537 V HA 0.843 4.978 4.120 0.025 0.000 0.308 537 V C 0.943 177.090 176.094 0.089 0.000 1.062 537 V CA 0.504 62.889 62.300 0.140 0.000 0.901 537 V CB 0.799 32.712 31.823 0.149 0.000 1.003 537 V HN 1.743 nan 8.190 nan 0.000 0.425 538 G N 4.991 113.811 108.800 0.033 0.000 2.569 538 G HA2 -0.202 3.773 3.960 0.025 0.000 0.259 538 G HA3 -0.202 3.773 3.960 0.025 0.000 0.259 538 G C -0.452 174.433 174.900 -0.025 0.000 1.263 538 G CA 0.043 45.136 45.100 -0.012 0.000 0.928 538 G HN 0.752 nan 8.290 nan 0.000 0.572 539 N N 0.971 119.640 118.700 -0.053 0.000 2.404 539 N HA 0.595 5.350 4.740 0.025 0.000 0.297 539 N C 0.871 176.334 175.510 -0.079 0.000 1.163 539 N CA 0.891 53.898 53.050 -0.071 0.000 0.864 539 N CB 1.195 39.637 38.487 -0.075 0.000 1.247 539 N HN 2.197 nan 8.380 nan 0.000 0.510 540 G N 0.316 109.061 108.800 -0.092 0.000 2.198 540 G HA2 -0.256 3.719 3.960 0.025 0.000 0.257 540 G HA3 -0.256 3.719 3.960 0.025 0.000 0.257 540 G C -0.473 174.356 174.900 -0.120 0.000 1.042 540 G CA -0.314 44.728 45.100 -0.098 0.000 0.791 540 G HN 0.572 nan 8.290 nan 0.000 0.502 541 N N 0.308 118.937 118.700 -0.119 0.000 2.524 541 N HA 0.506 5.261 4.740 0.025 0.000 0.283 541 N C -0.088 175.241 175.510 -0.301 0.000 1.142 541 N CA 0.290 53.214 53.050 -0.209 0.000 0.984 541 N CB 1.220 39.581 38.487 -0.210 0.000 1.155 541 N HN 0.154 nan 8.380 nan 0.000 0.467 542 T N 1.730 116.031 114.554 -0.423 0.000 2.829 542 T HA 0.508 4.873 4.350 0.025 0.000 0.280 542 T C -0.522 173.853 174.700 -0.541 0.000 0.999 542 T CA -0.386 61.513 62.100 -0.335 0.000 0.983 542 T CB 0.341 69.050 68.868 -0.265 0.000 0.968 542 T HN 0.182 nan 8.240 nan 0.000 0.446 543 F N 2.895 122.793 119.950 -0.087 0.000 2.426 543 F HA 0.609 5.151 4.527 0.025 0.000 0.348 543 F C -0.276 175.181 175.800 -0.572 0.000 1.124 543 F CA -1.125 56.715 58.000 -0.266 0.000 1.008 543 F CB 1.267 40.204 39.000 -0.106 0.000 1.139 543 F HN 0.251 nan 8.300 nan 0.000 0.452 544 L N 5.065 125.872 121.223 -0.694 0.000 2.341 544 L HA 0.737 5.092 4.340 0.025 0.000 0.278 544 L C -1.692 174.589 176.870 -0.980 0.000 1.005 544 L CA -0.825 53.662 54.840 -0.588 0.000 0.818 544 L CB 0.855 42.807 42.059 -0.178 0.000 1.259 544 L HN 0.400 nan 8.230 nan 0.000 0.418 545 F N 3.013 122.722 119.950 -0.402 0.000 2.561 545 F HA 0.692 5.234 4.527 0.025 0.000 0.313 545 F C 0.083 175.728 175.800 -0.257 0.000 1.126 545 F CA -0.542 57.128 58.000 -0.550 0.000 0.918 545 F CB 2.320 40.477 39.000 -1.405 0.000 1.199 545 F HN 0.454 nan 8.300 nan 0.000 0.444 546 S N 1.398 117.199 115.700 0.167 0.000 2.546 546 S HA 0.751 5.236 4.470 0.025 0.000 0.274 546 S C 0.143 174.964 174.600 0.367 0.000 1.121 546 S CA 0.182 58.532 58.200 0.250 0.000 0.887 546 S CB 1.368 64.673 63.200 0.175 0.000 1.094 546 S HN 1.474 nan 8.310 nan 0.000 0.474 547 G N 3.588 112.601 108.800 0.354 0.000 2.596 547 G HA2 -0.214 3.761 3.960 0.025 0.000 0.295 547 G HA3 -0.214 3.761 3.960 0.025 0.000 0.295 547 G C -0.854 174.241 174.900 0.326 0.000 1.240 547 G CA 0.459 45.749 45.100 0.318 0.000 0.985 547 G HN 0.766 nan 8.290 nan 0.000 0.555 548 D N 1.875 122.405 120.400 0.216 0.000 2.453 548 D HA 0.382 5.037 4.640 0.025 0.000 0.223 548 D C 1.074 177.454 176.300 0.133 0.000 1.183 548 D CA 0.189 54.256 54.000 0.111 0.000 0.933 548 D CB -0.273 40.565 40.800 0.064 0.000 1.038 548 D HN 0.441 nan 8.370 nan 0.000 0.513 549 F N 0.066 120.109 119.950 0.154 0.000 2.692 549 F HA 0.377 4.919 4.527 0.025 0.000 0.303 549 F C 1.170 177.076 175.800 0.176 0.000 1.114 549 F CA -0.340 57.770 58.000 0.184 0.000 1.361 549 F CB -0.113 39.052 39.000 0.276 0.000 1.063 549 F HN 0.333 nan 8.300 nan 0.000 0.550 550 G N 1.909 110.622 108.800 -0.144 0.000 2.601 550 G HA2 -0.267 3.708 3.960 0.025 0.000 0.252 550 G HA3 -0.267 3.708 3.960 0.025 0.000 0.252 550 G C -0.456 174.398 174.900 -0.078 0.000 1.294 550 G CA -0.393 44.674 45.100 -0.055 0.000 0.912 550 G HN 0.584 nan 8.290 nan 0.000 0.574 551 R N 0.857 121.388 120.500 0.051 0.000 2.310 551 R HA 0.453 4.808 4.340 0.025 0.000 0.316 551 R C -1.340 175.054 176.300 0.157 0.000 1.004 551 R CA -0.784 55.364 56.100 0.079 0.000 0.900 551 R CB 1.114 31.442 30.300 0.048 0.000 1.152 551 R HN 0.463 nan 8.270 nan 0.000 0.513 552 D N 1.884 122.427 120.400 0.238 0.000 2.277 552 D HA 0.195 4.850 4.640 0.025 0.000 0.250 552 D C -0.202 176.188 176.300 0.150 0.000 1.032 552 D CA -0.271 53.882 54.000 0.255 0.000 0.947 552 D CB 1.357 42.414 40.800 0.429 0.000 1.159 552 D HN 0.220 nan 8.370 nan 0.000 0.460 553 Q N 0.727 120.609 119.800 0.137 0.000 2.333 553 Q HA 0.482 4.837 4.340 0.025 0.000 0.268 553 Q C -0.844 175.167 176.000 0.018 0.000 1.007 553 Q CA -0.620 55.202 55.803 0.031 0.000 0.810 553 Q CB 2.544 31.333 28.738 0.085 0.000 1.264 553 Q HN 0.314 nan 8.270 nan 0.000 0.452 554 L N 3.962 125.081 121.223 -0.174 0.000 2.294 554 L HA 0.459 4.814 4.340 0.025 0.000 0.283 554 L C -1.477 175.211 176.870 -0.304 0.000 1.015 554 L CA -0.627 54.078 54.840 -0.224 0.000 0.831 554 L CB 0.510 42.333 42.059 -0.393 0.000 1.217 554 L HN 0.636 nan 8.230 nan 0.000 0.420 555 Y N 2.724 122.956 120.300 -0.113 0.000 2.376 555 Y HA 0.517 5.082 4.550 0.025 0.000 0.325 555 Y C 1.388 177.258 175.900 -0.051 0.000 1.199 555 Y CA 0.194 58.261 58.100 -0.055 0.000 1.206 555 Y CB 1.798 40.253 38.460 -0.009 0.000 1.229 555 Y HN 0.741 nan 8.280 nan 0.000 0.480 556 G N 1.234 110.124 108.800 0.150 0.000 2.159 556 G HA2 -0.336 3.639 3.960 0.025 0.000 0.256 556 G HA3 -0.336 3.639 3.960 0.025 0.000 0.256 556 G C -0.107 174.845 174.900 0.087 0.000 0.977 556 G CA -0.333 44.833 45.100 0.110 0.000 0.652 556 G HN 0.531 nan 8.290 nan 0.000 0.531 557 F N 2.495 122.387 119.950 -0.097 0.000 2.572 557 F HA 0.456 4.998 4.527 0.025 0.000 0.370 557 F C 0.634 176.420 175.800 -0.024 0.000 1.103 557 F CA 0.442 58.383 58.000 -0.098 0.000 1.286 557 F CB 0.481 39.359 39.000 -0.204 0.000 1.105 557 F HN 0.583 nan 8.300 nan 0.000 0.583 558 N N 3.237 121.533 118.700 -0.674 0.000 2.902 558 N HA 0.504 5.259 4.740 0.025 0.000 0.268 558 N C -0.118 175.084 175.510 -0.514 0.000 1.450 558 N CA -0.344 52.464 53.050 -0.402 0.000 0.819 558 N CB 0.769 39.138 38.487 -0.197 0.000 1.540 558 N HN 0.466 nan 8.380 nan 0.000 0.545 559 A N -0.338 122.341 122.820 -0.235 0.000 2.084 559 A HA -0.132 4.203 4.320 0.025 0.000 0.221 559 A C 1.702 179.192 177.584 -0.157 0.000 1.161 559 A CA 2.221 54.171 52.037 -0.145 0.000 0.653 559 A CB -1.238 17.721 19.000 -0.069 0.000 0.802 559 A HN 0.884 nan 8.150 nan 0.000 0.457 560 S N -1.039 114.544 115.700 -0.195 0.000 2.556 560 S HA 0.116 4.601 4.470 0.025 0.000 0.216 560 S C 0.002 174.504 174.600 -0.164 0.000 0.970 560 S CA -0.233 57.883 58.200 -0.141 0.000 0.912 560 S CB -0.069 63.065 63.200 -0.110 0.000 0.790 560 S HN 0.383 nan 8.310 nan 0.000 0.504 561 D N 1.674 121.888 120.400 -0.311 0.000 2.388 561 D HA 0.494 5.149 4.640 0.025 0.000 0.254 561 D C -0.468 175.823 176.300 -0.016 0.000 1.111 561 D CA -0.210 53.648 54.000 -0.236 0.000 0.993 561 D CB 1.003 41.543 40.800 -0.434 0.000 1.118 561 D HN 0.209 nan 8.370 nan 0.000 0.502 562 K N 0.412 120.957 120.400 0.241 0.000 2.464 562 K HA 0.498 4.833 4.320 0.025 0.000 0.253 562 K C -1.449 175.380 176.600 0.382 0.000 0.933 562 K CA -0.608 55.849 56.287 0.284 0.000 0.801 562 K CB 1.313 33.880 32.500 0.112 0.000 1.271 562 K HN 0.272 nan 8.250 nan 0.000 0.430 563 L N 3.391 124.774 121.223 0.266 0.000 2.322 563 L HA 0.586 4.941 4.340 0.025 0.000 0.281 563 L C -0.835 175.957 176.870 -0.129 0.000 1.014 563 L CA -1.225 53.651 54.840 0.059 0.000 0.815 563 L CB 1.883 43.931 42.059 -0.018 0.000 1.247 563 L HN 0.235 nan 8.230 nan 0.000 0.421 564 V N 3.335 123.068 119.914 -0.302 0.000 2.443 564 V HA 0.453 4.588 4.120 0.025 0.000 0.293 564 V C -0.794 175.037 176.094 -0.438 0.000 1.021 564 V CA -0.374 61.765 62.300 -0.268 0.000 0.848 564 V CB 1.513 33.274 31.823 -0.103 0.000 0.998 564 V HN 0.395 nan 8.190 nan 0.000 0.424 565 F N 5.375 125.292 119.950 -0.054 0.000 2.444 565 F HA 0.707 5.249 4.527 0.025 0.000 0.342 565 F C 0.045 175.825 175.800 -0.034 0.000 1.121 565 F CA -0.664 57.275 58.000 -0.102 0.000 0.997 565 F CB 1.560 40.421 39.000 -0.232 0.000 1.130 565 F HN 0.230 nan 8.300 nan 0.000 0.454 566 I N 2.109 122.784 120.570 0.175 0.000 2.466 566 I HA 0.505 4.690 4.170 0.025 0.000 0.289 566 I C 0.445 176.716 176.117 0.258 0.000 1.026 566 I CA -1.025 60.378 61.300 0.171 0.000 1.078 566 I CB 1.872 39.929 38.000 0.095 0.000 1.249 566 I HN 0.803 nan 8.210 nan 0.000 0.429 567 G N 3.824 112.846 108.800 0.371 0.000 2.350 567 G HA2 -0.206 3.769 3.960 0.025 0.000 0.298 567 G HA3 -0.206 3.769 3.960 0.025 0.000 0.298 567 G C 0.039 175.158 174.900 0.365 0.000 1.037 567 G CA 0.529 45.899 45.100 0.451 0.000 1.074 567 G HN 0.845 nan 8.290 nan 0.000 0.511 568 T N -2.674 112.098 114.554 0.363 0.000 2.950 568 T HA 0.696 5.061 4.350 0.025 0.000 0.288 568 T C 0.166 175.128 174.700 0.437 0.000 1.035 568 T CA -0.758 61.576 62.100 0.390 0.000 1.028 568 T CB 2.116 71.180 68.868 0.327 0.000 1.109 568 T HN 0.325 nan 8.240 nan 0.000 0.514 569 E N 0.172 120.636 120.200 0.440 0.000 2.413 569 E HA 0.446 4.811 4.350 0.025 0.000 0.263 569 E C 0.523 177.361 176.600 0.396 0.000 1.015 569 E CA 0.467 57.094 56.400 0.379 0.000 0.916 569 E CB 0.205 30.077 29.700 0.287 0.000 0.947 569 E HN 1.163 nan 8.360 nan 0.000 0.440 570 G N 0.642 109.537 108.800 0.159 0.000 2.906 570 G HA2 0.049 4.024 3.960 0.025 0.000 0.686 570 G HA3 0.049 4.024 3.960 0.025 0.000 0.686 570 G C 0.076 174.890 174.900 -0.144 0.000 1.170 570 G CA -0.359 44.734 45.100 -0.011 0.000 0.775 570 G HN 0.549 nan 8.290 nan 0.000 0.630 571 A N 1.226 123.822 122.820 -0.374 0.000 2.147 571 A HA 0.671 5.006 4.320 0.025 0.000 0.211 571 A C 1.732 179.302 177.584 -0.023 0.000 1.160 571 A CA 1.682 53.522 52.037 -0.329 0.000 0.781 571 A CB -0.023 18.743 19.000 -0.389 0.000 0.842 571 A HN 2.238 nan 8.150 nan 0.000 0.475 572 S N -0.233 115.452 115.700 -0.025 0.000 2.562 572 S HA 0.375 4.861 4.470 0.025 0.000 0.281 572 S C 1.195 175.915 174.600 0.200 0.000 1.333 572 S CA 0.143 58.366 58.200 0.038 0.000 1.052 572 S CB 1.066 64.203 63.200 -0.104 0.000 0.884 572 S HN 0.488 nan 8.310 nan 0.000 0.506 573 G N 3.254 112.130 108.800 0.128 0.000 3.042 573 G HA2 0.073 4.048 3.960 0.025 0.000 0.212 573 G HA3 0.073 4.048 3.960 0.025 0.000 0.212 573 G C 0.333 175.296 174.900 0.105 0.000 1.166 573 G CA -0.304 44.867 45.100 0.119 0.000 0.767 573 G HN 0.650 nan 8.290 nan 0.000 0.546 574 N N 0.890 119.664 118.700 0.123 0.000 2.511 574 N HA 0.169 4.924 4.740 0.025 0.000 0.249 574 N C 0.913 176.510 175.510 0.146 0.000 0.971 574 N CA -0.750 52.354 53.050 0.090 0.000 0.938 574 N CB 1.415 39.926 38.487 0.039 0.000 1.131 574 N HN -0.102 nan 8.380 nan 0.000 0.505 575 I N 4.034 124.655 120.570 0.086 0.000 2.502 575 I HA -0.168 4.017 4.170 0.025 0.000 0.258 575 I C 2.297 178.463 176.117 0.082 0.000 1.172 575 I CA 1.163 62.496 61.300 0.055 0.000 1.430 575 I CB -0.127 37.863 38.000 -0.018 0.000 1.086 575 I HN 0.607 nan 8.210 nan 0.000 0.440 576 R N 0.276 120.799 120.500 0.038 0.000 2.096 576 R HA -0.186 4.169 4.340 0.025 0.000 0.235 576 R C 1.585 177.861 176.300 -0.040 0.000 1.127 576 R CA 1.798 57.893 56.100 -0.008 0.000 0.968 576 R CB -0.374 29.913 30.300 -0.021 0.000 0.861 576 R HN 0.353 nan 8.270 nan 0.000 0.440 577 D N -0.440 119.929 120.400 -0.053 0.000 2.309 577 D HA -0.161 4.494 4.640 0.025 0.000 0.212 577 D C 0.757 176.829 176.300 -0.380 0.000 0.968 577 D CA 1.141 55.011 54.000 -0.218 0.000 0.882 577 D CB -0.006 40.614 40.800 -0.300 0.000 0.918 577 D HN 0.453 nan 8.370 nan 0.000 0.503 578 Y N -0.047 120.077 120.300 -0.294 0.000 2.458 578 Y HA 0.364 4.929 4.550 0.025 0.000 0.256 578 Y C 1.008 176.718 175.900 -0.317 0.000 1.159 578 Y CA -0.398 57.450 58.100 -0.420 0.000 1.261 578 Y CB 0.549 38.580 38.460 -0.716 0.000 1.119 578 Y HN -0.186 nan 8.280 nan 0.000 0.524 579 A N 0.829 123.600 122.820 -0.083 0.000 2.312 579 A HA 0.694 5.029 4.320 0.025 0.000 0.326 579 A C 0.060 177.591 177.584 -0.087 0.000 1.172 579 A CA -0.179 51.809 52.037 -0.082 0.000 0.821 579 A CB 0.295 19.256 19.000 -0.064 0.000 1.166 579 A HN 0.188 nan 8.150 nan 0.000 0.493 580 T N -0.198 114.309 114.554 -0.079 0.000 2.933 580 T HA 0.559 4.924 4.350 0.025 0.000 0.305 580 T C -0.772 173.891 174.700 -0.062 0.000 1.092 580 T CA -0.702 61.355 62.100 -0.071 0.000 1.008 580 T CB 1.519 70.345 68.868 -0.071 0.000 1.102 580 T HN 0.582 nan 8.240 nan 0.000 0.469 581 Q N 1.523 121.290 119.800 -0.055 0.000 2.279 581 Q HA 0.365 4.720 4.340 0.025 0.000 0.256 581 Q C -0.748 175.227 176.000 -0.043 0.000 0.937 581 Q CA 0.036 55.810 55.803 -0.048 0.000 0.933 581 Q CB 0.912 29.623 28.738 -0.044 0.000 1.189 581 Q HN 0.684 nan 8.270 nan 0.000 0.417 582 Q N 4.377 124.152 119.800 -0.041 0.000 2.456 582 Q HA 0.309 4.664 4.340 0.025 0.000 0.252 582 Q C -0.466 175.516 176.000 -0.029 0.000 1.042 582 Q CA -0.398 55.385 55.803 -0.035 0.000 0.766 582 Q CB 0.753 29.470 28.738 -0.036 0.000 1.196 582 Q HN 0.874 nan 8.270 nan 0.000 0.504 583 N N 0.858 119.544 118.700 -0.023 0.000 1.170 583 N HA -0.273 4.482 4.740 0.025 0.000 0.121 583 N C -0.258 175.243 175.510 -0.015 0.000 0.786 583 N CA 1.640 54.681 53.050 -0.016 0.000 0.876 583 N CB -0.608 37.871 38.487 -0.012 0.000 1.094 583 N HN 0.532 nan 8.380 nan 0.000 0.586 584 D N 1.039 121.432 120.400 -0.012 0.000 2.363 584 D HA 0.071 4.726 4.640 0.025 0.000 0.226 584 D C -0.631 175.655 176.300 -0.024 0.000 1.020 584 D CA 0.942 54.937 54.000 -0.008 0.000 0.892 584 D CB -0.383 40.416 40.800 -0.001 0.000 0.900 584 D HN 0.283 nan 8.370 nan 0.000 0.531 585 D N 0.481 120.857 120.400 -0.040 0.000 2.256 585 D HA 0.269 4.924 4.640 0.025 0.000 0.246 585 D C -0.335 175.925 176.300 -0.066 0.000 1.042 585 D CA -0.694 53.266 54.000 -0.066 0.000 0.841 585 D CB 2.354 43.106 40.800 -0.080 0.000 1.223 585 D HN -0.079 nan 8.370 nan 0.000 0.470 586 L N 2.382 123.555 121.223 -0.083 0.000 2.272 586 L HA 0.366 4.721 4.340 0.025 0.000 0.289 586 L C -1.202 175.612 176.870 -0.093 0.000 1.032 586 L CA -0.525 54.265 54.840 -0.083 0.000 0.810 586 L CB 1.380 43.385 42.059 -0.090 0.000 1.205 586 L HN 0.105 nan 8.230 nan 0.000 0.422 587 V N 6.951 126.821 119.914 -0.074 0.000 2.350 587 V HA 0.345 4.480 4.120 0.025 0.000 0.276 587 V C 0.081 176.139 176.094 -0.059 0.000 1.028 587 V CA -0.495 61.769 62.300 -0.061 0.000 0.860 587 V CB 1.137 32.931 31.823 -0.050 0.000 0.990 587 V HN 0.586 nan 8.190 nan 0.000 0.453 588 L N 5.085 126.287 121.223 -0.035 0.000 2.255 588 L HA 0.720 5.075 4.340 0.025 0.000 0.289 588 L C 0.479 177.366 176.870 0.029 0.000 1.046 588 L CA -0.242 54.572 54.840 -0.043 0.000 0.816 588 L CB 1.121 43.173 42.059 -0.010 0.000 1.197 588 L HN 0.689 nan 8.230 nan 0.000 0.427 589 A N 3.813 126.563 122.820 -0.116 0.000 2.276 589 A HA 0.732 5.067 4.320 0.025 0.000 0.316 589 A C -0.627 176.846 177.584 -0.185 0.000 1.229 589 A CA -0.270 51.738 52.037 -0.049 0.000 0.851 589 A CB 0.197 19.148 19.000 -0.083 0.000 1.165 589 A HN 0.648 nan 8.150 nan 0.000 0.513 590 F N 2.886 122.842 119.950 0.009 0.000 2.627 590 F HA 0.458 5.000 4.527 0.025 0.000 0.329 590 F C 1.396 177.172 175.800 -0.039 0.000 1.378 590 F CA 0.582 58.613 58.000 0.051 0.000 1.134 590 F CB 0.770 39.823 39.000 0.089 0.000 1.229 590 F HN 1.074 nan 8.300 nan 0.000 0.537 591 G N 0.933 109.739 108.800 0.009 0.000 2.601 591 G HA2 -0.424 3.551 3.960 0.025 0.000 0.306 591 G HA3 -0.424 3.551 3.960 0.025 0.000 0.306 591 G C 0.842 175.635 174.900 -0.178 0.000 1.172 591 G CA 0.790 45.817 45.100 -0.122 0.000 0.966 591 G HN 0.531 nan 8.290 nan 0.000 0.542 592 H N 1.475 120.539 119.070 -0.009 0.000 2.529 592 H HA 0.440 5.011 4.556 0.025 0.000 0.277 592 H C 1.464 176.719 175.328 -0.122 0.000 0.999 592 H CA 0.932 56.953 56.048 -0.045 0.000 1.256 592 H CB 0.144 29.887 29.762 -0.030 0.000 1.402 592 H HN 0.343 nan 8.280 nan 0.000 0.566 593 S N 0.358 115.988 115.700 -0.117 0.000 2.664 593 S HA 0.461 4.947 4.470 0.025 0.000 0.304 593 S C -0.494 173.972 174.600 -0.225 0.000 1.099 593 S CA -1.004 56.907 58.200 -0.481 0.000 1.003 593 S CB 2.310 64.675 63.200 -1.393 0.000 1.092 593 S HN 0.451 nan 8.310 nan 0.000 0.525 594 Q N -0.907 118.795 119.800 -0.163 0.000 2.702 594 Q HA 0.715 5.070 4.340 0.025 0.000 0.289 594 Q C -2.170 173.997 176.000 0.277 0.000 0.923 594 Q CA -0.961 54.963 55.803 0.202 0.000 0.787 594 Q CB 1.552 30.350 28.738 0.100 0.000 1.476 594 Q HN 0.502 nan 8.270 nan 0.000 0.402 595 V N 0.798 120.836 119.914 0.208 0.000 2.638 595 V HA 0.664 4.799 4.120 0.025 0.000 0.306 595 V C -1.392 174.691 176.094 -0.018 0.000 1.052 595 V CA -0.091 62.243 62.300 0.056 0.000 0.885 595 V CB 2.318 34.029 31.823 -0.188 0.000 0.999 595 V HN 0.921 nan 8.190 nan 0.000 0.424 596 T N 8.206 122.731 114.554 -0.049 0.000 2.756 596 T HA 0.565 4.930 4.350 0.025 0.000 0.290 596 T C -0.491 174.096 174.700 -0.189 0.000 0.985 596 T CA -0.124 61.913 62.100 -0.104 0.000 0.955 596 T CB 0.791 69.605 68.868 -0.090 0.000 0.930 596 T HN 0.474 nan 8.240 nan 0.000 0.451 597 L N 4.678 125.771 121.223 -0.215 0.000 2.268 597 L HA 0.377 4.732 4.340 0.025 0.000 0.289 597 L C -0.039 176.695 176.870 -0.228 0.000 1.064 597 L CA -0.425 54.251 54.840 -0.273 0.000 0.824 597 L CB 0.050 41.911 42.059 -0.329 0.000 1.202 597 L HN 0.523 nan 8.230 nan 0.000 0.433 598 I N 3.469 123.854 120.570 -0.309 0.000 2.556 598 I HA 0.280 4.465 4.170 0.025 0.000 0.284 598 I C 1.368 177.409 176.117 -0.126 0.000 1.114 598 I CA 0.355 61.489 61.300 -0.276 0.000 1.418 598 I CB 0.424 38.106 38.000 -0.529 0.000 1.394 598 I HN 0.772 nan 8.210 nan 0.000 0.552 599 G N 4.154 112.914 108.800 -0.067 0.000 2.249 599 G HA2 -0.140 3.835 3.960 0.025 0.000 0.273 599 G HA3 -0.140 3.835 3.960 0.025 0.000 0.273 599 G C -0.124 174.789 174.900 0.020 0.000 1.036 599 G CA 0.239 45.334 45.100 -0.009 0.000 0.824 599 G HN 0.518 nan 8.290 nan 0.000 0.504 600 V N 0.034 119.955 119.914 0.011 0.000 2.823 600 V HA 0.873 5.008 4.120 0.025 0.000 0.312 600 V C 0.354 176.480 176.094 0.053 0.000 1.072 600 V CA -0.115 62.222 62.300 0.062 0.000 0.937 600 V CB 2.246 34.090 31.823 0.035 0.000 1.013 600 V HN 1.059 nan 8.190 nan 0.000 0.430 601 S N 2.685 118.455 115.700 0.115 0.000 2.568 601 S HA 0.576 5.061 4.470 0.025 0.000 0.293 601 S C 0.288 174.883 174.600 -0.009 0.000 1.089 601 S CA -0.611 57.603 58.200 0.024 0.000 0.945 601 S CB 1.947 65.139 63.200 -0.014 0.000 1.077 601 S HN 0.553 nan 8.310 nan 0.000 0.485 602 L N 1.575 122.767 121.223 -0.051 0.000 2.127 602 L HA -0.055 4.300 4.340 0.025 0.000 0.211 602 L C 1.861 178.697 176.870 -0.057 0.000 1.089 602 L CA 2.274 57.089 54.840 -0.042 0.000 0.757 602 L CB -0.873 41.156 42.059 -0.050 0.000 0.899 602 L HN 0.945 nan 8.230 nan 0.000 0.434 603 D N -2.775 117.532 120.400 -0.155 0.000 2.378 603 D HA -0.192 4.463 4.640 0.025 0.000 0.227 603 D C 1.102 177.281 176.300 -0.203 0.000 1.012 603 D CA 0.763 54.647 54.000 -0.193 0.000 0.905 603 D CB -0.565 40.085 40.800 -0.250 0.000 0.895 603 D HN 0.465 nan 8.370 nan 0.000 0.532 604 H N -0.210 118.884 119.070 0.041 0.000 2.594 604 H HA 0.375 4.946 4.556 0.025 0.000 0.279 604 H C 0.189 175.571 175.328 0.090 0.000 1.042 604 H CA -0.303 55.779 56.048 0.056 0.000 1.177 604 H CB 0.947 30.744 29.762 0.058 0.000 1.524 604 H HN 0.207 nan 8.280 nan 0.000 0.537 605 I N 2.131 122.807 120.570 0.177 0.000 2.362 605 I HA 0.109 4.294 4.170 0.025 0.000 0.289 605 I C 0.544 176.736 176.117 0.126 0.000 0.994 605 I CA -0.605 60.809 61.300 0.189 0.000 1.158 605 I CB 1.493 39.596 38.000 0.171 0.000 1.315 605 I HN 0.017 nan 8.210 nan 0.000 0.451 606 S N 2.500 118.274 115.700 0.122 0.000 2.669 606 S HA 0.198 4.683 4.470 0.025 0.000 0.270 606 S C 1.290 175.941 174.600 0.085 0.000 1.225 606 S CA -0.059 58.192 58.200 0.085 0.000 0.991 606 S CB 1.396 64.637 63.200 0.069 0.000 0.987 606 S HN 0.759 nan 8.310 nan 0.000 0.552 607 T N -1.574 113.018 114.554 0.064 0.000 2.915 607 T HA -0.095 4.270 4.350 0.025 0.000 0.269 607 T C 0.999 175.738 174.700 0.065 0.000 1.071 607 T CA 1.281 63.417 62.100 0.060 0.000 1.132 607 T CB -0.689 68.207 68.868 0.046 0.000 0.878 607 T HN 0.618 nan 8.240 nan 0.000 0.479 608 D N 1.692 122.131 120.400 0.064 0.000 2.264 608 D HA -0.051 4.604 4.640 0.025 0.000 0.208 608 D C 2.054 178.403 176.300 0.082 0.000 0.966 608 D CA 0.785 54.824 54.000 0.065 0.000 0.864 608 D CB -0.138 40.694 40.800 0.053 0.000 0.933 608 D HN 0.606 nan 8.370 nan 0.000 0.499 609 Q N -0.169 119.696 119.800 0.109 0.000 2.403 609 Q HA 0.092 4.447 4.340 0.025 0.000 0.203 609 Q C -0.300 175.809 176.000 0.182 0.000 0.932 609 Q CA 0.197 56.099 55.803 0.166 0.000 0.945 609 Q CB 1.302 30.188 28.738 0.247 0.000 1.045 609 Q HN 0.003 nan 8.270 nan 0.000 0.511 610 V N 0.665 120.652 119.914 0.122 0.000 2.668 610 V HA 0.294 4.429 4.120 0.025 0.000 0.304 610 V C -0.700 175.425 176.094 0.052 0.000 1.071 610 V CA -0.808 61.563 62.300 0.118 0.000 0.894 610 V CB 2.290 34.196 31.823 0.139 0.000 1.008 610 V HN -0.232 nan 8.190 nan 0.000 0.425 611 V N 6.134 126.050 119.914 0.004 0.000 2.409 611 V HA 0.510 4.645 4.120 0.025 0.000 0.291 611 V C -0.388 175.707 176.094 0.002 0.000 1.020 611 V CA -0.453 61.766 62.300 -0.134 0.000 0.848 611 V CB 1.754 33.254 31.823 -0.538 0.000 0.990 611 V HN 0.666 nan 8.190 nan 0.000 0.430 612 L N 5.216 126.446 121.223 0.012 0.000 2.276 612 L HA 0.830 5.185 4.340 0.025 0.000 0.286 612 L C 0.305 177.203 176.870 0.048 0.000 1.024 612 L CA 0.063 54.947 54.840 0.073 0.000 0.826 612 L CB 1.281 43.373 42.059 0.054 0.000 1.211 612 L HN 0.790 nan 8.230 nan 0.000 0.422 613 A N 0.000 122.863 122.820 0.072 0.000 2.254 613 A HA 0.000 4.335 4.320 0.025 0.000 0.244 613 A CA 0.000 52.091 52.037 0.090 0.000 0.836 613 A CB 0.000 19.009 19.000 0.015 0.000 0.831 613 A HN 0.000 nan 8.150 nan 0.000 0.486