REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2qub_1_G 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 0.000 174.490 174.600 -0.183 0.000 1.055 -1 S CA 0.000 58.082 58.200 -0.197 0.000 1.107 -1 S CB 0.000 63.136 63.200 -0.108 0.000 0.593 0 H N 4.736 123.798 119.070 -0.013 0.000 2.683 0 H HA 0.338 4.893 4.556 -0.000 0.000 0.339 0 H C 0.615 175.914 175.328 -0.048 0.000 1.081 0 H CA -0.125 55.897 56.048 -0.043 0.000 1.432 0 H CB 0.866 30.596 29.762 -0.053 0.000 1.462 0 H HN 0.548 nan 8.280 nan 0.000 0.557 1 M N 1.053 120.684 119.600 0.052 0.000 2.306 1 M HA 0.187 4.666 4.480 -0.000 0.000 0.292 1 M C 0.716 176.999 176.300 -0.028 0.000 1.018 1 M CA 0.143 55.460 55.300 0.028 0.000 1.007 1 M CB 0.380 33.000 32.600 0.034 0.000 1.510 1 M HN 0.863 nan 8.290 nan 0.000 0.537 2 G N 1.455 110.121 108.800 -0.223 0.000 2.784 2 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.686 2 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.686 2 G C 0.271 174.871 174.900 -0.500 0.000 1.156 2 G CA -0.304 44.410 45.100 -0.643 0.000 0.757 2 G HN 0.367 nan 8.290 nan 0.000 0.642 3 I N 0.345 120.422 120.570 -0.822 0.000 2.454 3 I HA 0.016 4.186 4.170 -0.000 0.000 0.254 3 I C 1.530 177.466 176.117 -0.301 0.000 1.156 3 I CA 1.279 62.217 61.300 -0.603 0.000 1.433 3 I CB -0.118 37.375 38.000 -0.844 0.000 1.082 3 I HN 0.409 nan 8.210 nan 0.000 0.432 4 F N 0.472 120.429 119.950 0.011 0.000 2.668 4 F HA 0.301 4.828 4.527 -0.000 0.000 0.297 4 F C 1.261 177.157 175.800 0.160 0.000 1.124 4 F CA -0.605 57.430 58.000 0.060 0.000 1.353 4 F CB -1.201 37.715 39.000 -0.139 0.000 0.992 4 F HN -0.134 nan 8.300 nan 0.000 0.524 5 S N 0.697 116.545 115.700 0.247 0.000 2.552 5 S HA 0.059 4.529 4.470 -0.000 0.000 0.289 5 S C -0.898 173.871 174.600 0.282 0.000 1.304 5 S CA 0.112 58.447 58.200 0.224 0.000 1.063 5 S CB 0.137 63.405 63.200 0.114 0.000 0.848 5 S HN 0.325 nan 8.310 nan 0.000 0.499 6 Y N 5.037 125.413 120.300 0.126 0.000 2.346 6 Y HA 0.420 4.970 4.550 -0.000 0.000 0.332 6 Y C 0.401 176.351 175.900 0.083 0.000 0.985 6 Y CA -0.538 57.628 58.100 0.110 0.000 1.112 6 Y CB 0.708 39.242 38.460 0.123 0.000 1.170 6 Y HN 1.031 nan 8.280 nan 0.000 0.447 7 K N 1.314 121.456 120.400 -0.429 0.000 1.824 7 K HA -0.293 4.027 4.320 -0.000 0.000 0.120 7 K C 0.016 176.550 176.600 -0.109 0.000 1.268 7 K CA 2.159 58.244 56.287 -0.338 0.000 0.420 7 K CB -0.827 31.391 32.500 -0.470 0.000 0.586 7 K HN 0.881 nan 8.250 nan 0.000 0.907 8 D N 1.324 121.688 120.400 -0.060 0.000 2.424 8 D HA 0.161 4.801 4.640 -0.000 0.000 0.220 8 D C 0.318 176.637 176.300 0.032 0.000 1.150 8 D CA -0.014 53.980 54.000 -0.010 0.000 0.831 8 D CB -0.239 40.552 40.800 -0.016 0.000 0.981 8 D HN 0.248 nan 8.370 nan 0.000 0.500 9 L N 1.544 122.810 121.223 0.072 0.000 2.467 9 L HA 0.115 4.454 4.340 -0.000 0.000 0.270 9 L C 0.743 177.667 176.870 0.090 0.000 1.205 9 L CA -0.411 54.491 54.840 0.102 0.000 0.828 9 L CB 0.319 42.479 42.059 0.168 0.000 1.101 9 L HN 0.051 nan 8.230 nan 0.000 0.479 10 D N -0.120 120.328 120.400 0.080 0.000 2.377 10 D HA -0.014 4.625 4.640 -0.000 0.000 0.245 10 D C 0.754 177.116 176.300 0.103 0.000 1.196 10 D CA -0.533 53.514 54.000 0.078 0.000 0.962 10 D CB 0.609 41.447 40.800 0.063 0.000 1.127 10 D HN 0.601 nan 8.370 nan 0.000 0.471 11 E N -0.328 119.936 120.200 0.108 0.000 2.085 11 E HA -0.291 4.058 4.350 -0.000 0.000 0.194 11 E C 1.284 177.963 176.600 0.132 0.000 0.994 11 E CA 1.248 57.734 56.400 0.143 0.000 0.801 11 E CB 0.002 29.793 29.700 0.152 0.000 0.743 11 E HN 0.387 nan 8.360 nan 0.000 0.453 12 N N 0.199 118.957 118.700 0.096 0.000 2.166 12 N HA -0.133 4.607 4.740 -0.000 0.000 0.186 12 N C 1.561 177.117 175.510 0.076 0.000 1.019 12 N CA 1.255 54.347 53.050 0.071 0.000 0.856 12 N CB -0.412 38.106 38.487 0.053 0.000 0.993 12 N HN 0.254 nan 8.380 nan 0.000 0.426 13 A N 0.332 123.204 122.820 0.087 0.000 1.898 13 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 13 A C 2.504 180.163 177.584 0.125 0.000 1.181 13 A CA 1.545 53.638 52.037 0.093 0.000 0.620 13 A CB -0.680 18.374 19.000 0.090 0.000 0.819 13 A HN 0.233 nan 8.150 nan 0.000 0.442 14 S N -0.298 115.497 115.700 0.159 0.000 2.368 14 S HA -0.146 4.323 4.470 -0.000 0.000 0.225 14 S C 1.973 176.703 174.600 0.217 0.000 1.030 14 S CA 1.625 59.953 58.200 0.212 0.000 0.999 14 S CB -0.220 63.132 63.200 0.252 0.000 0.844 14 S HN 0.615 nan 8.310 nan 0.000 0.459 15 K N 1.168 121.664 120.400 0.160 0.000 2.057 15 K HA 0.002 4.322 4.320 -0.000 0.000 0.207 15 K C 2.378 179.069 176.600 0.151 0.000 1.049 15 K CA 1.184 57.535 56.287 0.106 0.000 0.931 15 K CB -0.282 32.189 32.500 -0.049 0.000 0.714 15 K HN 0.328 nan 8.250 nan 0.000 0.440 16 A N 1.452 124.340 122.820 0.113 0.000 1.898 16 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 16 A C 2.098 179.754 177.584 0.120 0.000 1.181 16 A CA 1.001 53.099 52.037 0.102 0.000 0.620 16 A CB -0.483 18.558 19.000 0.068 0.000 0.819 16 A HN 0.240 nan 8.150 nan 0.000 0.442 17 L N -1.274 120.019 121.223 0.116 0.000 2.042 17 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 17 L C 2.183 179.092 176.870 0.066 0.000 1.076 17 L CA 2.418 57.300 54.840 0.071 0.000 0.749 17 L CB -0.830 41.242 42.059 0.022 0.000 0.893 17 L HN 0.431 nan 8.230 nan 0.000 0.432 18 F N -0.535 119.417 119.950 0.003 0.000 2.102 18 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 18 F C 2.773 178.580 175.800 0.012 0.000 1.105 18 F CA 1.875 59.867 58.000 -0.012 0.000 1.239 18 F CB -0.649 38.348 39.000 -0.006 0.000 0.991 18 F HN 0.213 nan 8.300 nan 0.000 0.474 19 S N -0.007 115.785 115.700 0.153 0.000 2.359 19 S HA -0.220 4.249 4.470 -0.000 0.000 0.224 19 S C 1.847 176.431 174.600 -0.026 0.000 1.035 19 S CA 1.834 60.070 58.200 0.060 0.000 1.018 19 S CB -0.638 62.639 63.200 0.128 0.000 0.876 19 S HN 0.492 nan 8.310 nan 0.000 0.448 20 D N 1.304 121.736 120.400 0.053 0.000 2.097 20 D HA -0.041 4.599 4.640 -0.000 0.000 0.195 20 D C 2.277 178.481 176.300 -0.161 0.000 0.989 20 D CA 1.394 55.463 54.000 0.114 0.000 0.827 20 D CB -0.747 40.238 40.800 0.308 0.000 0.966 20 D HN 0.479 nan 8.370 nan 0.000 0.456 21 A N 0.864 123.568 122.820 -0.193 0.000 1.883 21 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 21 A C 2.174 179.651 177.584 -0.178 0.000 1.186 21 A CA 1.211 53.124 52.037 -0.206 0.000 0.624 21 A CB -0.782 18.116 19.000 -0.170 0.000 0.822 21 A HN 0.243 nan 8.150 nan 0.000 0.444 22 L N -0.364 120.654 121.223 -0.342 0.000 2.056 22 L HA -0.020 4.319 4.340 -0.000 0.000 0.207 22 L C 2.690 179.342 176.870 -0.364 0.000 1.078 22 L CA 2.066 56.566 54.840 -0.567 0.000 0.749 22 L CB -0.965 40.634 42.059 -0.767 0.000 0.901 22 L HN 0.363 nan 8.230 nan 0.000 0.433 23 A N 0.280 122.953 122.820 -0.246 0.000 1.877 23 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 23 A C 2.249 179.718 177.584 -0.191 0.000 1.186 23 A CA 2.186 54.127 52.037 -0.160 0.000 0.620 23 A CB -1.030 17.935 19.000 -0.057 0.000 0.822 23 A HN 0.661 nan 8.150 nan 0.000 0.443 24 I N -3.307 117.077 120.570 -0.310 0.000 2.439 24 I HA -0.070 4.100 4.170 -0.000 0.000 0.251 24 I C 2.296 178.292 176.117 -0.202 0.000 1.139 24 I CA 1.773 62.876 61.300 -0.328 0.000 1.438 24 I CB -0.470 37.164 38.000 -0.610 0.000 1.085 24 I HN 0.229 nan 8.210 nan 0.000 0.427 25 S N 1.219 116.804 115.700 -0.192 0.000 2.356 25 S HA -0.182 4.287 4.470 -0.000 0.000 0.223 25 S C 2.018 176.556 174.600 -0.104 0.000 1.032 25 S CA 2.428 60.555 58.200 -0.121 0.000 1.005 25 S CB -0.682 62.482 63.200 -0.060 0.000 0.867 25 S HN 0.641 nan 8.310 nan 0.000 0.449 26 T N 0.477 114.950 114.554 -0.136 0.000 2.746 26 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 26 T C 1.471 176.155 174.700 -0.027 0.000 1.039 26 T CA 1.511 63.568 62.100 -0.072 0.000 1.142 26 T CB -0.583 68.215 68.868 -0.116 0.000 0.866 26 T HN 0.617 nan 8.240 nan 0.000 0.444 27 Y N 2.290 122.474 120.300 -0.195 0.000 2.207 27 Y HA -0.069 4.481 4.550 -0.000 0.000 0.287 27 Y C 2.422 178.064 175.900 -0.431 0.000 1.156 27 Y CA 0.669 58.601 58.100 -0.281 0.000 1.182 27 Y CB -0.725 37.573 38.460 -0.269 0.000 0.979 27 Y HN 0.188 nan 8.280 nan 0.000 0.521 28 A N -1.023 121.542 122.820 -0.424 0.000 2.076 28 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 28 A C 1.599 178.924 177.584 -0.432 0.000 1.160 28 A CA 1.538 53.274 52.037 -0.501 0.000 0.653 28 A CB -1.228 17.561 19.000 -0.352 0.000 0.801 28 A HN 0.648 nan 8.150 nan 0.000 0.455 29 Y N -1.303 118.831 120.300 -0.277 0.000 2.511 29 Y HA 0.051 4.601 4.550 -0.000 0.000 0.279 29 Y C 0.653 176.510 175.900 -0.071 0.000 1.157 29 Y CA 0.374 58.398 58.100 -0.128 0.000 1.300 29 Y CB -0.166 38.214 38.460 -0.133 0.000 1.052 29 Y HN 0.543 nan 8.280 nan 0.000 0.529 30 H N 0.352 119.339 119.070 -0.137 0.000 2.655 30 H HA -0.246 4.310 4.556 -0.000 0.000 0.313 30 H C 0.270 175.580 175.328 -0.030 0.000 1.141 30 H CA 0.782 56.742 56.048 -0.147 0.000 1.138 30 H CB -1.501 28.154 29.762 -0.177 0.000 1.446 30 H HN 0.439 nan 8.280 nan 0.000 0.415 31 N N -0.979 117.753 118.700 0.054 0.000 2.741 31 N HA -0.207 4.533 4.740 -0.000 0.000 0.250 31 N C 1.199 176.738 175.510 0.048 0.000 1.115 31 N CA 0.914 53.989 53.050 0.041 0.000 0.724 31 N CB -1.133 37.377 38.487 0.039 0.000 1.090 31 N HN 0.570 nan 8.380 nan 0.000 0.558 32 I N 1.320 121.935 120.570 0.075 0.000 2.454 32 I HA -0.201 3.968 4.170 -0.000 0.000 0.254 32 I C 1.490 177.642 176.117 0.058 0.000 1.156 32 I CA 1.854 63.200 61.300 0.077 0.000 1.433 32 I CB 0.058 38.132 38.000 0.123 0.000 1.082 32 I HN 0.217 nan 8.210 nan 0.000 0.432 33 D N -1.288 119.126 120.400 0.024 0.000 2.358 33 D HA -0.085 4.555 4.640 -0.000 0.000 0.224 33 D C 1.398 177.710 176.300 0.019 0.000 1.123 33 D CA -0.008 54.029 54.000 0.061 0.000 0.833 33 D CB -1.409 39.419 40.800 0.048 0.000 0.946 33 D HN 0.480 nan 8.370 nan 0.000 0.505 34 N N 1.007 119.703 118.700 -0.005 0.000 2.069 34 N HA -0.163 4.577 4.740 -0.000 0.000 0.191 34 N C 1.904 177.384 175.510 -0.050 0.000 1.031 34 N CA 1.596 54.616 53.050 -0.049 0.000 0.852 34 N CB -0.192 38.284 38.487 -0.017 0.000 1.018 34 N HN 0.282 nan 8.380 nan 0.000 0.423 35 G N 0.054 108.859 108.800 0.008 0.000 2.418 35 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 35 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 35 G C 1.351 176.259 174.900 0.013 0.000 1.158 35 G CA 0.247 45.355 45.100 0.012 0.000 0.771 35 G HN 0.384 nan 8.290 nan 0.000 0.545 36 F N 1.233 121.144 119.950 -0.066 0.000 2.134 36 F HA -0.098 4.429 4.527 -0.000 0.000 0.299 36 F C 2.474 178.132 175.800 -0.236 0.000 1.097 36 F CA 1.573 59.548 58.000 -0.041 0.000 1.264 36 F CB 0.093 39.132 39.000 0.065 0.000 1.001 36 F HN 0.144 nan 8.300 nan 0.000 0.479 37 D N 0.484 120.653 120.400 -0.385 0.000 2.106 37 D HA -0.276 4.364 4.640 -0.000 0.000 0.191 37 D C 2.097 178.320 176.300 -0.128 0.000 0.997 37 D CA 1.817 55.286 54.000 -0.884 0.000 0.834 37 D CB -0.379 39.858 40.800 -0.939 0.000 0.956 37 D HN 0.518 nan 8.370 nan 0.000 0.448 38 E N -0.618 119.539 120.200 -0.071 0.000 2.031 38 E HA -0.130 4.219 4.350 -0.000 0.000 0.193 38 E C 2.139 178.766 176.600 0.044 0.000 0.994 38 E CA 1.295 57.705 56.400 0.016 0.000 0.800 38 E CB -0.489 29.207 29.700 -0.007 0.000 0.752 38 E HN 0.350 nan 8.360 nan 0.000 0.447 39 G N 0.195 108.994 108.800 -0.003 0.000 2.459 39 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.217 39 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.217 39 G C 1.417 176.332 174.900 0.026 0.000 1.183 39 G CA 1.086 46.169 45.100 -0.029 0.000 0.776 39 G HN 0.443 nan 8.290 nan 0.000 0.552 40 Y N 1.373 121.651 120.300 -0.036 0.000 2.114 40 Y HA -0.252 4.297 4.550 -0.000 0.000 0.282 40 Y C 2.785 178.697 175.900 0.020 0.000 1.165 40 Y CA 2.451 60.592 58.100 0.067 0.000 1.148 40 Y CB -0.620 37.973 38.460 0.221 0.000 0.972 40 Y HN 0.435 nan 8.280 nan 0.000 0.504 41 H N -0.674 118.389 119.070 -0.012 0.000 2.423 41 H HA -0.099 4.457 4.556 -0.000 0.000 0.297 41 H C 2.187 177.454 175.328 -0.101 0.000 1.075 41 H CA 1.821 57.806 56.048 -0.105 0.000 1.342 41 H CB 0.011 29.791 29.762 0.030 0.000 1.395 41 H HN 0.491 nan 8.280 nan 0.000 0.530 42 Q N -0.536 119.291 119.800 0.044 0.000 2.096 42 Q HA -0.040 4.300 4.340 -0.000 0.000 0.197 42 Q C 1.561 177.555 176.000 -0.009 0.000 0.964 42 Q CA 1.755 57.569 55.803 0.018 0.000 0.838 42 Q CB 0.418 29.168 28.738 0.019 0.000 0.906 42 Q HN 0.554 nan 8.270 nan 0.000 0.444 43 T N -3.777 110.765 114.554 -0.020 0.000 3.003 43 T HA 0.453 4.803 4.350 -0.000 0.000 0.261 43 T C 0.884 175.590 174.700 0.011 0.000 1.003 43 T CA 0.157 62.255 62.100 -0.004 0.000 0.917 43 T CB 0.951 69.822 68.868 0.004 0.000 1.084 43 T HN 0.436 nan 8.240 nan 0.000 0.522 44 G N 1.684 110.459 108.800 -0.041 0.000 2.553 44 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.242 44 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.242 44 G C -0.296 174.806 174.900 0.337 0.000 1.277 44 G CA 0.004 45.108 45.100 0.008 0.000 0.910 44 G HN 0.428 nan 8.290 nan 0.000 0.576 45 F N 2.095 122.184 119.950 0.233 0.000 2.859 45 F HA 0.535 5.062 4.527 -0.000 0.000 0.324 45 F C 1.318 177.419 175.800 0.503 0.000 1.158 45 F CA 0.992 59.223 58.000 0.385 0.000 1.147 45 F CB 0.427 39.687 39.000 0.434 0.000 1.137 45 F HN 0.837 nan 8.300 nan 0.000 0.516 46 G N 0.067 109.075 108.800 0.348 0.000 3.434 46 G HA2 0.172 4.132 3.960 -0.000 0.000 0.197 46 G HA3 0.172 4.132 3.960 -0.000 0.000 0.197 46 G C 1.038 175.992 174.900 0.089 0.000 1.559 46 G CA -0.223 45.010 45.100 0.221 0.000 0.852 46 G HN 0.050 nan 8.290 nan 0.000 0.682 47 L N 1.104 122.354 121.223 0.046 0.000 2.261 47 L HA 0.012 4.352 4.340 -0.000 0.000 0.216 47 L C 2.659 179.543 176.870 0.023 0.000 1.114 47 L CA 1.092 55.941 54.840 0.015 0.000 0.777 47 L CB -0.316 41.747 42.059 0.006 0.000 0.910 47 L HN 0.504 nan 8.230 nan 0.000 0.440 48 G N -0.892 107.935 108.800 0.045 0.000 2.985 48 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.209 48 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.209 48 G C 1.394 176.315 174.900 0.036 0.000 1.165 48 G CA -0.256 44.865 45.100 0.035 0.000 0.776 48 G HN 0.141 nan 8.290 nan 0.000 0.541 49 L N 1.691 122.939 121.223 0.041 0.000 2.043 49 L HA 0.023 4.363 4.340 -0.000 0.000 0.212 49 L C 0.008 176.868 176.870 -0.015 0.000 1.075 49 L CA 1.982 56.825 54.840 0.005 0.000 0.752 49 L CB -0.949 41.071 42.059 -0.065 0.000 0.891 49 L HN 0.043 nan 8.230 nan 0.000 0.432 50 P HA -0.199 nan 4.420 nan 0.000 0.215 50 P C 2.141 179.429 177.300 -0.019 0.000 1.157 50 P CA 1.665 64.758 63.100 -0.012 0.000 0.874 50 P CB -0.090 31.606 31.700 -0.006 0.000 0.790 51 L N -1.560 119.654 121.223 -0.015 0.000 2.046 51 L HA -0.165 4.174 4.340 -0.000 0.000 0.208 51 L C 2.356 179.201 176.870 -0.043 0.000 1.077 51 L CA 1.895 56.723 54.840 -0.020 0.000 0.747 51 L CB -1.854 40.199 42.059 -0.010 0.000 0.896 51 L HN 0.038 nan 8.230 nan 0.000 0.432 52 T N 0.629 115.152 114.554 -0.051 0.000 2.720 52 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 52 T C 2.006 176.562 174.700 -0.241 0.000 1.037 52 T CA 1.348 63.375 62.100 -0.122 0.000 1.144 52 T CB -0.266 68.572 68.868 -0.049 0.000 0.864 52 T HN 0.204 nan 8.240 nan 0.000 0.444 53 L N 0.043 121.167 121.223 -0.165 0.000 2.093 53 L HA 0.000 4.340 4.340 -0.000 0.000 0.208 53 L C 2.377 179.196 176.870 -0.085 0.000 1.085 53 L CA 1.063 55.816 54.840 -0.145 0.000 0.755 53 L CB -0.533 41.501 42.059 -0.043 0.000 0.904 53 L HN 0.290 nan 8.230 nan 0.000 0.435 54 I N -0.766 119.771 120.570 -0.054 0.000 2.286 54 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 54 I C 2.448 178.554 176.117 -0.018 0.000 1.104 54 I CA 1.272 62.561 61.300 -0.019 0.000 1.397 54 I CB -0.559 37.439 38.000 -0.004 0.000 1.072 54 I HN 0.182 nan 8.210 nan 0.000 0.417 55 T N 0.993 115.521 114.554 -0.042 0.000 2.788 55 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 55 T C 2.068 176.745 174.700 -0.038 0.000 1.044 55 T CA 1.381 63.464 62.100 -0.030 0.000 1.139 55 T CB -0.305 68.538 68.868 -0.041 0.000 0.867 55 T HN 0.479 nan 8.240 nan 0.000 0.454 56 A N 1.026 123.784 122.820 -0.104 0.000 1.972 56 A HA 0.019 4.339 4.320 -0.000 0.000 0.219 56 A C 2.236 179.849 177.584 0.048 0.000 1.169 56 A CA 1.152 53.166 52.037 -0.039 0.000 0.635 56 A CB -0.636 18.284 19.000 -0.134 0.000 0.810 56 A HN 0.503 nan 8.150 nan 0.000 0.446 57 L N -1.049 120.192 121.223 0.030 0.000 2.127 57 L HA 0.088 4.428 4.340 -0.000 0.000 0.203 57 L C 2.104 179.000 176.870 0.043 0.000 1.080 57 L CA 1.356 56.224 54.840 0.046 0.000 0.768 57 L CB -0.255 41.829 42.059 0.041 0.000 0.924 57 L HN 0.624 nan 8.230 nan 0.000 0.444 58 I N -4.239 116.360 120.570 0.049 0.000 4.240 58 I HA 0.491 4.661 4.170 -0.000 0.000 0.331 58 I C 1.113 177.282 176.117 0.087 0.000 1.381 58 I CA 0.018 61.360 61.300 0.070 0.000 1.136 58 I CB 0.089 38.158 38.000 0.116 0.000 1.137 58 I HN 0.171 nan 8.210 nan 0.000 0.411 59 G N 2.750 111.586 108.800 0.061 0.000 2.582 59 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.288 59 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.288 59 G C -0.020 174.942 174.900 0.105 0.000 1.247 59 G CA 0.914 46.051 45.100 0.062 0.000 0.972 59 G HN 1.130 nan 8.290 nan 0.000 0.557 60 S N -4.127 111.648 115.700 0.124 0.000 2.873 60 S HA 0.657 5.126 4.470 -0.000 0.000 0.303 60 S C 1.182 175.900 174.600 0.197 0.000 1.222 60 S CA 0.934 59.227 58.200 0.155 0.000 0.923 60 S CB 0.806 64.053 63.200 0.079 0.000 1.286 60 S HN 2.291 nan 8.310 nan 0.000 0.571 61 T N -1.089 113.560 114.554 0.159 0.000 3.072 61 T HA 0.102 4.452 4.350 -0.000 0.000 0.266 61 T C 1.092 175.842 174.700 0.084 0.000 1.127 61 T CA 1.075 63.261 62.100 0.143 0.000 1.107 61 T CB -0.516 68.414 68.868 0.103 0.000 0.910 61 T HN 0.601 nan 8.240 nan 0.000 0.513 62 Q N 0.832 120.669 119.800 0.061 0.000 2.280 62 Q HA 0.279 4.619 4.340 -0.000 0.000 0.228 62 Q C 0.451 176.465 176.000 0.023 0.000 0.857 62 Q CA 0.003 55.826 55.803 0.034 0.000 0.939 62 Q CB 0.845 29.596 28.738 0.021 0.000 1.114 62 Q HN 0.655 nan 8.270 nan 0.000 0.514 63 S N -0.578 115.140 115.700 0.030 0.000 2.579 63 S HA 0.412 4.882 4.470 -0.000 0.000 0.272 63 S C -1.316 173.296 174.600 0.019 0.000 1.141 63 S CA -0.920 57.288 58.200 0.014 0.000 0.843 63 S CB 2.304 65.504 63.200 0.001 0.000 1.122 63 S HN 0.098 nan 8.310 nan 0.000 0.468 64 Q N 0.799 120.603 119.800 0.006 0.000 2.322 64 Q HA 0.592 4.931 4.340 -0.000 0.000 0.265 64 Q C 0.331 176.338 176.000 0.011 0.000 0.985 64 Q CA -0.665 55.138 55.803 -0.001 0.000 0.849 64 Q CB 1.329 30.058 28.738 -0.014 0.000 1.274 64 Q HN 0.994 nan 8.270 nan 0.000 0.449 65 G N 1.407 110.216 108.800 0.015 0.000 2.494 65 G HA2 0.282 4.242 3.960 -0.000 0.000 0.270 65 G HA3 0.282 4.242 3.960 -0.000 0.000 0.270 65 G C 0.710 175.632 174.900 0.036 0.000 1.423 65 G CA -0.067 45.053 45.100 0.035 0.000 1.055 65 G HN 0.799 nan 8.290 nan 0.000 0.536 66 G N -1.045 107.788 108.800 0.054 0.000 2.432 66 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.219 66 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.219 66 G C 0.762 175.678 174.900 0.027 0.000 1.135 66 G CA 0.401 45.532 45.100 0.053 0.000 0.767 66 G HN 0.397 nan 8.290 nan 0.000 0.550 67 L N 2.652 123.883 121.223 0.013 0.000 2.367 67 L HA 0.397 4.737 4.340 -0.000 0.000 0.275 67 L C -1.721 175.126 176.870 -0.040 0.000 1.129 67 L CA -1.933 52.902 54.840 -0.008 0.000 0.839 67 L CB 1.117 43.171 42.059 -0.009 0.000 1.133 67 L HN -0.042 nan 8.230 nan 0.000 0.453 68 P HA 0.340 nan 4.420 nan 0.000 0.280 68 P C 0.169 177.405 177.300 -0.106 0.000 1.272 68 P CA 0.060 63.120 63.100 -0.068 0.000 0.819 68 P CB 1.270 32.942 31.700 -0.046 0.000 1.122 69 G N -0.435 108.286 108.800 -0.132 0.000 2.157 69 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.248 69 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.248 69 G C -0.185 174.553 174.900 -0.270 0.000 0.979 69 G CA -0.121 44.885 45.100 -0.156 0.000 0.650 69 G HN 0.450 nan 8.290 nan 0.000 0.529 70 L N 1.282 122.260 121.223 -0.408 0.000 2.260 70 L HA 0.321 4.661 4.340 -0.000 0.000 0.289 70 L C -0.486 175.908 176.870 -0.794 0.000 1.057 70 L CA -1.945 52.388 54.840 -0.845 0.000 0.811 70 L CB 1.265 42.664 42.059 -1.101 0.000 1.184 70 L HN -0.071 nan 8.230 nan 0.000 0.429 71 P HA -0.144 nan 4.420 nan 0.000 0.226 71 P C 0.924 178.165 177.300 -0.098 0.000 1.153 71 P CA 1.043 64.003 63.100 -0.233 0.000 0.777 71 P CB 0.004 31.676 31.700 -0.047 0.000 0.794 72 W N -0.122 121.180 121.300 0.003 0.000 3.139 72 W HA 0.255 4.915 4.660 -0.000 0.000 0.260 72 W C 0.146 176.667 176.519 0.003 0.000 1.312 72 W CA -0.652 56.695 57.345 0.002 0.000 1.606 72 W CB -1.914 27.547 29.460 0.001 0.000 1.118 72 W HN -0.219 nan 8.180 nan 0.000 0.675 73 N N 3.495 122.081 118.700 -0.191 0.000 2.508 73 N HA 0.136 4.875 4.740 -0.000 0.000 0.264 73 N C -2.071 173.421 175.510 -0.029 0.000 1.216 73 N CA -1.459 51.547 53.050 -0.074 0.000 0.943 73 N CB 0.507 38.901 38.487 -0.155 0.000 1.113 73 N HN -0.208 nan 8.380 nan 0.000 0.447 74 P HA -0.008 nan 4.420 nan 0.000 0.274 74 P C -0.917 176.376 177.300 -0.011 0.000 1.246 74 P CA -0.093 63.010 63.100 0.004 0.000 0.795 74 P CB 0.575 32.284 31.700 0.015 0.000 1.006 75 D N 0.665 121.063 120.400 -0.004 0.000 2.470 75 D HA 0.023 4.662 4.640 -0.000 0.000 0.226 75 D C 1.267 177.575 176.300 0.014 0.000 1.196 75 D CA 0.023 54.022 54.000 -0.002 0.000 0.979 75 D CB -0.069 40.733 40.800 0.003 0.000 1.059 75 D HN 0.216 nan 8.370 nan 0.000 0.515 76 S N 2.410 118.118 115.700 0.013 0.000 2.453 76 S HA -0.106 4.364 4.470 -0.000 0.000 0.231 76 S C 1.417 176.048 174.600 0.051 0.000 1.005 76 S CA 0.526 58.741 58.200 0.026 0.000 0.949 76 S CB -0.077 63.135 63.200 0.019 0.000 0.774 76 S HN 0.493 nan 8.310 nan 0.000 0.510 77 E N 0.806 121.039 120.200 0.056 0.000 2.107 77 E HA -0.144 4.205 4.350 -0.000 0.000 0.191 77 E C 2.175 178.846 176.600 0.118 0.000 0.982 77 E CA 1.090 57.550 56.400 0.100 0.000 0.809 77 E CB -0.193 29.552 29.700 0.075 0.000 0.756 77 E HN 0.577 nan 8.360 nan 0.000 0.459 78 Q N 1.199 121.045 119.800 0.077 0.000 2.084 78 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 78 Q C 1.934 177.978 176.000 0.072 0.000 0.978 78 Q CA 1.905 57.751 55.803 0.072 0.000 0.844 78 Q CB -0.322 28.441 28.738 0.043 0.000 0.898 78 Q HN 0.224 nan 8.270 nan 0.000 0.426 79 A N 0.271 123.127 122.820 0.060 0.000 1.933 79 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 79 A C 2.299 179.926 177.584 0.072 0.000 1.175 79 A CA 1.771 53.839 52.037 0.051 0.000 0.628 79 A CB -1.138 17.883 19.000 0.035 0.000 0.814 79 A HN 0.541 nan 8.150 nan 0.000 0.444 80 A N -0.724 122.157 122.820 0.102 0.000 1.902 80 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 80 A C 2.209 179.931 177.584 0.230 0.000 1.181 80 A CA 1.814 53.941 52.037 0.150 0.000 0.623 80 A CB -0.584 18.491 19.000 0.125 0.000 0.818 80 A HN 0.666 nan 8.150 nan 0.000 0.443 81 Q N -0.338 119.605 119.800 0.239 0.000 2.079 81 Q HA -0.217 4.123 4.340 -0.000 0.000 0.200 81 Q C 1.890 177.907 176.000 0.028 0.000 0.974 81 Q CA 1.732 57.630 55.803 0.159 0.000 0.840 81 Q CB -0.168 28.671 28.738 0.169 0.000 0.898 81 Q HN 0.781 nan 8.270 nan 0.000 0.430 82 E N 0.128 120.354 120.200 0.043 0.000 2.085 82 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 82 E C 1.936 178.540 176.600 0.007 0.000 0.994 82 E CA 1.006 57.417 56.400 0.018 0.000 0.801 82 E CB -0.161 29.553 29.700 0.023 0.000 0.743 82 E HN 0.486 nan 8.360 nan 0.000 0.453 83 A N 0.923 123.755 122.820 0.020 0.000 1.877 83 A HA -0.144 4.175 4.320 -0.000 0.000 0.216 83 A C 2.441 180.022 177.584 -0.005 0.000 1.186 83 A CA 1.288 53.334 52.037 0.015 0.000 0.620 83 A CB -0.766 18.251 19.000 0.029 0.000 0.822 83 A HN 0.206 nan 8.150 nan 0.000 0.443 84 V N 0.671 120.553 119.914 -0.053 0.000 2.453 84 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 84 V C 2.038 178.105 176.094 -0.045 0.000 1.048 84 V CA 2.369 64.599 62.300 -0.117 0.000 1.049 84 V CB -0.891 30.654 31.823 -0.463 0.000 0.672 84 V HN 0.688 nan 8.190 nan 0.000 0.457 85 N N 0.414 119.071 118.700 -0.071 0.000 2.120 85 N HA -0.169 4.571 4.740 -0.000 0.000 0.188 85 N C 1.467 176.966 175.510 -0.017 0.000 1.024 85 N CA 1.480 54.510 53.050 -0.034 0.000 0.852 85 N CB -0.197 38.269 38.487 -0.036 0.000 1.003 85 N HN 0.447 nan 8.380 nan 0.000 0.424 86 N N 0.955 119.648 118.700 -0.011 0.000 2.381 86 N HA -0.045 4.694 4.740 -0.000 0.000 0.182 86 N C 1.235 176.743 175.510 -0.003 0.000 1.025 86 N CA 0.496 53.541 53.050 -0.009 0.000 0.888 86 N CB -0.215 38.271 38.487 -0.002 0.000 0.965 86 N HN 0.224 nan 8.380 nan 0.000 0.438 87 A N -0.363 122.474 122.820 0.029 0.000 2.206 87 A HA 0.364 4.684 4.320 -0.000 0.000 0.211 87 A C 1.495 179.074 177.584 -0.008 0.000 1.158 87 A CA 1.011 53.090 52.037 0.071 0.000 0.761 87 A CB -0.256 18.845 19.000 0.170 0.000 0.801 87 A HN 0.322 nan 8.150 nan 0.000 0.473 88 G N -3.451 105.292 108.800 -0.095 0.000 2.168 88 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.197 88 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.197 88 G C -0.351 174.281 174.900 -0.448 0.000 0.997 88 G CA -0.196 44.721 45.100 -0.304 0.000 0.658 88 G HN 0.408 nan 8.290 nan 0.000 0.513 89 W N 1.412 122.668 121.300 -0.072 0.000 2.656 89 W HA 0.675 5.335 4.660 -0.000 0.000 0.327 89 W C 0.382 176.838 176.519 -0.106 0.000 1.041 89 W CA -0.266 57.023 57.345 -0.092 0.000 1.229 89 W CB 2.077 31.442 29.460 -0.158 0.000 1.397 89 W HN 0.547 nan 8.180 nan 0.000 0.479 90 S N 0.706 116.532 115.700 0.210 0.000 2.536 90 S HA 0.682 5.152 4.470 -0.000 0.000 0.287 90 S C -0.845 173.829 174.600 0.124 0.000 1.101 90 S CA -0.984 57.281 58.200 0.108 0.000 0.950 90 S CB 1.256 64.510 63.200 0.091 0.000 1.056 90 S HN 0.217 nan 8.310 nan 0.000 0.481 91 V N 2.784 122.734 119.914 0.060 0.000 2.763 91 V HA 0.150 4.270 4.120 -0.000 0.000 0.306 91 V C 0.177 176.328 176.094 0.094 0.000 1.059 91 V CA 0.109 62.459 62.300 0.084 0.000 1.138 91 V CB 0.011 31.895 31.823 0.101 0.000 0.940 91 V HN 0.787 nan 8.190 nan 0.000 0.489 92 I N 4.276 124.896 120.570 0.082 0.000 2.359 92 I HA 0.310 4.479 4.170 -0.000 0.000 0.294 92 I C 0.668 176.820 176.117 0.058 0.000 0.987 92 I CA -0.028 61.289 61.300 0.028 0.000 1.225 92 I CB 1.785 39.721 38.000 -0.107 0.000 1.366 92 I HN 0.788 nan 8.210 nan 0.000 0.466 93 S N 4.620 120.337 115.700 0.028 0.000 2.603 93 S HA 0.398 4.868 4.470 -0.000 0.000 0.268 93 S C 1.142 175.802 174.600 0.100 0.000 1.317 93 S CA -0.166 58.064 58.200 0.050 0.000 1.012 93 S CB 1.700 64.917 63.200 0.029 0.000 0.926 93 S HN 0.731 nan 8.310 nan 0.000 0.539 94 A N 1.856 124.757 122.820 0.136 0.000 1.972 94 A HA -0.001 4.318 4.320 -0.000 0.000 0.219 94 A C 2.208 179.886 177.584 0.158 0.000 1.169 94 A CA 1.988 54.176 52.037 0.252 0.000 0.635 94 A CB -1.818 17.338 19.000 0.261 0.000 0.810 94 A HN 0.897 nan 8.150 nan 0.000 0.446 95 T N 0.233 114.842 114.554 0.092 0.000 2.746 95 T HA -0.197 4.152 4.350 -0.000 0.000 0.267 95 T C 2.038 176.783 174.700 0.074 0.000 1.039 95 T CA 1.804 63.949 62.100 0.074 0.000 1.142 95 T CB -0.292 68.609 68.868 0.055 0.000 0.866 95 T HN 0.658 nan 8.240 nan 0.000 0.444 96 Q N 0.391 120.218 119.800 0.044 0.000 2.124 96 Q HA 0.029 4.369 4.340 -0.000 0.000 0.202 96 Q C 2.275 178.258 176.000 -0.027 0.000 0.977 96 Q CA 1.061 56.886 55.803 0.035 0.000 0.850 96 Q CB -0.336 28.377 28.738 -0.042 0.000 0.901 96 Q HN 0.472 nan 8.270 nan 0.000 0.429 97 L N -0.724 120.429 121.223 -0.117 0.000 2.395 97 L HA 0.077 4.417 4.340 -0.000 0.000 0.218 97 L C 1.181 178.105 176.870 0.089 0.000 1.130 97 L CA 0.441 55.218 54.840 -0.105 0.000 0.826 97 L CB -0.363 41.609 42.059 -0.145 0.000 0.941 97 L HN 0.431 nan 8.230 nan 0.000 0.451 98 G N -0.206 108.666 108.800 0.120 0.000 2.221 98 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.265 98 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.265 98 G C -0.038 174.964 174.900 0.171 0.000 1.041 98 G CA -0.008 45.169 45.100 0.129 0.000 0.807 98 G HN 0.331 nan 8.290 nan 0.000 0.502 99 Y N 0.318 120.657 120.300 0.064 0.000 2.335 99 Y HA 0.507 5.057 4.550 -0.000 0.000 0.331 99 Y C 1.068 177.022 175.900 0.092 0.000 1.094 99 Y CA -0.476 57.678 58.100 0.091 0.000 1.253 99 Y CB 1.252 39.804 38.460 0.153 0.000 1.203 99 Y HN 0.324 nan 8.280 nan 0.000 0.508 100 A N 4.591 127.153 122.820 -0.430 0.000 2.308 100 A HA 0.359 4.679 4.320 -0.000 0.000 0.217 100 A C 1.141 178.421 177.584 -0.506 0.000 1.216 100 A CA 0.474 52.303 52.037 -0.347 0.000 0.864 100 A CB -0.795 18.090 19.000 -0.191 0.000 0.902 100 A HN 0.894 nan 8.150 nan 0.000 0.499 101 G N -0.250 107.873 108.800 -1.129 0.000 2.574 101 G HA2 0.400 4.359 3.960 -0.000 0.000 0.248 101 G HA3 0.400 4.359 3.960 -0.000 0.000 0.248 101 G C -0.143 174.699 174.900 -0.096 0.000 1.422 101 G CA -0.610 44.118 45.100 -0.620 0.000 1.051 101 G HN 0.338 nan 8.290 nan 0.000 0.560 102 K N -0.189 120.308 120.400 0.162 0.000 2.183 102 K HA 0.514 4.834 4.320 -0.000 0.000 0.274 102 K C -0.497 176.234 176.600 0.219 0.000 1.009 102 K CA -0.355 56.002 56.287 0.117 0.000 0.888 102 K CB 0.908 33.420 32.500 0.021 0.000 1.078 102 K HN 0.628 nan 8.250 nan 0.000 0.459 103 T N 0.138 114.720 114.554 0.046 0.000 2.906 103 T HA 0.373 4.723 4.350 -0.000 0.000 0.295 103 T C -0.628 174.034 174.700 -0.063 0.000 1.075 103 T CA -0.983 61.113 62.100 -0.005 0.000 1.005 103 T CB 1.496 70.232 68.868 -0.219 0.000 1.136 103 T HN 0.666 nan 8.240 nan 0.000 0.498 104 D N 0.399 120.815 120.400 0.028 0.000 2.549 104 D HA 0.587 5.227 4.640 -0.000 0.000 0.270 104 D C 1.494 177.776 176.300 -0.029 0.000 1.181 104 D CA -0.566 53.426 54.000 -0.013 0.000 1.070 104 D CB 0.372 41.230 40.800 0.096 0.000 1.154 104 D HN 0.671 nan 8.370 nan 0.000 0.602 105 A N -0.735 122.067 122.820 -0.031 0.000 2.121 105 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 105 A C 1.936 179.507 177.584 -0.021 0.000 1.154 105 A CA 0.863 52.882 52.037 -0.030 0.000 0.679 105 A CB -0.591 18.392 19.000 -0.029 0.000 0.795 105 A HN 0.481 nan 8.150 nan 0.000 0.458 106 R N -1.542 118.944 120.500 -0.024 0.000 2.317 106 R HA 0.243 4.583 4.340 -0.000 0.000 0.208 106 R C 1.228 177.543 176.300 0.024 0.000 0.914 106 R CA 0.602 56.700 56.100 -0.003 0.000 1.060 106 R CB 0.081 30.340 30.300 -0.068 0.000 1.015 106 R HN 0.622 nan 8.270 nan 0.000 0.498 107 G N 0.393 109.176 108.800 -0.030 0.000 2.157 107 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.248 107 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.248 107 G C 0.195 174.985 174.900 -0.183 0.000 0.979 107 G CA 0.172 45.212 45.100 -0.101 0.000 0.650 107 G HN 0.298 nan 8.290 nan 0.000 0.529 108 T N 0.808 115.323 114.554 -0.065 0.000 2.919 108 T HA 0.471 4.820 4.350 -0.000 0.000 0.302 108 T C 0.042 174.723 174.700 -0.032 0.000 1.031 108 T CA 0.284 62.369 62.100 -0.025 0.000 1.127 108 T CB 0.756 69.603 68.868 -0.035 0.000 0.952 108 T HN 0.219 nan 8.240 nan 0.000 0.540 109 Y N 1.291 121.631 120.300 0.067 0.000 2.310 109 Y HA 0.428 4.978 4.550 -0.000 0.000 0.326 109 Y C 0.038 176.139 175.900 0.337 0.000 1.151 109 Y CA -0.678 57.545 58.100 0.204 0.000 1.195 109 Y CB 0.767 39.202 38.460 -0.042 0.000 1.210 109 Y HN 0.583 nan 8.280 nan 0.000 0.483 110 Y N 0.260 120.846 120.300 0.476 0.000 2.446 110 Y HA 0.505 5.055 4.550 -0.000 0.000 0.338 110 Y C 0.860 176.934 175.900 0.289 0.000 1.055 110 Y CA -1.405 56.924 58.100 0.381 0.000 1.101 110 Y CB 1.497 40.074 38.460 0.195 0.000 1.221 110 Y HN 0.770 nan 8.280 nan 0.000 0.460 111 G N 1.194 110.045 108.800 0.084 0.000 2.391 111 G HA2 0.021 3.980 3.960 -0.000 0.000 0.234 111 G HA3 0.021 3.980 3.960 -0.000 0.000 0.234 111 G C 0.136 174.978 174.900 -0.097 0.000 1.284 111 G CA -0.220 44.651 45.100 -0.382 0.000 0.873 111 G HN 0.911 nan 8.290 nan 0.000 0.549 112 E N 0.037 120.133 120.200 -0.174 0.000 2.307 112 E HA 0.034 4.384 4.350 -0.000 0.000 0.195 112 E C 0.699 177.287 176.600 -0.019 0.000 0.975 112 E CA 0.517 56.901 56.400 -0.025 0.000 0.878 112 E CB 0.426 30.130 29.700 0.007 0.000 0.845 112 E HN 0.430 nan 8.360 nan 0.000 0.488 113 T N 1.182 115.710 114.554 -0.043 0.000 2.902 113 T HA 0.488 4.838 4.350 -0.000 0.000 0.283 113 T C -0.173 174.613 174.700 0.142 0.000 1.009 113 T CA -0.645 61.469 62.100 0.025 0.000 1.051 113 T CB 1.570 70.400 68.868 -0.062 0.000 0.999 113 T HN 0.130 nan 8.240 nan 0.000 0.474 114 A N 1.366 124.253 122.820 0.112 0.000 2.567 114 A HA 0.474 4.794 4.320 -0.000 0.000 0.240 114 A C 1.589 179.253 177.584 0.134 0.000 1.053 114 A CA 0.548 52.644 52.037 0.099 0.000 0.755 114 A CB -0.983 18.055 19.000 0.064 0.000 0.978 114 A HN 1.665 nan 8.150 nan 0.000 0.507 115 G N 0.728 109.544 108.800 0.027 0.000 2.195 115 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.246 115 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.246 115 G C 0.240 174.886 174.900 -0.423 0.000 0.984 115 G CA 0.893 45.894 45.100 -0.165 0.000 0.633 115 G HN 1.014 nan 8.290 nan 0.000 0.525 116 Y N 0.462 120.749 120.300 -0.020 0.000 2.675 116 Y HA 0.268 4.818 4.550 -0.000 0.000 0.248 116 Y C 2.321 178.169 175.900 -0.086 0.000 1.161 116 Y CA 0.661 58.706 58.100 -0.091 0.000 1.203 116 Y CB 0.451 38.747 38.460 -0.273 0.000 1.262 116 Y HN 0.331 nan 8.280 nan 0.000 0.544 117 T N -3.653 110.955 114.554 0.090 0.000 3.113 117 T HA -0.111 4.239 4.350 -0.000 0.000 0.263 117 T C 1.574 176.375 174.700 0.169 0.000 1.143 117 T CA 1.336 63.503 62.100 0.112 0.000 1.090 117 T CB -0.453 68.474 68.868 0.098 0.000 0.922 117 T HN 0.371 nan 8.240 nan 0.000 0.521 118 T N -1.127 113.508 114.554 0.135 0.000 3.086 118 T HA 0.613 4.963 4.350 -0.000 0.000 0.250 118 T C 0.804 175.583 174.700 0.132 0.000 1.074 118 T CA -0.113 62.076 62.100 0.147 0.000 0.988 118 T CB -0.214 68.726 68.868 0.119 0.000 0.988 118 T HN 0.529 nan 8.240 nan 0.000 0.530 119 A N 1.163 124.062 122.820 0.132 0.000 2.407 119 A HA 0.641 4.960 4.320 -0.000 0.000 0.248 119 A C -0.112 177.613 177.584 0.235 0.000 1.082 119 A CA -0.396 51.760 52.037 0.199 0.000 0.785 119 A CB 0.311 19.325 19.000 0.022 0.000 1.020 119 A HN 0.523 nan 8.150 nan 0.000 0.489 120 Q N -0.600 119.377 119.800 0.295 0.000 2.372 120 Q HA 0.704 5.044 4.340 -0.000 0.000 0.273 120 Q C -0.699 175.373 176.000 0.121 0.000 1.078 120 Q CA 0.027 55.904 55.803 0.123 0.000 0.806 120 Q CB 2.373 31.011 28.738 -0.166 0.000 1.332 120 Q HN 1.132 nan 8.270 nan 0.000 0.435 121 A N 1.695 124.437 122.820 -0.130 0.000 2.498 121 A HA 0.833 5.153 4.320 -0.000 0.000 0.298 121 A C -1.308 176.134 177.584 -0.236 0.000 1.075 121 A CA -0.739 51.045 52.037 -0.422 0.000 0.714 121 A CB 1.541 19.867 19.000 -1.124 0.000 1.299 121 A HN 0.541 nan 8.150 nan 0.000 0.407 122 E N 0.542 120.570 120.200 -0.286 0.000 2.212 122 E HA 0.545 4.894 4.350 -0.000 0.000 0.268 122 E C -1.309 175.145 176.600 -0.244 0.000 0.902 122 E CA -0.624 55.717 56.400 -0.097 0.000 0.779 122 E CB 2.194 31.895 29.700 0.001 0.000 1.172 122 E HN 0.325 nan 8.360 nan 0.000 0.409 123 V N 3.804 123.644 119.914 -0.124 0.000 2.444 123 V HA 0.439 4.559 4.120 -0.000 0.000 0.294 123 V C -0.427 175.620 176.094 -0.079 0.000 1.022 123 V CA -0.665 61.496 62.300 -0.232 0.000 0.850 123 V CB 1.046 32.632 31.823 -0.394 0.000 0.992 123 V HN 0.454 nan 8.190 nan 0.000 0.426 124 L N 3.606 124.779 121.223 -0.083 0.000 2.333 124 L HA 0.986 5.326 4.340 -0.000 0.000 0.263 124 L C 0.464 177.464 176.870 0.217 0.000 1.014 124 L CA -0.237 54.644 54.840 0.068 0.000 0.820 124 L CB 2.113 44.201 42.059 0.049 0.000 1.352 124 L HN 0.711 nan 8.230 nan 0.000 0.421 125 G N 0.031 108.992 108.800 0.269 0.000 2.481 125 G HA2 0.641 4.601 3.960 -0.000 0.000 0.315 125 G HA3 0.641 4.601 3.960 -0.000 0.000 0.315 125 G C -1.781 173.017 174.900 -0.169 0.000 1.231 125 G CA -0.515 44.613 45.100 0.047 0.000 0.968 125 G HN 0.483 nan 8.290 nan 0.000 0.482 126 K N 0.501 120.533 120.400 -0.615 0.000 2.270 126 K HA 0.614 4.934 4.320 -0.000 0.000 0.255 126 K C -1.532 174.642 176.600 -0.710 0.000 0.936 126 K CA -0.724 55.112 56.287 -0.752 0.000 0.809 126 K CB 1.432 33.241 32.500 -1.151 0.000 1.131 126 K HN 0.522 nan 8.250 nan 0.000 0.427 127 Y N 1.204 121.366 120.300 -0.230 0.000 2.499 127 Y HA 0.172 4.722 4.550 -0.000 0.000 0.347 127 Y C 0.043 175.866 175.900 -0.127 0.000 0.987 127 Y CA -1.031 56.986 58.100 -0.139 0.000 1.044 127 Y CB 1.469 39.872 38.460 -0.094 0.000 1.245 127 Y HN 0.744 nan 8.280 nan 0.000 0.461 128 D N -0.464 119.969 120.400 0.056 0.000 2.423 128 D HA 0.216 4.856 4.640 -0.000 0.000 0.255 128 D C -0.222 176.091 176.300 0.022 0.000 1.174 128 D CA -0.833 53.172 54.000 0.009 0.000 1.008 128 D CB 0.677 41.474 40.800 -0.006 0.000 1.101 128 D HN 0.389 nan 8.370 nan 0.000 0.516 129 S N -1.014 114.685 115.700 -0.001 0.000 2.457 129 S HA 0.271 4.741 4.470 -0.000 0.000 0.294 129 S C 0.175 174.776 174.600 0.002 0.000 1.201 129 S CA -0.191 58.006 58.200 -0.005 0.000 1.112 129 S CB -0.221 62.972 63.200 -0.012 0.000 1.018 129 S HN 0.663 nan 8.310 nan 0.000 0.511 130 E N 1.852 122.054 120.200 0.003 0.000 3.872 130 E HA -0.055 4.295 4.350 -0.000 0.000 0.447 130 E C 0.760 177.370 176.600 0.018 0.000 0.470 130 E CA 0.176 56.580 56.400 0.007 0.000 1.482 130 E CB -1.574 28.132 29.700 0.010 0.000 2.047 130 E HN 1.334 nan 8.360 nan 0.000 0.295 131 G N 1.253 110.073 108.800 0.034 0.000 2.132 131 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.234 131 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.234 131 G C -0.278 174.726 174.900 0.174 0.000 0.989 131 G CA 0.233 45.362 45.100 0.048 0.000 0.676 131 G HN 0.115 nan 8.290 nan 0.000 0.522 132 N N 0.175 118.967 118.700 0.154 0.000 2.488 132 N HA 0.396 5.135 4.740 -0.000 0.000 0.274 132 N C 0.314 175.905 175.510 0.135 0.000 1.111 132 N CA -0.411 52.727 53.050 0.146 0.000 0.974 132 N CB 1.670 40.196 38.487 0.065 0.000 1.089 132 N HN 0.339 nan 8.380 nan 0.000 0.465 133 L N 1.746 123.006 121.223 0.062 0.000 2.462 133 L HA 0.066 4.406 4.340 -0.000 0.000 0.272 133 L C 1.366 178.111 176.870 -0.208 0.000 1.166 133 L CA 0.940 55.615 54.840 -0.275 0.000 0.880 133 L CB 0.650 42.500 42.059 -0.347 0.000 1.142 133 L HN 0.603 nan 8.230 nan 0.000 0.473 134 T N 2.964 117.350 114.554 -0.280 0.000 2.955 134 T HA 0.617 4.967 4.350 -0.000 0.000 0.251 134 T C 0.048 174.657 174.700 -0.152 0.000 1.002 134 T CA 0.421 62.417 62.100 -0.173 0.000 0.970 134 T CB 0.138 68.912 68.868 -0.157 0.000 1.091 134 T HN 0.800 nan 8.240 nan 0.000 0.495 135 A N 0.402 123.103 122.820 -0.199 0.000 2.612 135 A HA 0.744 5.064 4.320 -0.000 0.000 0.293 135 A C -1.807 175.810 177.584 0.055 0.000 1.075 135 A CA -0.704 51.302 52.037 -0.051 0.000 0.680 135 A CB 1.070 20.063 19.000 -0.012 0.000 1.279 135 A HN 0.357 nan 8.150 nan 0.000 0.411 136 I N 0.725 121.400 120.570 0.175 0.000 2.569 136 I HA 0.617 4.787 4.170 -0.000 0.000 0.296 136 I C 0.549 176.733 176.117 0.111 0.000 1.028 136 I CA -0.613 60.800 61.300 0.190 0.000 1.082 136 I CB 2.488 40.557 38.000 0.115 0.000 1.264 136 I HN 0.800 nan 8.210 nan 0.000 0.429 137 G N 6.325 115.070 108.800 -0.091 0.000 2.461 137 G HA2 0.782 4.742 3.960 -0.000 0.000 0.323 137 G HA3 0.782 4.742 3.960 -0.000 0.000 0.323 137 G C -1.036 173.597 174.900 -0.446 0.000 1.229 137 G CA -0.393 44.386 45.100 -0.535 0.000 0.941 137 G HN 0.453 nan 8.290 nan 0.000 0.477 138 I N 1.444 121.716 120.570 -0.495 0.000 2.418 138 I HA 0.394 4.564 4.170 -0.000 0.000 0.287 138 I C -0.112 175.563 176.117 -0.737 0.000 1.008 138 I CA -0.632 60.293 61.300 -0.624 0.000 1.104 138 I CB 2.202 39.806 38.000 -0.659 0.000 1.264 138 I HN 0.427 nan 8.210 nan 0.000 0.438 139 S N 6.235 121.488 115.700 -0.744 0.000 2.502 139 S HA 0.692 5.162 4.470 -0.000 0.000 0.304 139 S C -0.986 173.205 174.600 -0.681 0.000 1.097 139 S CA -0.412 57.427 58.200 -0.601 0.000 1.045 139 S CB 0.622 63.605 63.200 -0.362 0.000 1.019 139 S HN 0.294 nan 8.310 nan 0.000 0.481 140 F N 3.171 123.023 119.950 -0.163 0.000 2.420 140 F HA 0.536 5.063 4.527 -0.000 0.000 0.342 140 F C 0.820 176.541 175.800 -0.132 0.000 1.113 140 F CA -0.879 57.051 58.000 -0.117 0.000 1.059 140 F CB 1.027 40.027 39.000 0.001 0.000 1.128 140 F HN 0.486 nan 8.300 nan 0.000 0.475 141 R N 1.272 121.784 120.500 0.021 0.000 2.490 141 R HA 0.493 4.833 4.340 -0.000 0.000 0.280 141 R C 0.641 176.870 176.300 -0.118 0.000 1.077 141 R CA -0.155 55.816 56.100 -0.215 0.000 1.065 141 R CB 0.566 30.735 30.300 -0.219 0.000 1.003 141 R HN 0.906 nan 8.270 nan 0.000 0.470 142 G N 1.123 109.745 108.800 -0.298 0.000 2.516 142 G HA2 0.032 3.992 3.960 -0.000 0.000 0.276 142 G HA3 0.032 3.992 3.960 -0.000 0.000 0.276 142 G C -0.686 174.290 174.900 0.127 0.000 1.390 142 G CA -0.550 44.586 45.100 0.060 0.000 1.050 142 G HN 0.589 nan 8.290 nan 0.000 0.519 143 T N 0.635 115.342 114.554 0.255 0.000 2.902 143 T HA 0.425 4.775 4.350 -0.000 0.000 0.301 143 T C 0.382 175.233 174.700 0.252 0.000 1.012 143 T CA 1.152 63.387 62.100 0.226 0.000 1.151 143 T CB 0.073 69.086 68.868 0.242 0.000 0.946 143 T HN 1.811 nan 8.240 nan 0.000 0.542 144 S N 1.197 116.999 115.700 0.170 0.000 3.424 144 S HA 0.368 4.837 4.470 -0.000 0.000 0.533 144 S C -0.451 174.206 174.600 0.095 0.000 0.648 144 S CA -0.765 57.524 58.200 0.149 0.000 1.260 144 S CB -0.750 62.577 63.200 0.211 0.000 1.339 144 S HN 1.465 nan 8.310 nan 0.000 0.484 145 G N -0.444 108.403 108.800 0.079 0.000 2.682 145 G HA2 0.785 4.745 3.960 -0.000 0.000 0.303 145 G HA3 0.785 4.745 3.960 -0.000 0.000 0.303 145 G C -3.594 171.324 174.900 0.030 0.000 1.341 145 G CA -0.856 44.266 45.100 0.036 0.000 0.784 145 G HN 0.743 nan 8.290 nan 0.000 0.497 146 P HA 0.161 nan 4.420 nan 0.000 0.265 146 P C 0.840 178.146 177.300 0.010 0.000 1.187 146 P CA -0.059 63.029 63.100 -0.020 0.000 0.766 146 P CB 0.723 32.426 31.700 0.005 0.000 0.820 147 R N 1.858 122.357 120.500 -0.002 0.000 2.117 147 R HA -0.217 4.123 4.340 -0.000 0.000 0.243 147 R C 1.529 177.834 176.300 0.007 0.000 1.143 147 R CA 1.701 57.806 56.100 0.009 0.000 0.968 147 R CB -0.359 29.939 30.300 -0.003 0.000 0.863 147 R HN 0.549 nan 8.270 nan 0.000 0.444 148 E N -0.084 120.116 120.200 -0.000 0.000 2.265 148 E HA -0.093 4.256 4.350 -0.000 0.000 0.196 148 E C 0.865 177.473 176.600 0.014 0.000 0.996 148 E CA 1.360 57.761 56.400 0.000 0.000 0.832 148 E CB 0.235 29.930 29.700 -0.007 0.000 0.756 148 E HN 0.317 nan 8.360 nan 0.000 0.491 149 S N -0.864 114.854 115.700 0.030 0.000 2.902 149 S HA 0.201 4.671 4.470 -0.000 0.000 0.250 149 S C 1.003 175.632 174.600 0.048 0.000 1.046 149 S CA -0.521 57.704 58.200 0.041 0.000 1.069 149 S CB 0.038 63.273 63.200 0.059 0.000 0.967 149 S HN 0.063 nan 8.310 nan 0.000 0.530 150 L N 1.993 123.241 121.223 0.041 0.000 1.990 150 L HA 0.053 4.393 4.340 -0.000 0.000 0.213 150 L C 1.933 178.833 176.870 0.050 0.000 1.072 150 L CA 1.921 56.790 54.840 0.049 0.000 0.755 150 L CB -0.661 41.426 42.059 0.046 0.000 0.889 150 L HN 0.512 nan 8.230 nan 0.000 0.432 151 I N -0.894 119.699 120.570 0.039 0.000 2.163 151 I HA -0.211 3.959 4.170 -0.000 0.000 0.240 151 I C 2.484 178.622 176.117 0.036 0.000 1.081 151 I CA 1.356 62.677 61.300 0.034 0.000 1.353 151 I CB -1.160 36.855 38.000 0.025 0.000 1.054 151 I HN 0.420 nan 8.210 nan 0.000 0.407 152 G N 0.061 108.883 108.800 0.036 0.000 2.418 152 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.217 152 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.217 152 G C 1.436 176.367 174.900 0.051 0.000 1.158 152 G CA 0.942 46.064 45.100 0.038 0.000 0.771 152 G HN 0.368 nan 8.290 nan 0.000 0.545 153 D N 0.032 120.470 120.400 0.064 0.000 2.097 153 D HA -0.109 4.531 4.640 -0.000 0.000 0.195 153 D C 2.456 178.801 176.300 0.076 0.000 0.989 153 D CA 1.539 55.587 54.000 0.081 0.000 0.827 153 D CB -0.065 40.790 40.800 0.092 0.000 0.966 153 D HN 0.223 nan 8.370 nan 0.000 0.456 154 T N 1.094 115.689 114.554 0.069 0.000 2.759 154 T HA -0.118 4.232 4.350 -0.000 0.000 0.269 154 T C 2.153 176.887 174.700 0.056 0.000 1.042 154 T CA 0.664 62.806 62.100 0.070 0.000 1.140 154 T CB -0.101 68.805 68.868 0.063 0.000 0.864 154 T HN 0.223 nan 8.240 nan 0.000 0.455 155 I N 1.070 121.665 120.570 0.042 0.000 2.226 155 I HA -0.115 4.055 4.170 -0.000 0.000 0.245 155 I C 2.909 179.045 176.117 0.032 0.000 1.100 155 I CA 1.259 62.576 61.300 0.028 0.000 1.374 155 I CB -0.785 37.226 38.000 0.018 0.000 1.057 155 I HN 0.313 nan 8.210 nan 0.000 0.413 156 G N 0.679 109.504 108.800 0.042 0.000 2.476 156 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.218 156 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.218 156 G C 1.246 176.182 174.900 0.061 0.000 1.164 156 G CA 1.152 46.279 45.100 0.044 0.000 0.768 156 G HN 0.301 nan 8.290 nan 0.000 0.560 157 D N 0.163 120.614 120.400 0.085 0.000 2.117 157 D HA -0.086 4.554 4.640 -0.000 0.000 0.197 157 D C 2.736 179.088 176.300 0.086 0.000 0.987 157 D CA 0.726 54.792 54.000 0.109 0.000 0.829 157 D CB -0.509 40.363 40.800 0.120 0.000 0.961 157 D HN 0.215 nan 8.370 nan 0.000 0.460 158 V N 1.192 121.145 119.914 0.064 0.000 2.490 158 V HA -0.196 3.924 4.120 -0.000 0.000 0.250 158 V C 2.463 178.576 176.094 0.030 0.000 1.061 158 V CA 0.946 63.276 62.300 0.049 0.000 1.064 158 V CB -0.318 31.519 31.823 0.025 0.000 0.670 158 V HN 0.190 nan 8.190 nan 0.000 0.461 159 I N 0.508 121.089 120.570 0.017 0.000 2.179 159 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 159 I C 2.204 178.313 176.117 -0.013 0.000 1.088 159 I CA 2.030 63.323 61.300 -0.011 0.000 1.357 159 I CB -0.606 37.381 38.000 -0.022 0.000 1.051 159 I HN 0.407 nan 8.210 nan 0.000 0.409 160 N N 0.761 119.490 118.700 0.049 0.000 2.104 160 N HA -0.209 4.531 4.740 -0.000 0.000 0.190 160 N C 1.404 176.966 175.510 0.087 0.000 1.024 160 N CA 1.492 54.630 53.050 0.147 0.000 0.853 160 N CB -0.122 38.523 38.487 0.264 0.000 1.008 160 N HN 0.312 nan 8.380 nan 0.000 0.424 161 D N 0.956 121.389 120.400 0.054 0.000 2.104 161 D HA -0.132 4.508 4.640 -0.000 0.000 0.194 161 D C 2.026 178.358 176.300 0.054 0.000 0.994 161 D CA 0.868 54.898 54.000 0.050 0.000 0.830 161 D CB -0.360 40.493 40.800 0.089 0.000 0.959 161 D HN 0.283 nan 8.370 nan 0.000 0.452 162 L N 0.212 121.464 121.223 0.049 0.000 2.093 162 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 162 L C 2.562 179.469 176.870 0.062 0.000 1.085 162 L CA 0.565 55.466 54.840 0.102 0.000 0.755 162 L CB -0.289 41.784 42.059 0.024 0.000 0.904 162 L HN 0.023 nan 8.230 nan 0.000 0.435 163 L N -0.593 120.527 121.223 -0.171 0.000 2.217 163 L HA -0.114 4.226 4.340 -0.000 0.000 0.211 163 L C 2.815 179.423 176.870 -0.437 0.000 1.107 163 L CA 0.739 55.292 54.840 -0.478 0.000 0.783 163 L CB -0.588 40.805 42.059 -1.110 0.000 0.919 163 L HN 0.209 nan 8.230 nan 0.000 0.442 164 A N 0.230 122.946 122.820 -0.174 0.000 1.933 164 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 164 A C 2.347 179.892 177.584 -0.064 0.000 1.175 164 A CA 1.807 53.862 52.037 0.029 0.000 0.628 164 A CB -0.980 18.058 19.000 0.065 0.000 0.814 164 A HN 0.430 nan 8.150 nan 0.000 0.444 165 G N -2.638 106.099 108.800 -0.105 0.000 2.492 165 G HA2 0.190 4.150 3.960 -0.000 0.000 0.214 165 G HA3 0.190 4.150 3.960 -0.000 0.000 0.214 165 G C 0.863 175.396 174.900 -0.612 0.000 1.147 165 G CA 0.764 45.647 45.100 -0.361 0.000 0.809 165 G HN 0.459 nan 8.290 nan 0.000 0.533 166 F N 0.062 119.964 119.950 -0.080 0.000 2.856 166 F HA 0.386 4.912 4.527 -0.000 0.000 0.338 166 F C 1.544 177.291 175.800 -0.088 0.000 1.100 166 F CA -0.554 57.405 58.000 -0.068 0.000 1.150 166 F CB 0.791 39.754 39.000 -0.062 0.000 1.101 166 F HN 0.180 nan 8.300 nan 0.000 0.548 167 G N 0.477 109.272 108.800 -0.007 0.000 2.574 167 G HA2 0.499 4.459 3.960 -0.000 0.000 0.248 167 G HA3 0.499 4.459 3.960 -0.000 0.000 0.248 167 G C -2.303 172.602 174.900 0.008 0.000 1.422 167 G CA -1.006 44.054 45.100 -0.068 0.000 1.051 167 G HN -0.156 nan 8.290 nan 0.000 0.560 168 P HA 0.228 nan 4.420 nan 0.000 0.274 168 P C -0.297 177.076 177.300 0.122 0.000 1.237 168 P CA -0.574 62.586 63.100 0.100 0.000 0.793 168 P CB 0.541 32.327 31.700 0.144 0.000 0.977 169 K N 0.954 121.405 120.400 0.085 0.000 2.511 169 K HA 0.164 4.484 4.320 -0.000 0.000 0.280 169 K C 0.955 177.609 176.600 0.090 0.000 1.008 169 K CA 0.900 57.229 56.287 0.071 0.000 1.050 169 K CB -0.874 31.654 32.500 0.046 0.000 0.889 169 K HN 0.764 nan 8.250 nan 0.000 0.484 170 G N 3.326 112.174 108.800 0.081 0.000 2.162 170 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.260 170 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.260 170 G C 0.378 175.333 174.900 0.090 0.000 0.976 170 G CA 0.538 45.676 45.100 0.063 0.000 0.655 170 G HN 0.857 nan 8.290 nan 0.000 0.533 171 Y N 0.999 121.325 120.300 0.042 0.000 2.097 171 Y HA 0.012 4.562 4.550 -0.000 0.000 0.282 171 Y C 2.919 178.877 175.900 0.098 0.000 1.152 171 Y CA 3.098 61.249 58.100 0.085 0.000 1.136 171 Y CB -0.440 38.070 38.460 0.084 0.000 0.975 171 Y HN 0.450 nan 8.280 nan 0.000 0.498 172 A N -0.000 122.956 122.820 0.227 0.000 1.877 172 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 172 A C 1.927 179.527 177.584 0.027 0.000 1.186 172 A CA 2.031 54.138 52.037 0.116 0.000 0.620 172 A CB -0.932 18.107 19.000 0.065 0.000 0.822 172 A HN 0.537 nan 8.150 nan 0.000 0.443 173 D N -0.416 119.985 120.400 0.003 0.000 2.182 173 D HA -0.096 4.544 4.640 -0.000 0.000 0.201 173 D C 1.902 178.157 176.300 -0.076 0.000 0.986 173 D CA 1.511 55.483 54.000 -0.048 0.000 0.847 173 D CB -0.515 40.257 40.800 -0.047 0.000 0.942 173 D HN 0.472 nan 8.370 nan 0.000 0.467 174 G N -1.046 107.698 108.800 -0.093 0.000 2.880 174 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.209 174 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.209 174 G C 1.380 176.149 174.900 -0.217 0.000 1.157 174 G CA -0.088 44.914 45.100 -0.163 0.000 0.779 174 G HN 0.273 nan 8.290 nan 0.000 0.539 175 Y N 1.995 122.130 120.300 -0.274 0.000 2.097 175 Y HA -0.216 4.334 4.550 -0.000 0.000 0.282 175 Y C 2.897 178.633 175.900 -0.274 0.000 1.152 175 Y CA 2.465 60.413 58.100 -0.253 0.000 1.136 175 Y CB -0.252 38.147 38.460 -0.101 0.000 0.975 175 Y HN 0.184 nan 8.280 nan 0.000 0.498 176 T N 1.043 115.520 114.554 -0.129 0.000 2.867 176 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 176 T C 1.724 176.370 174.700 -0.090 0.000 1.057 176 T CA 1.263 63.254 62.100 -0.183 0.000 1.136 176 T CB -0.503 68.266 68.868 -0.166 0.000 0.874 176 T HN 0.262 nan 8.240 nan 0.000 0.466 177 L N 1.211 122.389 121.223 -0.074 0.000 2.056 177 L HA 0.032 4.372 4.340 -0.000 0.000 0.207 177 L C 2.173 178.921 176.870 -0.202 0.000 1.078 177 L CA 1.792 56.614 54.840 -0.030 0.000 0.749 177 L CB -0.404 41.578 42.059 -0.130 0.000 0.901 177 L HN 0.064 nan 8.230 nan 0.000 0.433 178 K N -0.954 119.168 120.400 -0.464 0.000 2.155 178 K HA -0.003 4.317 4.320 -0.000 0.000 0.203 178 K C 2.002 178.169 176.600 -0.722 0.000 1.052 178 K CA 1.055 56.930 56.287 -0.686 0.000 0.948 178 K CB -0.197 31.573 32.500 -1.216 0.000 0.728 178 K HN 0.433 nan 8.250 nan 0.000 0.448 179 A N 0.440 122.764 122.820 -0.827 0.000 1.874 179 A HA -0.026 4.294 4.320 -0.000 0.000 0.214 179 A C 1.052 178.082 177.584 -0.924 0.000 1.189 179 A CA 1.133 52.601 52.037 -0.949 0.000 0.615 179 A CB -0.043 18.220 19.000 -1.230 0.000 0.830 179 A HN 0.243 nan 8.150 nan 0.000 0.443 180 F N -1.199 118.688 119.950 -0.105 0.000 2.815 180 F HA 0.315 4.842 4.527 -0.000 0.000 0.323 180 F C 1.852 177.700 175.800 0.079 0.000 1.151 180 F CA -0.490 57.511 58.000 0.002 0.000 1.191 180 F CB -0.153 38.855 39.000 0.014 0.000 1.069 180 F HN 0.187 nan 8.300 nan 0.000 0.514 181 G N 0.689 109.638 108.800 0.249 0.000 2.476 181 G HA2 -0.397 3.562 3.960 -0.000 0.000 0.218 181 G HA3 -0.397 3.562 3.960 -0.000 0.000 0.218 181 G C 1.623 176.786 174.900 0.439 0.000 1.164 181 G CA 1.624 46.983 45.100 0.431 0.000 0.768 181 G HN 0.399 nan 8.290 nan 0.000 0.560 182 N N -0.212 118.665 118.700 0.295 0.000 2.106 182 N HA -0.069 4.671 4.740 -0.000 0.000 0.188 182 N C 2.115 177.805 175.510 0.299 0.000 1.029 182 N CA 1.136 54.364 53.050 0.297 0.000 0.848 182 N CB -0.271 38.381 38.487 0.274 0.000 1.007 182 N HN 0.207 nan 8.380 nan 0.000 0.423 183 L N 0.723 122.103 121.223 0.262 0.000 2.012 183 L HA -0.070 4.270 4.340 -0.000 0.000 0.210 183 L C 1.810 178.581 176.870 -0.165 0.000 1.073 183 L CA 1.615 56.383 54.840 -0.120 0.000 0.748 183 L CB -0.735 41.094 42.059 -0.382 0.000 0.891 183 L HN 0.313 nan 8.230 nan 0.000 0.431 184 L N -0.774 120.362 121.223 -0.145 0.000 2.131 184 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 184 L C 2.506 179.264 176.870 -0.187 0.000 1.092 184 L CA 1.017 55.635 54.840 -0.369 0.000 0.759 184 L CB -1.316 40.172 42.059 -0.951 0.000 0.903 184 L HN 0.482 nan 8.230 nan 0.000 0.435 185 G N -0.240 108.598 108.800 0.063 0.000 2.421 185 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 185 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 185 G C 1.121 176.068 174.900 0.078 0.000 1.171 185 G CA 0.797 46.027 45.100 0.217 0.000 0.775 185 G HN 0.280 nan 8.290 nan 0.000 0.543 186 D N 0.229 120.672 120.400 0.072 0.000 2.117 186 D HA -0.086 4.554 4.640 -0.000 0.000 0.197 186 D C 2.753 179.056 176.300 0.004 0.000 0.987 186 D CA 0.660 54.694 54.000 0.057 0.000 0.829 186 D CB -0.469 40.394 40.800 0.106 0.000 0.961 186 D HN 0.195 nan 8.370 nan 0.000 0.460 187 V N 1.230 121.102 119.914 -0.069 0.000 2.407 187 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 187 V C 2.464 178.534 176.094 -0.041 0.000 1.055 187 V CA 1.663 63.935 62.300 -0.047 0.000 1.049 187 V CB -0.746 31.012 31.823 -0.108 0.000 0.662 187 V HN 0.183 nan 8.190 nan 0.000 0.455 188 A N 0.026 122.723 122.820 -0.204 0.000 1.877 188 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 188 A C 2.292 179.504 177.584 -0.620 0.000 1.186 188 A CA 1.941 53.515 52.037 -0.772 0.000 0.620 188 A CB -0.410 18.108 19.000 -0.805 0.000 0.822 188 A HN 0.543 nan 8.150 nan 0.000 0.443 189 K N -1.511 118.738 120.400 -0.252 0.000 2.097 189 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 189 K C 1.770 178.354 176.600 -0.026 0.000 1.049 189 K CA 1.505 57.718 56.287 -0.124 0.000 0.933 189 K CB -0.348 32.142 32.500 -0.018 0.000 0.717 189 K HN 0.499 nan 8.250 nan 0.000 0.442 190 F N 1.882 121.780 119.950 -0.087 0.000 2.075 190 F HA -0.222 4.305 4.527 -0.000 0.000 0.297 190 F C 2.230 178.078 175.800 0.080 0.000 1.113 190 F CA 1.470 59.486 58.000 0.028 0.000 1.218 190 F CB -0.513 38.492 39.000 0.009 0.000 0.984 190 F HN -0.013 nan 8.300 nan 0.000 0.472 191 A N 0.196 123.001 122.820 -0.025 0.000 1.873 191 A HA -0.289 4.031 4.320 -0.000 0.000 0.218 191 A C 2.174 179.721 177.584 -0.062 0.000 1.193 191 A CA 2.106 54.105 52.037 -0.063 0.000 0.629 191 A CB -1.113 17.915 19.000 0.047 0.000 0.826 191 A HN 0.630 nan 8.150 nan 0.000 0.447 192 Q N -0.961 118.764 119.800 -0.126 0.000 2.135 192 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 192 Q C 2.389 178.343 176.000 -0.077 0.000 0.981 192 Q CA 1.353 57.124 55.803 -0.053 0.000 0.856 192 Q CB -0.393 28.287 28.738 -0.097 0.000 0.902 192 Q HN 0.709 nan 8.270 nan 0.000 0.425 193 A N 0.324 123.068 122.820 -0.127 0.000 2.019 193 A HA -0.174 4.145 4.320 -0.000 0.000 0.219 193 A C 0.978 178.362 177.584 -0.334 0.000 1.164 193 A CA 1.388 53.303 52.037 -0.204 0.000 0.644 193 A CB -0.439 18.432 19.000 -0.215 0.000 0.805 193 A HN 0.368 nan 8.150 nan 0.000 0.449 194 H N -1.610 117.299 119.070 -0.268 0.000 2.519 194 H HA 0.384 4.940 4.556 -0.000 0.000 0.289 194 H C 1.403 176.649 175.328 -0.137 0.000 1.040 194 H CA 0.435 56.339 56.048 -0.241 0.000 1.165 194 H CB 0.146 29.677 29.762 -0.386 0.000 1.462 194 H HN 0.553 nan 8.280 nan 0.000 0.555 195 G N 0.573 109.357 108.800 -0.027 0.000 2.143 195 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.248 195 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.248 195 G C 0.002 174.914 174.900 0.019 0.000 0.991 195 G CA 0.112 45.207 45.100 -0.007 0.000 0.689 195 G HN 0.303 nan 8.290 nan 0.000 0.522 196 L N 0.822 122.071 121.223 0.044 0.000 2.360 196 L HA 0.721 5.061 4.340 -0.000 0.000 0.271 196 L C 1.030 177.986 176.870 0.144 0.000 1.057 196 L CA -0.203 54.678 54.840 0.068 0.000 0.803 196 L CB 1.725 43.825 42.059 0.068 0.000 1.207 196 L HN 0.405 nan 8.230 nan 0.000 0.445 197 S N -0.258 115.464 115.700 0.036 0.000 2.759 197 S HA 0.453 4.923 4.470 -0.000 0.000 0.310 197 S C 0.931 175.267 174.600 -0.441 0.000 1.123 197 S CA -0.155 57.952 58.200 -0.155 0.000 0.959 197 S CB 1.352 64.459 63.200 -0.156 0.000 1.172 197 S HN 0.740 nan 8.310 nan 0.000 0.539 198 G N 0.075 108.289 108.800 -0.976 0.000 2.475 198 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.220 198 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.220 198 G C 0.944 175.680 174.900 -0.274 0.000 1.125 198 G CA 0.824 45.457 45.100 -0.778 0.000 0.755 198 G HN 0.839 nan 8.290 nan 0.000 0.565 199 E N 0.378 120.464 120.200 -0.190 0.000 2.472 199 E HA -0.038 4.312 4.350 -0.000 0.000 0.200 199 E C 0.971 177.545 176.600 -0.045 0.000 1.046 199 E CA 0.432 56.787 56.400 -0.075 0.000 0.871 199 E CB 0.143 29.818 29.700 -0.042 0.000 0.806 199 E HN 0.358 nan 8.360 nan 0.000 0.533 200 D N 0.178 120.546 120.400 -0.052 0.000 2.325 200 D HA 0.024 4.663 4.640 -0.000 0.000 0.225 200 D C -0.371 175.944 176.300 0.025 0.000 1.096 200 D CA 0.272 54.268 54.000 -0.007 0.000 0.844 200 D CB 0.740 41.540 40.800 -0.001 0.000 0.925 200 D HN -0.057 nan 8.370 nan 0.000 0.513 201 V N 1.197 121.111 119.914 -0.000 0.000 2.495 201 V HA 0.283 4.402 4.120 -0.000 0.000 0.298 201 V C 0.012 176.048 176.094 -0.096 0.000 1.031 201 V CA -0.959 61.343 62.300 0.003 0.000 0.871 201 V CB 2.648 34.522 31.823 0.085 0.000 0.988 201 V HN -0.192 nan 8.190 nan 0.000 0.432 202 V N 6.478 126.313 119.914 -0.132 0.000 2.435 202 V HA 0.676 4.796 4.120 -0.000 0.000 0.290 202 V C -0.589 175.308 176.094 -0.327 0.000 1.030 202 V CA -0.144 62.014 62.300 -0.237 0.000 0.881 202 V CB 1.903 33.602 31.823 -0.205 0.000 0.983 202 V HN 0.649 nan 8.190 nan 0.000 0.445 203 V N 6.374 126.082 119.914 -0.344 0.000 2.409 203 V HA 0.740 4.860 4.120 -0.000 0.000 0.291 203 V C 0.077 176.073 176.094 -0.163 0.000 1.020 203 V CA 0.022 62.150 62.300 -0.286 0.000 0.848 203 V CB 1.399 33.075 31.823 -0.245 0.000 0.990 203 V HN 1.006 nan 8.190 nan 0.000 0.430 204 S N 2.426 118.027 115.700 -0.165 0.000 2.776 204 S HA 1.001 5.471 4.470 -0.000 0.000 0.292 204 S C -0.420 174.201 174.600 0.035 0.000 1.187 204 S CA 0.131 58.302 58.200 -0.049 0.000 0.834 204 S CB 2.110 65.271 63.200 -0.066 0.000 1.199 204 S HN 1.629 nan 8.310 nan 0.000 0.514 205 G N 0.706 109.593 108.800 0.145 0.000 2.350 205 G HA2 0.326 4.286 3.960 -0.000 0.000 0.305 205 G HA3 0.326 4.286 3.960 -0.000 0.000 0.305 205 G C -2.121 172.937 174.900 0.263 0.000 1.479 205 G CA -0.723 44.480 45.100 0.171 0.000 0.949 205 G HN 0.848 nan 8.290 nan 0.000 0.651 206 H N 0.648 119.778 119.070 0.100 0.000 2.600 206 H HA 0.756 5.311 4.556 -0.000 0.000 0.357 206 H C 0.680 176.063 175.328 0.091 0.000 1.106 206 H CA 0.869 56.965 56.048 0.081 0.000 1.193 206 H CB 1.904 31.688 29.762 0.038 0.000 1.594 206 H HN 1.534 nan 8.280 nan 0.000 0.526 207 S N 2.402 117.893 115.700 -0.349 0.000 4.118 207 S HA -0.329 4.141 4.470 -0.000 0.000 0.624 207 S C 1.487 176.098 174.600 0.017 0.000 1.929 207 S CA 1.283 59.429 58.200 -0.090 0.000 4.219 207 S CB -1.330 61.960 63.200 0.151 0.000 0.206 207 S HN 0.663 nan 8.310 nan 0.000 0.525 208 L N 2.930 124.192 121.223 0.067 0.000 2.187 208 L HA 0.150 4.489 4.340 -0.000 0.000 0.213 208 L C 2.318 179.165 176.870 -0.039 0.000 1.100 208 L CA 3.041 57.860 54.840 -0.035 0.000 0.765 208 L CB -1.265 40.777 42.059 -0.027 0.000 0.904 208 L HN 0.697 nan 8.230 nan 0.000 0.437 209 G N -1.139 107.698 108.800 0.062 0.000 2.408 209 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.217 209 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.217 209 G C 1.501 176.480 174.900 0.132 0.000 1.150 209 G CA 0.502 45.685 45.100 0.138 0.000 0.776 209 G HN 0.580 nan 8.290 nan 0.000 0.542 210 G N 0.850 109.696 108.800 0.076 0.000 2.402 210 G HA2 -0.161 3.798 3.960 -0.000 0.000 0.216 210 G HA3 -0.161 3.798 3.960 -0.000 0.000 0.216 210 G C 1.758 176.669 174.900 0.019 0.000 1.162 210 G CA 0.786 45.922 45.100 0.060 0.000 0.777 210 G HN 0.441 nan 8.290 nan 0.000 0.539 211 L N 0.707 121.910 121.223 -0.033 0.000 2.042 211 L HA -0.049 4.291 4.340 -0.000 0.000 0.210 211 L C 3.111 179.922 176.870 -0.097 0.000 1.076 211 L CA 1.873 56.664 54.840 -0.082 0.000 0.749 211 L CB -0.242 41.725 42.059 -0.153 0.000 0.893 211 L HN 0.264 nan 8.230 nan 0.000 0.432 212 A N -0.918 121.829 122.820 -0.122 0.000 1.972 212 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 212 A C 2.180 179.629 177.584 -0.225 0.000 1.169 212 A CA 1.740 53.645 52.037 -0.220 0.000 0.635 212 A CB -0.866 17.893 19.000 -0.403 0.000 0.810 212 A HN 0.352 nan 8.150 nan 0.000 0.446 213 V N 0.984 120.916 119.914 0.030 0.000 2.295 213 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 213 V C 2.289 178.410 176.094 0.044 0.000 1.049 213 V CA 2.096 64.506 62.300 0.183 0.000 1.024 213 V CB -0.885 31.067 31.823 0.215 0.000 0.648 213 V HN 0.592 nan 8.190 nan 0.000 0.447 214 N N -0.123 118.574 118.700 -0.005 0.000 2.166 214 N HA -0.161 4.578 4.740 -0.000 0.000 0.186 214 N C 2.169 177.595 175.510 -0.140 0.000 1.019 214 N CA 1.704 54.729 53.050 -0.042 0.000 0.856 214 N CB -0.159 38.333 38.487 0.009 0.000 0.993 214 N HN 0.475 nan 8.380 nan 0.000 0.426 215 S N 1.328 116.958 115.700 -0.116 0.000 2.356 215 S HA -0.111 4.359 4.470 -0.000 0.000 0.223 215 S C 2.018 176.531 174.600 -0.144 0.000 1.032 215 S CA 0.903 59.026 58.200 -0.129 0.000 1.005 215 S CB -0.138 63.028 63.200 -0.057 0.000 0.867 215 S HN 0.252 nan 8.310 nan 0.000 0.449 216 M N 1.002 120.547 119.600 -0.093 0.000 2.080 216 M HA -0.113 4.367 4.480 -0.000 0.000 0.260 216 M C 2.189 178.429 176.300 -0.099 0.000 1.068 216 M CA 1.899 57.217 55.300 0.030 0.000 1.109 216 M CB -0.593 32.084 32.600 0.128 0.000 1.342 216 M HN 0.476 nan 8.290 nan 0.000 0.405 217 A N 0.232 122.753 122.820 -0.498 0.000 1.908 217 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 217 A C 2.280 179.436 177.584 -0.713 0.000 1.181 217 A CA 2.127 53.657 52.037 -0.846 0.000 0.627 217 A CB -1.287 17.142 19.000 -0.952 0.000 0.818 217 A HN 0.690 nan 8.150 nan 0.000 0.445 218 A N -1.577 120.661 122.820 -0.970 0.000 2.019 218 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 218 A C 1.965 179.230 177.584 -0.533 0.000 1.164 218 A CA 1.535 52.786 52.037 -1.309 0.000 0.644 218 A CB -0.249 18.211 19.000 -0.899 0.000 0.805 218 A HN 0.523 nan 8.150 nan 0.000 0.449 219 Q N -0.337 119.302 119.800 -0.269 0.000 2.356 219 Q HA 0.011 4.351 4.340 -0.000 0.000 0.205 219 Q C 2.029 178.023 176.000 -0.011 0.000 0.901 219 Q CA 0.988 56.706 55.803 -0.142 0.000 0.938 219 Q CB -0.037 28.623 28.738 -0.131 0.000 1.081 219 Q HN 0.817 nan 8.270 nan 0.000 0.517 220 S N 0.394 116.168 115.700 0.123 0.000 2.453 220 S HA -0.100 4.369 4.470 -0.000 0.000 0.231 220 S C 1.247 175.995 174.600 0.247 0.000 1.005 220 S CA 0.848 59.262 58.200 0.356 0.000 0.949 220 S CB 0.055 63.497 63.200 0.403 0.000 0.774 220 S HN 0.119 nan 8.310 nan 0.000 0.510 221 D N 2.190 122.662 120.400 0.121 0.000 2.149 221 D HA 0.131 4.771 4.640 -0.000 0.000 0.201 221 D C 2.047 178.385 176.300 0.064 0.000 0.972 221 D CA 1.469 55.529 54.000 0.100 0.000 0.835 221 D CB -0.298 40.549 40.800 0.078 0.000 0.966 221 D HN 0.601 nan 8.370 nan 0.000 0.476 222 A N 0.014 122.837 122.820 0.005 0.000 2.063 222 A HA 0.057 4.377 4.320 -0.000 0.000 0.211 222 A C 1.129 178.650 177.584 -0.104 0.000 1.177 222 A CA 0.087 52.097 52.037 -0.046 0.000 0.759 222 A CB 0.271 19.223 19.000 -0.079 0.000 0.857 222 A HN 0.064 nan 8.150 nan 0.000 0.468 223 N N -1.181 117.401 118.700 -0.196 0.000 2.485 223 N HA 0.213 4.953 4.740 -0.000 0.000 0.280 223 N C -0.463 174.981 175.510 -0.110 0.000 1.205 223 N CA -0.386 52.383 53.050 -0.468 0.000 0.959 223 N CB 0.364 38.094 38.487 -1.260 0.000 1.206 223 N HN 0.425 nan 8.380 nan 0.000 0.545 224 W N -0.126 121.255 121.300 0.135 0.000 5.538 224 W HA -0.209 4.451 4.660 -0.000 0.000 0.377 224 W C 1.047 177.651 176.519 0.141 0.000 1.406 224 W CA 0.637 58.081 57.345 0.165 0.000 0.940 224 W CB -2.287 27.366 29.460 0.321 0.000 2.536 224 W HN 0.978 nan 8.180 nan 0.000 1.504 225 G N -1.181 107.741 108.800 0.203 0.000 2.187 225 G HA2 0.026 3.986 3.960 -0.000 0.000 0.261 225 G HA3 0.026 3.986 3.960 -0.000 0.000 0.261 225 G C 1.285 176.296 174.900 0.184 0.000 1.000 225 G CA 1.463 46.659 45.100 0.160 0.000 0.718 225 G HN 1.808 nan 8.290 nan 0.000 0.519 226 G N -1.561 107.378 108.800 0.231 0.000 2.179 226 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.260 226 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.260 226 G C 1.018 176.053 174.900 0.224 0.000 0.977 226 G CA 1.073 46.299 45.100 0.211 0.000 0.641 226 G HN 1.515 nan 8.290 nan 0.000 0.533 227 F N 0.602 120.610 119.950 0.096 0.000 2.120 227 F HA -0.011 4.515 4.527 -0.000 0.000 0.300 227 F C 2.056 177.784 175.800 -0.120 0.000 1.095 227 F CA 2.182 60.128 58.000 -0.091 0.000 1.249 227 F CB -0.032 38.791 39.000 -0.295 0.000 0.995 227 F HN 0.268 nan 8.300 nan 0.000 0.480 228 Y N -0.388 120.057 120.300 0.240 0.000 2.493 228 Y HA 0.389 4.939 4.550 -0.000 0.000 0.275 228 Y C 1.979 178.001 175.900 0.205 0.000 1.183 228 Y CA 0.081 58.270 58.100 0.147 0.000 1.258 228 Y CB -0.974 37.647 38.460 0.268 0.000 1.108 228 Y HN 0.133 nan 8.280 nan 0.000 0.521 229 A N -0.060 122.923 122.820 0.273 0.000 1.940 229 A HA -0.181 4.138 4.320 -0.000 0.000 0.219 229 A C 1.822 179.551 177.584 0.242 0.000 1.176 229 A CA 1.518 53.707 52.037 0.253 0.000 0.631 229 A CB -0.156 18.939 19.000 0.158 0.000 0.814 229 A HN 0.260 nan 8.150 nan 0.000 0.446 230 Q N 0.353 120.232 119.800 0.132 0.000 2.189 230 Q HA 0.285 4.625 4.340 -0.000 0.000 0.221 230 Q C -0.007 176.046 176.000 0.088 0.000 0.848 230 Q CA -0.069 55.799 55.803 0.109 0.000 1.007 230 Q CB 0.135 28.889 28.738 0.026 0.000 1.116 230 Q HN 0.509 nan 8.270 nan 0.000 0.481 231 S N 1.719 117.470 115.700 0.086 0.000 2.608 231 S HA 0.212 4.681 4.470 -0.000 0.000 0.261 231 S C 0.474 174.965 174.600 -0.182 0.000 1.314 231 S CA -0.343 57.784 58.200 -0.122 0.000 0.992 231 S CB 0.447 63.502 63.200 -0.241 0.000 0.935 231 S HN 0.276 nan 8.310 nan 0.000 0.564 232 N N 1.668 120.200 118.700 -0.280 0.000 2.500 232 N HA 0.207 4.947 4.740 -0.000 0.000 0.236 232 N C -1.664 173.609 175.510 -0.395 0.000 1.022 232 N CA 0.020 52.940 53.050 -0.217 0.000 0.935 232 N CB 0.611 38.963 38.487 -0.226 0.000 1.147 232 N HN 0.465 nan 8.380 nan 0.000 0.512 233 Y N 0.744 121.025 120.300 -0.033 0.000 2.385 233 Y HA 0.300 4.850 4.550 -0.000 0.000 0.341 233 Y C 0.269 176.098 175.900 -0.119 0.000 0.965 233 Y CA -0.761 57.324 58.100 -0.025 0.000 1.180 233 Y CB 1.098 39.623 38.460 0.108 0.000 1.139 233 Y HN 0.127 nan 8.280 nan 0.000 0.502 234 V N 3.672 123.529 119.914 -0.095 0.000 2.349 234 V HA 0.706 4.826 4.120 -0.000 0.000 0.284 234 V C -0.177 175.727 176.094 -0.317 0.000 1.014 234 V CA -0.919 61.230 62.300 -0.252 0.000 0.826 234 V CB 1.102 32.706 31.823 -0.365 0.000 1.009 234 V HN 0.820 nan 8.190 nan 0.000 0.431 235 A N 5.277 127.921 122.820 -0.293 0.000 2.304 235 A HA 0.903 5.223 4.320 -0.000 0.000 0.323 235 A C -0.957 176.399 177.584 -0.380 0.000 1.195 235 A CA -0.328 51.587 52.037 -0.203 0.000 0.826 235 A CB 0.541 19.535 19.000 -0.010 0.000 1.184 235 A HN 0.612 nan 8.150 nan 0.000 0.496 236 F N 1.651 121.595 119.950 -0.010 0.000 2.420 236 F HA 0.523 5.050 4.527 -0.000 0.000 0.342 236 F C 1.176 176.849 175.800 -0.213 0.000 1.113 236 F CA 0.479 58.437 58.000 -0.071 0.000 1.059 236 F CB 1.859 40.821 39.000 -0.063 0.000 1.128 236 F HN 0.991 nan 8.300 nan 0.000 0.475 237 A N 1.932 124.734 122.820 -0.031 0.000 2.799 237 A HA -0.234 4.086 4.320 -0.000 0.000 0.287 237 A C 0.694 178.363 177.584 0.141 0.000 1.484 237 A CA 0.760 52.785 52.037 -0.020 0.000 0.813 237 A CB -2.024 16.653 19.000 -0.539 0.000 1.009 237 A HN 0.700 nan 8.150 nan 0.000 0.545 238 S N 0.023 115.868 115.700 0.241 0.000 2.549 238 S HA 0.478 4.948 4.470 -0.000 0.000 0.279 238 S C -0.260 174.388 174.600 0.079 0.000 1.321 238 S CA -0.735 57.533 58.200 0.113 0.000 1.054 238 S CB 0.749 63.995 63.200 0.076 0.000 0.899 238 S HN 0.402 nan 8.310 nan 0.000 0.497 239 P HA 0.058 nan 4.420 nan 0.000 0.225 239 P C 0.455 177.668 177.300 -0.145 0.000 1.156 239 P CA 0.604 63.642 63.100 -0.103 0.000 0.787 239 P CB -0.257 31.377 31.700 -0.111 0.000 0.802 240 T N -2.577 111.912 114.554 -0.109 0.000 2.950 240 T HA 0.643 4.993 4.350 -0.000 0.000 0.288 240 T C -0.650 173.973 174.700 -0.129 0.000 1.035 240 T CA -0.672 61.353 62.100 -0.124 0.000 1.028 240 T CB 1.706 70.530 68.868 -0.074 0.000 1.109 240 T HN -0.179 nan 8.240 nan 0.000 0.514 241 Q N 0.526 120.232 119.800 -0.157 0.000 2.323 241 Q HA 0.487 4.827 4.340 -0.000 0.000 0.271 241 Q C -1.865 174.120 176.000 -0.024 0.000 1.048 241 Q CA -0.710 55.018 55.803 -0.124 0.000 0.792 241 Q CB 1.993 30.570 28.738 -0.269 0.000 1.280 241 Q HN 0.777 nan 8.270 nan 0.000 0.441 242 Y N 1.573 121.815 120.300 -0.096 0.000 2.342 242 Y HA 0.356 4.906 4.550 -0.000 0.000 0.338 242 Y C 0.077 175.940 175.900 -0.062 0.000 0.965 242 Y CA -0.062 57.988 58.100 -0.082 0.000 1.159 242 Y CB 0.989 39.390 38.460 -0.097 0.000 1.157 242 Y HN 0.778 nan 8.280 nan 0.000 0.486 243 E N 3.613 123.454 120.200 -0.599 0.000 2.541 243 E HA 0.293 4.643 4.350 -0.000 0.000 0.219 243 E C 0.083 176.386 176.600 -0.494 0.000 0.922 243 E CA -0.168 55.985 56.400 -0.412 0.000 1.095 243 E CB 0.702 30.284 29.700 -0.197 0.000 1.112 243 E HN 0.659 nan 8.360 nan 0.000 0.516 244 A N 0.957 123.310 122.820 -0.778 0.000 2.522 244 A HA 0.391 4.711 4.320 -0.000 0.000 0.256 244 A C 1.284 178.658 177.584 -0.351 0.000 1.086 244 A CA 0.991 52.738 52.037 -0.483 0.000 0.763 244 A CB -0.492 18.292 19.000 -0.360 0.000 1.024 244 A HN 0.361 nan 8.150 nan 0.000 0.502 245 G N 1.582 110.293 108.800 -0.149 0.000 2.195 245 G HA2 0.146 4.105 3.960 -0.000 0.000 0.246 245 G HA3 0.146 4.105 3.960 -0.000 0.000 0.246 245 G C 1.598 176.474 174.900 -0.039 0.000 0.984 245 G CA 0.756 45.828 45.100 -0.046 0.000 0.633 245 G HN 2.759 nan 8.290 nan 0.000 0.525 246 G N -0.215 108.534 108.800 -0.085 0.000 2.273 246 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.280 246 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.280 246 G C 0.880 175.769 174.900 -0.018 0.000 1.047 246 G CA 1.540 46.602 45.100 -0.063 0.000 0.869 246 G HN 0.927 nan 8.290 nan 0.000 0.502 247 K N -1.372 119.068 120.400 0.066 0.000 2.262 247 K HA 0.254 4.574 4.320 -0.000 0.000 0.200 247 K C 0.883 177.702 176.600 0.366 0.000 1.049 247 K CA 0.891 57.310 56.287 0.220 0.000 0.979 247 K CB 0.695 33.333 32.500 0.230 0.000 0.773 247 K HN 0.348 nan 8.250 nan 0.000 0.474 248 V N 2.088 122.154 119.914 0.252 0.000 2.555 248 V HA 0.336 4.456 4.120 -0.000 0.000 0.302 248 V C -0.494 175.762 176.094 0.270 0.000 1.038 248 V CA -0.977 61.501 62.300 0.298 0.000 0.887 248 V CB 2.165 34.090 31.823 0.169 0.000 0.991 248 V HN 0.107 nan 8.190 nan 0.000 0.434 249 I N 3.909 124.666 120.570 0.313 0.000 2.336 249 I HA 0.446 4.616 4.170 -0.000 0.000 0.292 249 I C -0.364 175.817 176.117 0.108 0.000 0.991 249 I CA -0.286 61.150 61.300 0.226 0.000 1.227 249 I CB 0.886 39.070 38.000 0.307 0.000 1.366 249 I HN 0.606 nan 8.210 nan 0.000 0.466 250 N N 8.868 127.654 118.700 0.143 0.000 2.546 250 N HA 0.420 5.160 4.740 -0.000 0.000 0.238 250 N C -0.925 174.751 175.510 0.276 0.000 0.984 250 N CA -0.205 52.957 53.050 0.186 0.000 0.935 250 N CB 1.474 40.097 38.487 0.226 0.000 1.122 250 N HN 0.499 nan 8.380 nan 0.000 0.510 251 I N 1.142 121.737 120.570 0.042 0.000 2.359 251 I HA 0.602 4.772 4.170 -0.000 0.000 0.294 251 I C 0.902 176.826 176.117 -0.323 0.000 0.987 251 I CA -0.462 60.824 61.300 -0.024 0.000 1.225 251 I CB 1.827 39.790 38.000 -0.061 0.000 1.366 251 I HN 0.376 nan 8.210 nan 0.000 0.466 252 G N 4.137 112.475 108.800 -0.769 0.000 2.506 252 G HA2 0.439 4.399 3.960 -0.000 0.000 0.292 252 G HA3 0.439 4.399 3.960 -0.000 0.000 0.292 252 G C -2.059 172.335 174.900 -0.843 0.000 1.425 252 G CA -0.579 43.781 45.100 -1.233 0.000 0.788 252 G HN 0.223 nan 8.290 nan 0.000 0.490 253 Y N 0.991 121.067 120.300 -0.373 0.000 2.308 253 Y HA 0.307 4.856 4.550 -0.000 0.000 0.329 253 Y C 1.949 177.952 175.900 0.171 0.000 1.111 253 Y CA -0.249 57.780 58.100 -0.118 0.000 1.179 253 Y CB 1.757 40.096 38.460 -0.202 0.000 1.201 253 Y HN 0.833 nan 8.280 nan 0.000 0.483 254 E N 0.563 120.973 120.200 0.350 0.000 2.204 254 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 254 E C 0.565 177.291 176.600 0.211 0.000 0.989 254 E CA 1.427 58.021 56.400 0.322 0.000 0.824 254 E CB -0.132 29.707 29.700 0.232 0.000 0.756 254 E HN 0.696 nan 8.360 nan 0.000 0.477 255 N N 1.164 119.967 118.700 0.172 0.000 2.322 255 N HA -0.059 4.681 4.740 -0.000 0.000 0.194 255 N C -0.394 175.313 175.510 0.328 0.000 1.126 255 N CA 0.087 53.249 53.050 0.186 0.000 0.845 255 N CB 0.090 38.674 38.487 0.162 0.000 0.976 255 N HN 0.047 nan 8.380 nan 0.000 0.475 256 D N 2.414 123.001 120.400 0.312 0.000 2.336 256 D HA 0.141 4.780 4.640 -0.000 0.000 0.249 256 D C -1.464 174.979 176.300 0.238 0.000 1.213 256 D CA -2.090 52.066 54.000 0.259 0.000 0.870 256 D CB 1.693 42.740 40.800 0.412 0.000 1.076 256 D HN 0.059 nan 8.370 nan 0.000 0.483 257 P HA -0.088 nan 4.420 nan 0.000 0.229 257 P C 1.333 178.600 177.300 -0.055 0.000 1.160 257 P CA 0.242 63.298 63.100 -0.073 0.000 0.777 257 P CB 0.537 31.911 31.700 -0.544 0.000 0.814 258 V N -0.646 119.041 119.914 -0.379 0.000 2.591 258 V HA -0.070 4.049 4.120 -0.000 0.000 0.249 258 V C 1.367 177.442 176.094 -0.032 0.000 1.053 258 V CA 0.490 62.549 62.300 -0.401 0.000 1.068 258 V CB -1.188 30.074 31.823 -0.936 0.000 0.689 258 V HN -0.011 nan 8.190 nan 0.000 0.462 259 F N 2.393 122.343 119.950 0.001 0.000 2.533 259 F HA 0.312 4.838 4.527 -0.000 0.000 0.378 259 F C 1.278 177.165 175.800 0.146 0.000 1.070 259 F CA -0.656 57.402 58.000 0.097 0.000 1.172 259 F CB -0.642 38.480 39.000 0.203 0.000 1.085 259 F HN 0.171 nan 8.300 nan 0.000 0.552 260 R N 2.333 122.624 120.500 -0.348 0.000 3.878 260 R HA -0.248 4.092 4.340 -0.000 0.000 0.330 260 R C 1.235 177.298 176.300 -0.395 0.000 1.186 260 R CA 0.579 56.455 56.100 -0.374 0.000 0.885 260 R CB -2.193 27.882 30.300 -0.374 0.000 1.377 260 R HN 0.682 nan 8.270 nan 0.000 0.523 261 A N 0.672 123.170 122.820 -0.536 0.000 1.978 261 A HA -0.019 4.300 4.320 -0.000 0.000 0.220 261 A C 1.104 178.400 177.584 -0.481 0.000 1.170 261 A CA 1.029 52.536 52.037 -0.884 0.000 0.636 261 A CB 0.009 18.730 19.000 -0.464 0.000 0.810 261 A HN 0.277 nan 8.150 nan 0.000 0.448 262 L N -0.579 120.464 121.223 -0.301 0.000 2.344 262 L HA 0.369 4.709 4.340 -0.000 0.000 0.272 262 L C -0.603 176.175 176.870 -0.153 0.000 1.035 262 L CA -0.824 53.895 54.840 -0.201 0.000 0.807 262 L CB 1.214 43.172 42.059 -0.169 0.000 1.237 262 L HN 0.040 nan 8.230 nan 0.000 0.442 263 D N 1.181 121.532 120.400 -0.081 0.000 2.467 263 D HA 0.413 5.052 4.640 -0.000 0.000 0.220 263 D C 0.672 176.951 176.300 -0.035 0.000 1.103 263 D CA 0.856 54.863 54.000 0.013 0.000 0.886 263 D CB 0.839 41.668 40.800 0.049 0.000 1.025 263 D HN 0.718 nan 8.370 nan 0.000 0.514 264 G N 3.623 112.348 108.800 -0.125 0.000 2.950 264 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.299 264 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.299 264 G C 0.829 175.674 174.900 -0.091 0.000 1.310 264 G CA 0.887 45.925 45.100 -0.104 0.000 0.994 264 G HN 0.803 nan 8.290 nan 0.000 0.575 265 T N -2.122 112.400 114.554 -0.053 0.000 3.170 265 T HA 0.635 4.985 4.350 -0.000 0.000 0.288 265 T C 0.470 175.130 174.700 -0.065 0.000 0.992 265 T CA 1.055 63.124 62.100 -0.052 0.000 0.909 265 T CB 0.629 69.488 68.868 -0.014 0.000 1.133 265 T HN 0.805 nan 8.240 nan 0.000 0.530 266 S N 1.941 117.600 115.700 -0.068 0.000 2.525 266 S HA 0.608 5.077 4.470 -0.000 0.000 0.278 266 S C -0.343 174.190 174.600 -0.112 0.000 1.234 266 S CA -0.739 57.416 58.200 -0.075 0.000 1.058 266 S CB 1.197 64.371 63.200 -0.045 0.000 0.983 266 S HN 0.462 nan 8.310 nan 0.000 0.495 267 L N 4.537 125.668 121.223 -0.152 0.000 2.360 267 L HA 0.439 4.779 4.340 -0.000 0.000 0.276 267 L C 0.461 177.264 176.870 -0.111 0.000 1.121 267 L CA 0.635 55.359 54.840 -0.194 0.000 0.845 267 L CB 0.282 42.141 42.059 -0.334 0.000 1.143 267 L HN 0.846 nan 8.230 nan 0.000 0.452 268 T N 1.291 115.798 114.554 -0.079 0.000 2.864 268 T HA 0.315 4.665 4.350 -0.000 0.000 0.289 268 T C 0.739 175.438 174.700 -0.001 0.000 1.082 268 T CA -0.745 61.338 62.100 -0.030 0.000 1.009 268 T CB 0.823 69.683 68.868 -0.013 0.000 1.234 268 T HN 0.453 nan 8.240 nan 0.000 0.526 269 L N 1.364 122.600 121.223 0.021 0.000 2.013 269 L HA 0.139 4.478 4.340 -0.000 0.000 0.212 269 L C -0.857 176.056 176.870 0.071 0.000 1.073 269 L CA 1.967 56.834 54.840 0.045 0.000 0.753 269 L CB -1.598 40.487 42.059 0.044 0.000 0.890 269 L HN 0.593 nan 8.230 nan 0.000 0.432 270 P HA -0.087 nan 4.420 nan 0.000 0.223 270 P C 1.713 179.136 177.300 0.205 0.000 1.144 270 P CA 1.172 64.354 63.100 0.137 0.000 0.783 270 P CB -0.078 31.700 31.700 0.129 0.000 0.771 271 S N -0.533 115.219 115.700 0.088 0.000 2.419 271 S HA -0.094 4.376 4.470 -0.000 0.000 0.235 271 S C 1.461 176.142 174.600 0.134 0.000 1.019 271 S CA 0.999 59.208 58.200 0.014 0.000 0.982 271 S CB -0.733 62.416 63.200 -0.085 0.000 0.789 271 S HN 0.236 nan 8.310 nan 0.000 0.490 272 L N 0.225 121.539 121.223 0.150 0.000 2.628 272 L HA 0.311 4.651 4.340 -0.000 0.000 0.229 272 L C 1.222 178.197 176.870 0.174 0.000 1.137 272 L CA -0.166 54.768 54.840 0.157 0.000 0.909 272 L CB -0.023 42.116 42.059 0.134 0.000 1.137 272 L HN 0.313 nan 8.230 nan 0.000 0.470 273 G N -0.556 108.381 108.800 0.228 0.000 3.253 273 G HA2 0.409 4.369 3.960 -0.000 0.000 0.175 273 G HA3 0.409 4.369 3.960 -0.000 0.000 0.175 273 G C -0.841 174.233 174.900 0.291 0.000 1.098 273 G CA -0.282 44.956 45.100 0.230 0.000 0.790 273 G HN -0.260 nan 8.290 nan 0.000 0.648 274 V N 2.459 122.494 119.914 0.201 0.000 2.488 274 V HA 0.307 4.427 4.120 -0.000 0.000 0.277 274 V C -0.353 175.732 176.094 -0.016 0.000 1.046 274 V CA -0.201 62.099 62.300 -0.001 0.000 0.986 274 V CB 0.592 32.356 31.823 -0.099 0.000 0.989 274 V HN 0.739 nan 8.190 nan 0.000 0.475 275 H N 1.943 121.066 119.070 0.089 0.000 2.380 275 H HA 0.400 4.956 4.556 -0.000 0.000 0.231 275 H C -0.615 174.717 175.328 0.007 0.000 1.415 275 H CA -0.560 55.513 56.048 0.042 0.000 1.433 275 H CB 0.782 30.575 29.762 0.051 0.000 1.544 275 H HN 0.606 nan 8.280 nan 0.000 0.503 276 D N 2.140 122.548 120.400 0.015 0.000 2.462 276 D HA 0.218 4.857 4.640 -0.000 0.000 0.221 276 D C 0.672 176.963 176.300 -0.015 0.000 1.173 276 D CA -0.289 53.712 54.000 0.001 0.000 0.831 276 D CB 0.362 41.142 40.800 -0.034 0.000 1.001 276 D HN 0.672 nan 8.370 nan 0.000 0.499 277 A N 1.663 124.457 122.820 -0.044 0.000 2.520 277 A HA 0.379 4.699 4.320 -0.000 0.000 0.245 277 A C -2.113 175.352 177.584 -0.199 0.000 1.072 277 A CA -0.822 51.148 52.037 -0.112 0.000 0.761 277 A CB -0.039 18.877 19.000 -0.140 0.000 1.004 277 A HN 0.198 nan 8.150 nan 0.000 0.499 278 P HA 0.192 nan 4.420 nan 0.000 0.275 278 P C -0.741 176.413 177.300 -0.243 0.000 1.227 278 P CA 0.205 63.233 63.100 -0.120 0.000 0.781 278 P CB 0.590 32.271 31.700 -0.032 0.000 0.906 279 H N 0.972 120.032 119.070 -0.017 0.000 2.499 279 H HA 0.137 4.693 4.556 -0.000 0.000 0.340 279 H C 1.493 176.819 175.328 -0.003 0.000 1.148 279 H CA -0.033 55.999 56.048 -0.026 0.000 1.215 279 H CB 1.760 31.486 29.762 -0.060 0.000 1.529 279 H HN 0.419 nan 8.280 nan 0.000 0.510 280 T N -0.843 113.787 114.554 0.127 0.000 2.788 280 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 280 T C 1.791 176.534 174.700 0.071 0.000 1.044 280 T CA 1.543 63.683 62.100 0.067 0.000 1.139 280 T CB -0.204 68.682 68.868 0.030 0.000 0.867 280 T HN 0.494 nan 8.240 nan 0.000 0.454 281 S N 0.818 116.565 115.700 0.078 0.000 2.593 281 S HA 0.616 5.086 4.470 -0.000 0.000 0.217 281 S C 0.722 175.402 174.600 0.134 0.000 0.966 281 S CA -0.310 57.939 58.200 0.081 0.000 0.914 281 S CB -0.264 62.965 63.200 0.047 0.000 0.776 281 S HN 0.846 nan 8.310 nan 0.000 0.523 282 A N 2.021 124.938 122.820 0.162 0.000 2.320 282 A HA 0.659 4.979 4.320 -0.000 0.000 0.334 282 A C 0.322 178.057 177.584 0.252 0.000 1.147 282 A CA -0.548 51.636 52.037 0.245 0.000 0.820 282 A CB 0.702 19.833 19.000 0.219 0.000 1.218 282 A HN 0.470 nan 8.150 nan 0.000 0.482 283 T N 0.357 115.106 114.554 0.325 0.000 2.776 283 T HA 0.176 4.526 4.350 -0.000 0.000 0.292 283 T C 0.258 175.145 174.700 0.312 0.000 0.921 283 T CA -0.562 61.691 62.100 0.255 0.000 1.038 283 T CB -0.128 68.882 68.868 0.237 0.000 0.910 283 T HN 0.536 nan 8.240 nan 0.000 0.536 284 N N 3.119 121.951 118.700 0.220 0.000 2.412 284 N HA 0.002 4.742 4.740 -0.000 0.000 0.184 284 N C 0.133 175.765 175.510 0.204 0.000 1.101 284 N CA 0.123 53.307 53.050 0.222 0.000 0.881 284 N CB 0.243 38.813 38.487 0.138 0.000 0.969 284 N HN 0.609 nan 8.380 nan 0.000 0.459 285 N N 0.623 119.413 118.700 0.149 0.000 2.517 285 N HA 0.239 4.979 4.740 -0.000 0.000 0.285 285 N C -0.623 174.904 175.510 0.027 0.000 1.528 285 N CA -0.056 53.044 53.050 0.083 0.000 0.892 285 N CB 1.325 39.816 38.487 0.007 0.000 1.356 285 N HN 0.120 nan 8.380 nan 0.000 0.495 286 I N 1.039 121.668 120.570 0.098 0.000 2.315 286 I HA 0.286 4.456 4.170 -0.000 0.000 0.291 286 I C 0.099 176.326 176.117 0.183 0.000 1.006 286 I CA -0.830 60.533 61.300 0.105 0.000 1.265 286 I CB 1.496 39.536 38.000 0.067 0.000 1.387 286 I HN -0.326 nan 8.210 nan 0.000 0.475 287 V N 5.664 125.637 119.914 0.099 0.000 2.427 287 V HA 0.194 4.314 4.120 -0.000 0.000 0.286 287 V C 0.291 176.258 176.094 -0.211 0.000 1.034 287 V CA -0.673 61.580 62.300 -0.078 0.000 0.893 287 V CB 1.608 33.319 31.823 -0.187 0.000 0.982 287 V HN 0.667 nan 8.190 nan 0.000 0.452 288 N N 4.139 122.485 118.700 -0.589 0.000 2.482 288 N HA 0.106 4.846 4.740 -0.000 0.000 0.242 288 N C -0.742 174.381 175.510 -0.645 0.000 1.100 288 N CA -0.294 52.158 53.050 -0.997 0.000 0.946 288 N CB 0.101 37.645 38.487 -1.573 0.000 1.227 288 N HN 0.563 nan 8.380 nan 0.000 0.508 289 F N 4.393 124.053 119.950 -0.483 0.000 2.619 289 F HA 0.197 4.724 4.527 -0.000 0.000 0.350 289 F C 0.219 175.933 175.800 -0.143 0.000 1.259 289 F CA -0.668 57.170 58.000 -0.270 0.000 1.204 289 F CB -0.305 38.638 39.000 -0.095 0.000 1.556 289 F HN 0.468 nan 8.300 nan 0.000 0.650 290 N N 0.950 119.471 118.700 -0.299 0.000 2.741 290 N HA 0.246 4.986 4.740 -0.000 0.000 0.310 290 N C 0.407 175.891 175.510 -0.042 0.000 1.295 290 N CA -0.722 52.234 53.050 -0.158 0.000 0.893 290 N CB 0.285 38.455 38.487 -0.528 0.000 1.247 290 N HN 0.078 nan 8.380 nan 0.000 0.596 291 D N -1.617 118.886 120.400 0.171 0.000 2.182 291 D HA -0.191 4.449 4.640 -0.000 0.000 0.201 291 D C 1.320 177.728 176.300 0.179 0.000 0.986 291 D CA 1.248 55.382 54.000 0.223 0.000 0.847 291 D CB -0.360 40.676 40.800 0.394 0.000 0.942 291 D HN 0.619 nan 8.370 nan 0.000 0.467 292 H N -0.615 118.410 119.070 -0.074 0.000 2.299 292 H HA -0.169 4.387 4.556 -0.000 0.000 0.302 292 H C 1.991 177.313 175.328 -0.010 0.000 1.078 292 H CA 1.292 57.272 56.048 -0.112 0.000 1.323 292 H CB -0.443 29.077 29.762 -0.403 0.000 1.381 292 H HN 0.200 nan 8.280 nan 0.000 0.498 293 Y N 1.137 121.366 120.300 -0.118 0.000 2.207 293 Y HA -0.192 4.358 4.550 -0.000 0.000 0.287 293 Y C 2.653 178.353 175.900 -0.334 0.000 1.156 293 Y CA 1.929 59.901 58.100 -0.214 0.000 1.182 293 Y CB -0.485 37.770 38.460 -0.342 0.000 0.979 293 Y HN 0.306 nan 8.280 nan 0.000 0.521 294 A N -1.056 121.573 122.820 -0.318 0.000 2.066 294 A HA -0.005 4.314 4.320 -0.000 0.000 0.218 294 A C 1.451 178.986 177.584 -0.081 0.000 1.157 294 A CA 0.842 52.709 52.037 -0.283 0.000 0.670 294 A CB -0.699 18.203 19.000 -0.164 0.000 0.804 294 A HN 0.301 nan 8.150 nan 0.000 0.453 295 S N 0.313 115.996 115.700 -0.027 0.000 2.416 295 S HA 0.227 4.697 4.470 -0.000 0.000 0.287 295 S C 0.337 174.938 174.600 0.001 0.000 1.139 295 S CA -0.607 57.632 58.200 0.064 0.000 1.058 295 S CB 0.213 63.577 63.200 0.273 0.000 0.967 295 S HN 0.351 nan 8.310 nan 0.000 0.495 296 D N 4.683 125.080 120.400 -0.006 0.000 2.123 296 D HA -0.086 4.553 4.640 -0.000 0.000 0.196 296 D C 2.114 178.406 176.300 -0.014 0.000 0.992 296 D CA 1.648 55.636 54.000 -0.019 0.000 0.833 296 D CB -0.377 40.416 40.800 -0.011 0.000 0.954 296 D HN 0.682 nan 8.370 nan 0.000 0.455 297 A N 0.001 122.802 122.820 -0.031 0.000 1.877 297 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 297 A C 2.229 179.768 177.584 -0.075 0.000 1.186 297 A CA 1.238 53.222 52.037 -0.089 0.000 0.620 297 A CB -1.295 17.600 19.000 -0.175 0.000 0.822 297 A HN 0.330 nan 8.150 nan 0.000 0.443 298 W N 0.388 121.656 121.300 -0.053 0.000 2.342 298 W HA -0.106 4.553 4.660 -0.000 0.000 0.297 298 W C 1.682 178.157 176.519 -0.073 0.000 1.213 298 W CA 1.048 58.354 57.345 -0.066 0.000 1.251 298 W CB -0.059 29.265 29.460 -0.227 0.000 1.136 298 W HN 0.324 nan 8.180 nan 0.000 0.526 299 N N 0.404 119.175 118.700 0.117 0.000 2.370 299 N HA 0.039 4.779 4.740 -0.000 0.000 0.198 299 N C 1.284 176.846 175.510 0.087 0.000 1.156 299 N CA 0.503 53.605 53.050 0.086 0.000 0.839 299 N CB -0.120 38.359 38.487 -0.014 0.000 0.989 299 N HN 0.271 nan 8.380 nan 0.000 0.468 300 L N 0.217 121.486 121.223 0.077 0.000 2.376 300 L HA 0.036 4.376 4.340 -0.000 0.000 0.219 300 L C 0.764 177.690 176.870 0.094 0.000 1.133 300 L CA 0.626 55.502 54.840 0.060 0.000 0.816 300 L CB -0.080 41.994 42.059 0.025 0.000 0.933 300 L HN 0.059 nan 8.230 nan 0.000 0.449 301 L N 0.155 121.469 121.223 0.151 0.000 2.375 301 L HA 0.294 4.634 4.340 -0.000 0.000 0.271 301 L C -2.056 174.925 176.870 0.184 0.000 1.107 301 L CA -2.083 52.861 54.840 0.173 0.000 0.806 301 L CB 0.243 42.448 42.059 0.244 0.000 1.146 301 L HN -0.214 nan 8.230 nan 0.000 0.447 302 P HA 0.022 nan 4.420 nan 0.000 0.271 302 P C -0.714 176.717 177.300 0.217 0.000 1.216 302 P CA -0.204 63.000 63.100 0.173 0.000 0.771 302 P CB 0.281 32.061 31.700 0.134 0.000 0.864 303 F N 2.975 122.985 119.950 0.101 0.000 2.543 303 F HA 0.338 4.865 4.527 -0.000 0.000 0.375 303 F C 0.478 176.324 175.800 0.077 0.000 1.075 303 F CA 1.216 59.273 58.000 0.095 0.000 1.225 303 F CB 0.306 39.342 39.000 0.060 0.000 1.099 303 F HN 0.266 nan 8.300 nan 0.000 0.561 304 S N 6.005 121.467 115.700 -0.397 0.000 2.578 304 S HA 0.199 4.668 4.470 -0.000 0.000 0.285 304 S C 0.327 174.805 174.600 -0.202 0.000 1.126 304 S CA -0.855 57.243 58.200 -0.170 0.000 0.878 304 S CB 0.761 63.978 63.200 0.029 0.000 1.091 304 S HN 0.847 nan 8.310 nan 0.000 0.450 305 I N 3.879 124.415 120.570 -0.057 0.000 2.657 305 I HA -0.085 4.085 4.170 -0.000 0.000 0.261 305 I C 1.147 177.451 176.117 0.311 0.000 1.212 305 I CA 1.321 62.677 61.300 0.094 0.000 1.453 305 I CB -0.010 38.054 38.000 0.107 0.000 1.092 305 I HN 0.719 nan 8.210 nan 0.000 0.452 306 L N 0.012 121.335 121.223 0.167 0.000 2.558 306 L HA 0.023 4.362 4.340 -0.000 0.000 0.225 306 L C 0.784 177.719 176.870 0.107 0.000 1.128 306 L CA 0.021 54.944 54.840 0.138 0.000 0.868 306 L CB -0.615 41.505 42.059 0.101 0.000 1.006 306 L HN 0.216 nan 8.230 nan 0.000 0.454 307 N N 1.225 119.989 118.700 0.107 0.000 2.521 307 N HA 0.076 4.816 4.740 -0.000 0.000 0.236 307 N C 1.008 176.596 175.510 0.130 0.000 1.067 307 N CA -0.153 52.954 53.050 0.096 0.000 0.939 307 N CB 0.691 39.217 38.487 0.065 0.000 1.201 307 N HN -0.048 nan 8.380 nan 0.000 0.511 308 I N 4.361 124.977 120.570 0.077 0.000 2.208 308 I HA -0.137 4.033 4.170 -0.000 0.000 0.245 308 I C -0.675 175.502 176.117 0.100 0.000 1.097 308 I CA 0.825 62.127 61.300 0.003 0.000 1.363 308 I CB -2.199 35.745 38.000 -0.092 0.000 1.051 308 I HN 0.420 nan 8.210 nan 0.000 0.413 309 P HA -0.158 nan 4.420 nan 0.000 0.218 309 P C 1.720 178.895 177.300 -0.209 0.000 1.146 309 P CA 2.014 65.120 63.100 0.010 0.000 0.813 309 P CB -0.331 31.271 31.700 -0.163 0.000 0.778 310 T N -5.854 108.556 114.554 -0.239 0.000 3.007 310 T HA -0.151 4.199 4.350 -0.000 0.000 0.270 310 T C 1.330 175.873 174.700 -0.261 0.000 1.107 310 T CA 0.432 62.230 62.100 -0.504 0.000 1.118 310 T CB -1.166 67.418 68.868 -0.474 0.000 0.889 310 T HN 0.060 nan 8.240 nan 0.000 0.506 311 W N 0.789 121.936 121.300 -0.255 0.000 2.611 311 W HA 0.289 4.949 4.660 -0.000 0.000 0.251 311 W C 1.881 178.312 176.519 -0.146 0.000 1.265 311 W CA -0.547 56.716 57.345 -0.136 0.000 1.295 311 W CB -0.803 28.620 29.460 -0.062 0.000 1.129 311 W HN 0.259 nan 8.180 nan 0.000 0.630 312 L N 0.564 121.728 121.223 -0.099 0.000 2.051 312 L HA -0.285 4.055 4.340 -0.000 0.000 0.214 312 L C 2.111 178.838 176.870 -0.239 0.000 1.076 312 L CA 2.231 56.903 54.840 -0.280 0.000 0.758 312 L CB -1.033 40.575 42.059 -0.751 0.000 0.890 312 L HN -0.219 nan 8.230 nan 0.000 0.433 313 S N -2.009 113.518 115.700 -0.289 0.000 2.555 313 S HA -0.149 4.321 4.470 -0.000 0.000 0.230 313 S C 1.610 176.232 174.600 0.038 0.000 0.978 313 S CA 0.934 58.943 58.200 -0.319 0.000 0.934 313 S CB -0.613 62.425 63.200 -0.270 0.000 0.766 313 S HN 0.701 nan 8.310 nan 0.000 0.533 314 H N 0.757 119.837 119.070 0.017 0.000 2.563 314 H HA 0.360 4.916 4.556 -0.000 0.000 0.264 314 H C 0.291 175.725 175.328 0.177 0.000 0.957 314 H CA -0.160 55.980 56.048 0.154 0.000 1.173 314 H CB -0.083 29.641 29.762 -0.062 0.000 1.420 314 H HN 0.224 nan 8.280 nan 0.000 0.551 315 L N 2.053 123.257 121.223 -0.031 0.000 2.490 315 L HA 0.075 4.415 4.340 -0.000 0.000 0.274 315 L C -1.168 175.417 176.870 -0.475 0.000 1.201 315 L CA -1.278 53.337 54.840 -0.375 0.000 0.869 315 L CB 0.667 42.339 42.059 -0.645 0.000 1.123 315 L HN 0.174 nan 8.230 nan 0.000 0.484 316 P HA -0.216 nan 4.420 nan 0.000 0.218 316 P C 1.354 178.442 177.300 -0.354 0.000 1.148 316 P CA 1.347 63.981 63.100 -0.777 0.000 0.822 316 P CB 0.030 31.099 31.700 -1.051 0.000 0.784 317 F N -2.722 117.032 119.950 -0.326 0.000 2.234 317 F HA -0.043 4.484 4.527 -0.000 0.000 0.299 317 F C 1.744 177.473 175.800 -0.119 0.000 1.087 317 F CA 0.821 58.679 58.000 -0.236 0.000 1.340 317 F CB -1.754 37.086 39.000 -0.267 0.000 1.031 317 F HN -0.232 nan 8.300 nan 0.000 0.500 318 F N -0.011 119.550 119.950 -0.648 0.000 2.186 318 F HA -0.087 4.439 4.527 -0.000 0.000 0.299 318 F C 2.188 177.998 175.800 0.017 0.000 1.090 318 F CA 0.927 58.737 58.000 -0.316 0.000 1.307 318 F CB -1.359 37.347 39.000 -0.490 0.000 1.019 318 F HN -0.040 nan 8.300 nan 0.000 0.489 319 Y N -0.078 120.276 120.300 0.090 0.000 2.114 319 Y HA -0.240 4.310 4.550 -0.000 0.000 0.284 319 Y C 2.748 178.598 175.900 -0.084 0.000 1.143 319 Y CA 1.809 59.904 58.100 -0.008 0.000 1.135 319 Y CB -0.936 37.414 38.460 -0.182 0.000 0.980 319 Y HN -0.013 nan 8.280 nan 0.000 0.499 320 Q N 0.776 120.587 119.800 0.018 0.000 2.002 320 Q HA -0.263 4.076 4.340 -0.000 0.000 0.204 320 Q C 1.730 177.769 176.000 0.065 0.000 0.988 320 Q CA 2.390 58.176 55.803 -0.028 0.000 0.843 320 Q CB -0.574 28.142 28.738 -0.036 0.000 0.908 320 Q HN 0.589 nan 8.270 nan 0.000 0.420 321 D N -1.501 118.978 120.400 0.131 0.000 2.123 321 D HA -0.053 4.586 4.640 -0.000 0.000 0.200 321 D C 1.805 178.221 176.300 0.194 0.000 0.976 321 D CA 1.433 55.532 54.000 0.165 0.000 0.831 321 D CB -0.381 40.549 40.800 0.217 0.000 0.974 321 D HN 0.388 nan 8.370 nan 0.000 0.469 322 G N 0.387 109.330 108.800 0.239 0.000 2.404 322 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.215 322 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.215 322 G C 1.623 176.663 174.900 0.233 0.000 1.174 322 G CA 0.475 45.734 45.100 0.265 0.000 0.780 322 G HN 0.301 nan 8.290 nan 0.000 0.537 323 L N 0.152 121.493 121.223 0.195 0.000 2.217 323 L HA 0.035 4.374 4.340 -0.000 0.000 0.211 323 L C 2.918 179.978 176.870 0.317 0.000 1.107 323 L CA 0.266 55.256 54.840 0.250 0.000 0.783 323 L CB -0.302 41.900 42.059 0.239 0.000 0.919 323 L HN 0.139 nan 8.230 nan 0.000 0.442 324 M N -0.466 119.283 119.600 0.248 0.000 2.229 324 M HA -0.130 4.350 4.480 -0.000 0.000 0.264 324 M C 2.294 178.696 176.300 0.170 0.000 1.063 324 M CA 1.525 56.958 55.300 0.220 0.000 1.114 324 M CB -0.934 31.754 32.600 0.147 0.000 1.387 324 M HN 0.192 nan 8.290 nan 0.000 0.420 325 R N -0.551 120.048 120.500 0.166 0.000 2.092 325 R HA -0.071 4.268 4.340 -0.000 0.000 0.231 325 R C 2.219 178.607 176.300 0.146 0.000 1.119 325 R CA 0.995 57.181 56.100 0.144 0.000 0.970 325 R CB -0.325 30.066 30.300 0.151 0.000 0.864 325 R HN 0.200 nan 8.270 nan 0.000 0.440 326 V N 1.392 121.412 119.914 0.177 0.000 2.261 326 V HA -0.255 3.864 4.120 -0.000 0.000 0.246 326 V C 2.228 178.410 176.094 0.147 0.000 1.047 326 V CA 1.671 64.064 62.300 0.155 0.000 1.015 326 V CB -0.510 31.419 31.823 0.176 0.000 0.642 326 V HN 0.258 nan 8.190 nan 0.000 0.446 327 L N 0.797 122.111 121.223 0.152 0.000 2.043 327 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 327 L C 1.815 178.587 176.870 -0.163 0.000 1.075 327 L CA 2.245 57.034 54.840 -0.085 0.000 0.752 327 L CB -0.794 41.276 42.059 0.018 0.000 0.891 327 L HN 0.404 nan 8.230 nan 0.000 0.432 328 N N -1.335 117.359 118.700 -0.010 0.000 2.383 328 N HA 0.014 4.754 4.740 -0.000 0.000 0.192 328 N C 0.196 175.716 175.510 0.018 0.000 1.141 328 N CA 0.041 53.086 53.050 -0.008 0.000 0.851 328 N CB 0.136 38.639 38.487 0.026 0.000 0.976 328 N HN 0.236 nan 8.380 nan 0.000 0.465 329 S N 0.699 116.434 115.700 0.058 0.000 2.560 329 S HA -0.004 4.466 4.470 -0.000 0.000 0.284 329 S C 1.214 175.823 174.600 0.015 0.000 1.327 329 S CA -0.256 57.988 58.200 0.074 0.000 1.055 329 S CB 0.705 63.995 63.200 0.150 0.000 0.868 329 S HN 0.216 nan 8.310 nan 0.000 0.506 330 E N 2.650 122.777 120.200 -0.121 0.000 2.267 330 E HA -0.144 4.205 4.350 -0.000 0.000 0.197 330 E C 0.380 176.836 176.600 -0.240 0.000 0.998 330 E CA 1.235 57.480 56.400 -0.257 0.000 0.830 330 E CB -0.123 29.276 29.700 -0.502 0.000 0.751 330 E HN 0.785 nan 8.360 nan 0.000 0.491 331 F N -1.174 118.832 119.950 0.094 0.000 2.727 331 F HA 0.080 4.607 4.527 -0.000 0.000 0.302 331 F C 1.591 177.339 175.800 -0.086 0.000 1.097 331 F CA -0.457 57.577 58.000 0.057 0.000 1.330 331 F CB -0.388 38.723 39.000 0.185 0.000 1.084 331 F HN 0.021 nan 8.300 nan 0.000 0.578 332 Y N 1.602 121.877 120.300 -0.041 0.000 2.151 332 Y HA -0.345 4.205 4.550 -0.000 0.000 0.284 332 Y C 2.619 178.408 175.900 -0.187 0.000 1.166 332 Y CA 1.948 59.940 58.100 -0.179 0.000 1.163 332 Y CB -0.389 37.987 38.460 -0.140 0.000 0.974 332 Y HN 0.112 nan 8.280 nan 0.000 0.511 333 S N -0.674 115.028 115.700 0.003 0.000 2.507 333 S HA -0.109 4.361 4.470 -0.000 0.000 0.235 333 S C 1.574 176.096 174.600 -0.131 0.000 0.988 333 S CA 1.166 59.353 58.200 -0.021 0.000 0.944 333 S CB -0.756 62.507 63.200 0.106 0.000 0.762 333 S HN 0.539 nan 8.310 nan 0.000 0.526 334 L N 1.916 122.991 121.223 -0.247 0.000 2.567 334 L HA 0.168 4.508 4.340 -0.000 0.000 0.225 334 L C 1.236 177.619 176.870 -0.811 0.000 1.119 334 L CA 0.264 54.823 54.840 -0.467 0.000 0.871 334 L CB -0.478 41.420 42.059 -0.267 0.000 1.036 334 L HN 0.448 nan 8.230 nan 0.000 0.459 335 T N -3.220 110.857 114.554 -0.794 0.000 2.899 335 T HA 0.378 4.727 4.350 -0.000 0.000 0.284 335 T C -0.333 174.046 174.700 -0.534 0.000 1.004 335 T CA -0.807 60.776 62.100 -0.862 0.000 1.043 335 T CB 2.025 70.213 68.868 -1.133 0.000 1.013 335 T HN -0.098 nan 8.240 nan 0.000 0.518 336 D N 0.027 120.214 120.400 -0.356 0.000 2.531 336 D HA 0.267 4.907 4.640 -0.000 0.000 0.244 336 D C 0.951 177.146 176.300 -0.175 0.000 1.090 336 D CA -0.872 53.028 54.000 -0.166 0.000 0.989 336 D CB 2.306 43.105 40.800 -0.001 0.000 1.433 336 D HN 0.682 nan 8.370 nan 0.000 0.492 337 K N 0.006 120.355 120.400 -0.085 0.000 2.089 337 K HA -0.190 4.130 4.320 -0.000 0.000 0.210 337 K C 0.190 176.782 176.600 -0.014 0.000 1.048 337 K CA 1.628 57.897 56.287 -0.031 0.000 0.926 337 K CB 0.158 32.677 32.500 0.032 0.000 0.714 337 K HN 0.271 nan 8.250 nan 0.000 0.448 338 D N 0.527 120.925 120.400 -0.002 0.000 2.463 338 D HA 0.088 4.728 4.640 -0.000 0.000 0.224 338 D C -0.549 175.758 176.300 0.012 0.000 1.174 338 D CA 0.051 54.066 54.000 0.024 0.000 0.829 338 D CB 0.676 41.505 40.800 0.048 0.000 0.993 338 D HN 0.033 nan 8.370 nan 0.000 0.497 339 S N 0.532 116.212 115.700 -0.034 0.000 2.558 339 S HA 0.048 4.518 4.470 -0.000 0.000 0.288 339 S C 0.624 175.229 174.600 0.010 0.000 1.318 339 S CA 0.196 58.399 58.200 0.005 0.000 1.056 339 S CB 0.740 63.869 63.200 -0.119 0.000 0.853 339 S HN 0.101 nan 8.310 nan 0.000 0.505 340 T N 4.511 119.097 114.554 0.053 0.000 2.752 340 T HA 0.335 4.685 4.350 -0.000 0.000 0.295 340 T C 0.083 174.825 174.700 0.071 0.000 0.923 340 T CA 0.111 62.171 62.100 -0.066 0.000 1.112 340 T CB -0.477 68.291 68.868 -0.166 0.000 0.884 340 T HN 0.378 nan 8.240 nan 0.000 0.525 341 I N 4.708 125.287 120.570 0.014 0.000 2.447 341 I HA 0.373 4.543 4.170 -0.000 0.000 0.287 341 I C -0.622 175.537 176.117 0.070 0.000 1.023 341 I CA -1.022 60.328 61.300 0.082 0.000 1.083 341 I CB 1.834 39.839 38.000 0.008 0.000 1.245 341 I HN 0.345 nan 8.210 nan 0.000 0.434 342 I N 7.093 127.721 120.570 0.097 0.000 2.330 342 I HA 0.304 4.474 4.170 -0.000 0.000 0.289 342 I C 0.010 176.182 176.117 0.092 0.000 1.001 342 I CA -0.718 60.629 61.300 0.078 0.000 1.193 342 I CB 1.429 39.467 38.000 0.063 0.000 1.345 342 I HN 0.148 nan 8.210 nan 0.000 0.461 343 V N 5.088 125.060 119.914 0.096 0.000 2.350 343 V HA 0.212 4.331 4.120 -0.000 0.000 0.276 343 V C 0.790 176.947 176.094 0.104 0.000 1.028 343 V CA -0.607 61.764 62.300 0.118 0.000 0.860 343 V CB 1.476 33.407 31.823 0.180 0.000 0.990 343 V HN 0.845 nan 8.190 nan 0.000 0.453 344 S N 4.753 120.522 115.700 0.115 0.000 2.481 344 S HA 0.170 4.640 4.470 -0.000 0.000 0.282 344 S C 0.540 175.259 174.600 0.198 0.000 1.243 344 S CA -0.175 58.112 58.200 0.146 0.000 1.078 344 S CB -0.232 63.025 63.200 0.096 0.000 0.916 344 S HN 0.771 nan 8.310 nan 0.000 0.495 345 N N 4.801 123.638 118.700 0.229 0.000 2.588 345 N HA 0.247 4.987 4.740 -0.000 0.000 0.298 345 N C -0.860 174.903 175.510 0.422 0.000 1.718 345 N CA -0.189 53.036 53.050 0.292 0.000 0.888 345 N CB 0.443 38.925 38.487 -0.009 0.000 1.389 345 N HN 0.529 nan 8.380 nan 0.000 0.491 346 L N 0.827 122.282 121.223 0.387 0.000 2.453 346 L HA 0.300 4.639 4.340 -0.000 0.000 0.261 346 L C 1.398 178.437 176.870 0.281 0.000 1.179 346 L CA -0.302 54.745 54.840 0.345 0.000 0.813 346 L CB 0.685 42.903 42.059 0.264 0.000 1.110 346 L HN 0.152 nan 8.230 nan 0.000 0.466 347 S N 0.302 116.005 115.700 0.005 0.000 2.634 347 S HA 0.129 4.599 4.470 -0.000 0.000 0.261 347 S C 0.785 175.387 174.600 0.004 0.000 1.271 347 S CA -0.689 57.378 58.200 -0.223 0.000 0.985 347 S CB 0.650 63.526 63.200 -0.540 0.000 0.968 347 S HN 0.592 nan 8.310 nan 0.000 0.568 348 N N 0.261 118.972 118.700 0.018 0.000 2.381 348 N HA -0.044 4.696 4.740 -0.000 0.000 0.182 348 N C 1.515 177.031 175.510 0.010 0.000 1.025 348 N CA 0.715 53.784 53.050 0.032 0.000 0.888 348 N CB -0.798 37.709 38.487 0.033 0.000 0.965 348 N HN 0.456 nan 8.380 nan 0.000 0.438 349 V N 0.378 120.288 119.914 -0.007 0.000 2.548 349 V HA -0.106 4.014 4.120 -0.000 0.000 0.249 349 V C 2.207 178.315 176.094 0.024 0.000 1.055 349 V CA 2.047 64.351 62.300 0.008 0.000 1.065 349 V CB -0.677 31.153 31.823 0.011 0.000 0.681 349 V HN 0.504 nan 8.190 nan 0.000 0.462 350 T N -2.814 111.761 114.554 0.035 0.000 2.990 350 T HA 0.046 4.396 4.350 -0.000 0.000 0.249 350 T C 1.843 176.567 174.700 0.040 0.000 1.039 350 T CA 0.183 62.318 62.100 0.059 0.000 1.036 350 T CB -0.070 68.862 68.868 0.108 0.000 0.994 350 T HN 0.266 nan 8.240 nan 0.000 0.489 351 R N 1.340 121.861 120.500 0.034 0.000 2.105 351 R HA -0.006 4.333 4.340 -0.000 0.000 0.239 351 R C 2.375 178.629 176.300 -0.076 0.000 1.135 351 R CA 1.691 57.794 56.100 0.006 0.000 0.967 351 R CB -0.735 29.580 30.300 0.025 0.000 0.861 351 R HN 0.515 nan 8.270 nan 0.000 0.442 352 G N -0.667 108.093 108.800 -0.067 0.000 2.920 352 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.208 352 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.208 352 G C 0.333 175.152 174.900 -0.135 0.000 1.159 352 G CA 0.405 45.440 45.100 -0.109 0.000 0.784 352 G HN 0.625 nan 8.290 nan 0.000 0.535 353 N N -1.966 116.669 118.700 -0.109 0.000 2.082 353 N HA 0.118 4.858 4.740 -0.000 0.000 0.228 353 N C -0.209 175.267 175.510 -0.057 0.000 1.341 353 N CA -0.151 52.852 53.050 -0.077 0.000 0.873 353 N CB 0.704 39.187 38.487 -0.006 0.000 1.137 353 N HN -0.101 nan 8.380 nan 0.000 0.505 354 T N 0.561 115.059 114.554 -0.094 0.000 2.812 354 T HA 0.297 4.647 4.350 -0.000 0.000 0.282 354 T C -1.246 173.415 174.700 -0.066 0.000 0.990 354 T CA -0.385 61.737 62.100 0.037 0.000 0.960 354 T CB 0.767 69.739 68.868 0.173 0.000 0.948 354 T HN 0.135 nan 8.240 nan 0.000 0.438 355 W N 2.608 123.960 121.300 0.087 0.000 2.304 355 W HA 0.431 5.091 4.660 -0.000 0.000 0.313 355 W C -0.028 176.432 176.519 -0.098 0.000 1.323 355 W CA -0.674 56.670 57.345 -0.001 0.000 1.223 355 W CB 0.431 29.888 29.460 -0.004 0.000 1.237 355 W HN 0.307 nan 8.180 nan 0.000 0.535 356 V N 5.121 124.946 119.914 -0.148 0.000 2.439 356 V HA 0.161 4.280 4.120 -0.000 0.000 0.271 356 V C 0.172 176.036 176.094 -0.382 0.000 1.040 356 V CA -0.275 61.574 62.300 -0.752 0.000 1.002 356 V CB -0.403 31.082 31.823 -0.563 0.000 1.000 356 V HN 0.626 nan 8.190 nan 0.000 0.477 357 E N 2.522 122.479 120.200 -0.405 0.000 2.430 357 E HA 0.383 4.733 4.350 -0.000 0.000 0.279 357 E C -1.410 175.297 176.600 0.178 0.000 1.003 357 E CA -1.033 55.367 56.400 -0.000 0.000 0.801 357 E CB 1.639 31.406 29.700 0.112 0.000 1.313 357 E HN 0.331 nan 8.360 nan 0.000 0.459 358 D N 1.722 122.240 120.400 0.196 0.000 2.435 358 D HA 0.134 4.774 4.640 -0.000 0.000 0.230 358 D C 0.546 177.029 176.300 0.305 0.000 1.215 358 D CA -0.084 54.095 54.000 0.297 0.000 0.947 358 D CB 0.298 41.252 40.800 0.257 0.000 1.048 358 D HN 0.525 nan 8.370 nan 0.000 0.512 359 L N 2.906 124.374 121.223 0.408 0.000 2.376 359 L HA -0.002 4.338 4.340 -0.000 0.000 0.219 359 L C 1.238 178.198 176.870 0.150 0.000 1.133 359 L CA 0.157 55.138 54.840 0.234 0.000 0.816 359 L CB -0.604 41.536 42.059 0.134 0.000 0.933 359 L HN 0.536 nan 8.230 nan 0.000 0.449 360 N N 0.323 119.169 118.700 0.243 0.000 2.725 360 N HA -0.229 4.511 4.740 -0.000 0.000 0.249 360 N C 0.347 175.849 175.510 -0.014 0.000 1.103 360 N CA 0.165 53.229 53.050 0.023 0.000 0.707 360 N CB -0.434 37.975 38.487 -0.130 0.000 1.043 360 N HN 0.252 nan 8.380 nan 0.000 0.553 361 R N 0.755 121.276 120.500 0.034 0.000 2.491 361 R HA 0.070 4.409 4.340 -0.000 0.000 0.283 361 R C 0.125 176.383 176.300 -0.071 0.000 1.072 361 R CA 0.463 56.494 56.100 -0.114 0.000 1.048 361 R CB 0.109 30.153 30.300 -0.426 0.000 0.983 361 R HN 0.422 nan 8.270 nan 0.000 0.450 362 N N 0.493 119.109 118.700 -0.140 0.000 2.725 362 N HA -0.281 4.459 4.740 -0.000 0.000 0.251 362 N C -1.444 173.901 175.510 -0.275 0.000 1.031 362 N CA 0.633 53.526 53.050 -0.261 0.000 0.720 362 N CB -0.428 37.766 38.487 -0.488 0.000 0.930 362 N HN 0.681 nan 8.380 nan 0.000 0.543 363 A N -0.250 122.472 122.820 -0.163 0.000 2.608 363 A HA 0.469 4.789 4.320 -0.000 0.000 0.292 363 A C -0.706 176.807 177.584 -0.119 0.000 1.066 363 A CA -0.826 51.138 52.037 -0.122 0.000 0.676 363 A CB 1.118 20.088 19.000 -0.051 0.000 1.277 363 A HN 0.202 nan 8.150 nan 0.000 0.413 364 E N 0.908 121.065 120.200 -0.072 0.000 2.418 364 E HA 0.247 4.597 4.350 -0.000 0.000 0.261 364 E C -0.186 176.347 176.600 -0.113 0.000 1.070 364 E CA 0.281 56.646 56.400 -0.059 0.000 0.931 364 E CB 0.346 30.041 29.700 -0.008 0.000 0.954 364 E HN 0.577 nan 8.360 nan 0.000 0.439 365 T N 2.685 117.188 114.554 -0.084 0.000 2.905 365 T HA -0.030 4.320 4.350 -0.000 0.000 0.299 365 T C -0.030 174.663 174.700 -0.011 0.000 1.024 365 T CA 0.353 62.397 62.100 -0.093 0.000 1.151 365 T CB -0.093 68.758 68.868 -0.028 0.000 0.987 365 T HN 0.306 nan 8.240 nan 0.000 0.535 366 H N 1.006 120.107 119.070 0.051 0.000 2.615 366 H HA 0.470 5.026 4.556 -0.000 0.000 0.363 366 H C 0.811 176.172 175.328 0.055 0.000 1.148 366 H CA -0.642 55.442 56.048 0.060 0.000 1.401 366 H CB 0.738 30.545 29.762 0.076 0.000 1.461 366 H HN 0.709 nan 8.280 nan 0.000 0.588 367 S N 0.983 116.800 115.700 0.194 0.000 2.685 367 S HA 0.750 5.220 4.470 -0.000 0.000 0.282 367 S C 0.123 174.786 174.600 0.106 0.000 1.159 367 S CA -0.396 57.878 58.200 0.123 0.000 0.833 367 S CB 1.969 65.225 63.200 0.094 0.000 1.151 367 S HN 1.198 nan 8.310 nan 0.000 0.485 368 G N 0.864 109.718 108.800 0.090 0.000 2.782 368 G HA2 0.017 3.977 3.960 -0.000 0.000 0.228 368 G HA3 0.017 3.977 3.960 -0.000 0.000 0.228 368 G C -2.974 171.969 174.900 0.071 0.000 1.372 368 G CA -0.425 44.729 45.100 0.090 0.000 0.862 368 G HN 0.866 nan 8.290 nan 0.000 0.547 369 P HA 0.440 nan 4.420 nan 0.000 0.272 369 P C -0.234 177.014 177.300 -0.087 0.000 1.230 369 P CA 0.121 63.209 63.100 -0.021 0.000 0.788 369 P CB 0.760 32.458 31.700 -0.004 0.000 0.949 370 T N 1.634 116.090 114.554 -0.163 0.000 2.807 370 T HA 0.513 4.863 4.350 -0.000 0.000 0.279 370 T C -0.458 174.105 174.700 -0.229 0.000 0.993 370 T CA -0.081 61.963 62.100 -0.095 0.000 0.970 370 T CB 0.247 69.108 68.868 -0.013 0.000 0.950 370 T HN 0.117 nan 8.240 nan 0.000 0.441 371 F N 2.668 122.634 119.950 0.026 0.000 2.427 371 F HA 0.582 5.108 4.527 -0.000 0.000 0.346 371 F C 0.295 176.127 175.800 0.054 0.000 1.120 371 F CA -1.066 56.953 58.000 0.031 0.000 1.033 371 F CB 0.977 39.962 39.000 -0.025 0.000 1.126 371 F HN 0.293 nan 8.300 nan 0.000 0.462 372 I N 5.253 125.962 120.570 0.232 0.000 2.389 372 I HA 0.340 4.509 4.170 -0.000 0.000 0.288 372 I C -0.866 175.394 176.117 0.238 0.000 0.999 372 I CA -0.697 60.714 61.300 0.185 0.000 1.129 372 I CB 1.480 39.555 38.000 0.126 0.000 1.288 372 I HN 0.341 nan 8.210 nan 0.000 0.444 373 I N 5.580 126.270 120.570 0.200 0.000 2.328 373 I HA 0.358 4.527 4.170 -0.000 0.000 0.287 373 I C 0.946 177.159 176.117 0.160 0.000 1.012 373 I CA -0.087 61.338 61.300 0.208 0.000 1.195 373 I CB 0.774 38.889 38.000 0.192 0.000 1.350 373 I HN 0.603 nan 8.210 nan 0.000 0.464 374 G N 4.832 113.731 108.800 0.165 0.000 2.553 374 G HA2 0.449 4.409 3.960 -0.000 0.000 0.278 374 G HA3 0.449 4.409 3.960 -0.000 0.000 0.278 374 G C 0.079 175.047 174.900 0.114 0.000 1.349 374 G CA -0.181 44.986 45.100 0.112 0.000 1.037 374 G HN 0.667 nan 8.290 nan 0.000 0.508 375 S N -1.999 113.755 115.700 0.090 0.000 2.726 375 S HA 0.375 4.845 4.470 -0.000 0.000 0.308 375 S C 0.083 174.727 174.600 0.073 0.000 1.115 375 S CA -0.585 57.673 58.200 0.097 0.000 0.965 375 S CB 2.049 65.313 63.200 0.108 0.000 1.145 375 S HN 0.336 nan 8.310 nan 0.000 0.532 376 D N 0.706 121.146 120.400 0.066 0.000 2.363 376 D HA 0.218 4.857 4.640 -0.000 0.000 0.226 376 D C 0.996 177.317 176.300 0.035 0.000 1.020 376 D CA 0.468 54.497 54.000 0.050 0.000 0.892 376 D CB -0.443 40.382 40.800 0.043 0.000 0.900 376 D HN 0.630 nan 8.370 nan 0.000 0.531 377 G N -0.052 108.768 108.800 0.033 0.000 2.568 377 G HA2 0.179 4.139 3.960 -0.000 0.000 0.293 377 G HA3 0.179 4.139 3.960 -0.000 0.000 0.293 377 G C 0.023 174.923 174.900 -0.000 0.000 1.347 377 G CA -0.583 44.528 45.100 0.018 0.000 1.039 377 G HN -0.062 nan 8.290 nan 0.000 0.523 378 N N 1.533 120.223 118.700 -0.018 0.000 2.401 378 N HA 0.247 4.987 4.740 -0.000 0.000 0.255 378 N C -0.861 174.588 175.510 -0.101 0.000 1.110 378 N CA -0.005 53.013 53.050 -0.053 0.000 0.949 378 N CB 1.023 39.481 38.487 -0.048 0.000 1.110 378 N HN 0.302 nan 8.380 nan 0.000 0.490 379 D N 1.399 121.709 120.400 -0.150 0.000 2.228 379 D HA 0.386 5.026 4.640 -0.000 0.000 0.247 379 D C 0.095 176.175 176.300 -0.367 0.000 0.995 379 D CA -0.368 53.506 54.000 -0.210 0.000 0.903 379 D CB 1.986 42.684 40.800 -0.169 0.000 1.205 379 D HN 0.204 nan 8.370 nan 0.000 0.459 380 L N 2.040 122.987 121.223 -0.460 0.000 2.294 380 L HA 0.508 4.848 4.340 -0.000 0.000 0.283 380 L C -0.301 176.351 176.870 -0.364 0.000 1.015 380 L CA -0.527 53.842 54.840 -0.784 0.000 0.831 380 L CB 1.001 42.143 42.059 -1.529 0.000 1.217 380 L HN 0.142 nan 8.230 nan 0.000 0.420 381 I N 3.692 124.214 120.570 -0.081 0.000 2.436 381 I HA 0.378 4.547 4.170 -0.000 0.000 0.289 381 I C -0.421 175.911 176.117 0.357 0.000 1.010 381 I CA -0.535 60.834 61.300 0.115 0.000 1.098 381 I CB 2.326 40.325 38.000 -0.001 0.000 1.266 381 I HN 0.478 nan 8.210 nan 0.000 0.434 382 K N 4.724 125.290 120.400 0.276 0.000 2.502 382 K HA 0.647 4.967 4.320 -0.000 0.000 0.254 382 K C -0.354 176.292 176.600 0.076 0.000 0.947 382 K CA -0.420 55.942 56.287 0.125 0.000 0.834 382 K CB 1.701 34.182 32.500 -0.031 0.000 1.112 382 K HN 0.732 nan 8.250 nan 0.000 0.427 383 G N 1.800 110.644 108.800 0.073 0.000 2.476 383 G HA2 0.490 4.449 3.960 -0.000 0.000 0.286 383 G HA3 0.490 4.449 3.960 -0.000 0.000 0.286 383 G C -0.029 174.880 174.900 0.014 0.000 1.177 383 G CA -0.608 44.519 45.100 0.044 0.000 0.870 383 G HN 0.700 nan 8.290 nan 0.000 0.528 384 G N -0.701 108.107 108.800 0.014 0.000 2.510 384 G HA2 0.326 4.285 3.960 -0.000 0.000 0.280 384 G HA3 0.326 4.285 3.960 -0.000 0.000 0.280 384 G C 0.785 175.684 174.900 -0.001 0.000 1.386 384 G CA -0.592 44.515 45.100 0.011 0.000 1.047 384 G HN 0.527 nan 8.290 nan 0.000 0.527 385 K N -0.463 119.939 120.400 0.004 0.000 2.439 385 K HA 0.063 4.383 4.320 -0.000 0.000 0.197 385 K C 1.573 178.176 176.600 0.005 0.000 1.041 385 K CA 0.490 56.776 56.287 -0.000 0.000 0.970 385 K CB 0.106 32.609 32.500 0.005 0.000 0.773 385 K HN 0.394 nan 8.250 nan 0.000 0.479 386 G N 0.957 109.765 108.800 0.013 0.000 2.574 386 G HA2 0.079 4.038 3.960 -0.000 0.000 0.248 386 G HA3 0.079 4.038 3.960 -0.000 0.000 0.248 386 G C -0.433 174.463 174.900 -0.006 0.000 1.422 386 G CA -0.672 44.442 45.100 0.023 0.000 1.051 386 G HN 0.065 nan 8.290 nan 0.000 0.560 387 N N 1.003 119.697 118.700 -0.010 0.000 2.444 387 N HA 0.353 5.093 4.740 -0.000 0.000 0.271 387 N C -1.303 174.080 175.510 -0.211 0.000 1.069 387 N CA 0.041 53.036 53.050 -0.091 0.000 0.965 387 N CB 1.563 40.023 38.487 -0.045 0.000 1.092 387 N HN 0.362 nan 8.380 nan 0.000 0.476 388 D N 0.532 120.723 120.400 -0.349 0.000 2.575 388 D HA 0.354 4.994 4.640 -0.000 0.000 0.236 388 D C -0.993 174.880 176.300 -0.713 0.000 1.075 388 D CA -0.331 53.441 54.000 -0.379 0.000 0.860 388 D CB 1.292 41.987 40.800 -0.175 0.000 1.475 388 D HN 0.356 nan 8.370 nan 0.000 0.474 389 Y N 1.135 121.118 120.300 -0.529 0.000 2.376 389 Y HA 0.413 4.962 4.550 -0.000 0.000 0.326 389 Y C -0.642 175.040 175.900 -0.365 0.000 0.970 389 Y CA -0.848 56.787 58.100 -0.774 0.000 1.248 389 Y CB 0.941 38.602 38.460 -1.332 0.000 1.117 389 Y HN 0.079 nan 8.280 nan 0.000 0.476 390 L N 3.629 124.849 121.223 -0.006 0.000 2.305 390 L HA 0.525 4.865 4.340 -0.000 0.000 0.284 390 L C -0.306 176.841 176.870 0.462 0.000 1.013 390 L CA -0.598 54.394 54.840 0.253 0.000 0.819 390 L CB 1.962 44.177 42.059 0.259 0.000 1.227 390 L HN 0.575 nan 8.230 nan 0.000 0.417 391 E N 1.649 122.166 120.200 0.529 0.000 2.182 391 E HA 0.318 4.668 4.350 -0.000 0.000 0.258 391 E C 0.529 177.378 176.600 0.415 0.000 0.879 391 E CA -0.309 56.375 56.400 0.473 0.000 0.754 391 E CB 1.839 31.794 29.700 0.426 0.000 1.162 391 E HN 0.761 nan 8.360 nan 0.000 0.419 392 G N 3.855 112.944 108.800 0.481 0.000 2.453 392 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.215 392 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.215 392 G C 0.519 175.534 174.900 0.192 0.000 1.147 392 G CA 0.346 45.668 45.100 0.371 0.000 0.802 392 G HN 0.709 nan 8.290 nan 0.000 0.535 393 R N -0.514 120.088 120.500 0.169 0.000 3.819 393 R HA -0.153 4.187 4.340 -0.000 0.000 0.488 393 R C -0.695 175.660 176.300 0.092 0.000 0.241 393 R CA 0.878 57.043 56.100 0.108 0.000 1.530 393 R CB -1.408 28.950 30.300 0.096 0.000 1.019 393 R HN 0.291 nan 8.270 nan 0.000 0.557 394 D N 0.449 120.890 120.400 0.069 0.000 2.363 394 D HA 0.429 5.069 4.640 -0.000 0.000 0.240 394 D C 0.847 177.178 176.300 0.052 0.000 1.236 394 D CA 1.610 55.645 54.000 0.057 0.000 0.927 394 D CB 0.216 41.043 40.800 0.044 0.000 1.150 394 D HN 0.806 nan 8.370 nan 0.000 0.458 395 G N 0.413 109.241 108.800 0.047 0.000 2.699 395 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.686 395 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.686 395 G C -1.235 173.691 174.900 0.044 0.000 1.301 395 G CA -0.840 44.282 45.100 0.036 0.000 0.816 395 G HN 0.443 nan 8.290 nan 0.000 0.595 396 D N 1.759 122.181 120.400 0.037 0.000 2.393 396 D HA 0.429 5.069 4.640 -0.000 0.000 0.232 396 D C -0.017 176.275 176.300 -0.015 0.000 1.192 396 D CA 0.190 54.221 54.000 0.053 0.000 0.882 396 D CB 0.780 41.633 40.800 0.089 0.000 1.038 396 D HN 0.354 nan 8.370 nan 0.000 0.499 397 D N 1.722 122.098 120.400 -0.041 0.000 2.198 397 D HA 0.432 5.072 4.640 -0.000 0.000 0.247 397 D C 0.447 176.589 176.300 -0.264 0.000 1.010 397 D CA -0.424 53.446 54.000 -0.216 0.000 0.880 397 D CB 2.129 42.756 40.800 -0.289 0.000 1.209 397 D HN 0.228 nan 8.370 nan 0.000 0.451 398 I N 1.303 121.637 120.570 -0.392 0.000 2.433 398 I HA 0.353 4.523 4.170 -0.000 0.000 0.292 398 I C -0.690 175.241 176.117 -0.309 0.000 1.001 398 I CA -0.772 60.403 61.300 -0.209 0.000 1.119 398 I CB 1.088 39.048 38.000 -0.066 0.000 1.289 398 I HN 0.076 nan 8.210 nan 0.000 0.438 399 F N 4.556 124.570 119.950 0.107 0.000 2.480 399 F HA 0.661 5.188 4.527 -0.000 0.000 0.329 399 F C 0.283 175.927 175.800 -0.259 0.000 1.091 399 F CA -0.642 57.404 58.000 0.077 0.000 0.972 399 F CB 1.633 40.741 39.000 0.180 0.000 1.150 399 F HN 0.264 nan 8.300 nan 0.000 0.467 400 R N 0.945 121.425 120.500 -0.035 0.000 2.795 400 R HA 0.487 4.827 4.340 -0.000 0.000 0.275 400 R C -1.805 174.423 176.300 -0.121 0.000 0.981 400 R CA -1.041 54.840 56.100 -0.364 0.000 0.917 400 R CB 2.559 32.563 30.300 -0.492 0.000 1.202 400 R HN 0.645 nan 8.270 nan 0.000 0.469 401 D N 0.255 120.608 120.400 -0.078 0.000 2.977 401 D HA 0.224 4.864 4.640 -0.000 0.000 0.220 401 D C -0.506 175.808 176.300 0.024 0.000 1.267 401 D CA -0.297 53.736 54.000 0.056 0.000 0.884 401 D CB 2.316 43.229 40.800 0.189 0.000 1.667 401 D HN 0.607 nan 8.370 nan 0.000 0.536 402 A N 1.948 124.761 122.820 -0.011 0.000 2.218 402 A HA 0.558 4.878 4.320 -0.000 0.000 0.209 402 A C 0.966 178.540 177.584 -0.017 0.000 1.168 402 A CA 1.188 53.210 52.037 -0.024 0.000 0.804 402 A CB 0.075 19.054 19.000 -0.034 0.000 0.834 402 A HN 0.744 nan 8.150 nan 0.000 0.482 403 G N -3.752 105.036 108.800 -0.020 0.000 2.343 403 G HA2 0.547 4.507 3.960 -0.000 0.000 0.289 403 G HA3 0.547 4.507 3.960 -0.000 0.000 0.289 403 G C 0.292 175.141 174.900 -0.085 0.000 1.295 403 G CA 0.242 45.312 45.100 -0.051 0.000 0.869 403 G HN 1.977 nan 8.290 nan 0.000 0.522 404 G N -1.515 107.201 108.800 -0.139 0.000 2.584 404 G HA2 0.195 4.155 3.960 -0.000 0.000 0.229 404 G HA3 0.195 4.155 3.960 -0.000 0.000 0.229 404 G C -0.699 173.992 174.900 -0.349 0.000 1.320 404 G CA 0.198 45.216 45.100 -0.137 0.000 0.891 404 G HN 1.611 nan 8.290 nan 0.000 0.573 405 Y N 1.824 122.075 120.300 -0.082 0.000 2.328 405 Y HA 0.625 5.175 4.550 -0.000 0.000 0.336 405 Y C 0.596 176.359 175.900 -0.228 0.000 0.960 405 Y CA -0.821 57.213 58.100 -0.110 0.000 1.134 405 Y CB 1.954 40.374 38.460 -0.067 0.000 1.166 405 Y HN 0.596 nan 8.280 nan 0.000 0.464 406 N N 3.909 122.513 118.700 -0.159 0.000 2.284 406 N HA 0.570 5.310 4.740 -0.000 0.000 0.289 406 N C -1.680 173.630 175.510 -0.333 0.000 1.179 406 N CA -0.758 52.096 53.050 -0.327 0.000 0.774 406 N CB 2.826 41.174 38.487 -0.232 0.000 1.548 406 N HN 0.468 nan 8.380 nan 0.000 0.473 407 L N 1.742 122.692 121.223 -0.455 0.000 2.365 407 L HA 0.634 4.974 4.340 -0.000 0.000 0.273 407 L C -0.505 176.289 176.870 -0.126 0.000 1.000 407 L CA -0.715 53.995 54.840 -0.216 0.000 0.819 407 L CB 1.851 43.898 42.059 -0.021 0.000 1.284 407 L HN 0.366 nan 8.230 nan 0.000 0.418 408 I N 2.390 122.907 120.570 -0.087 0.000 2.466 408 I HA 0.517 4.687 4.170 -0.000 0.000 0.289 408 I C -0.217 175.841 176.117 -0.097 0.000 1.026 408 I CA -0.544 60.656 61.300 -0.166 0.000 1.078 408 I CB 2.207 39.944 38.000 -0.438 0.000 1.249 408 I HN 0.636 nan 8.210 nan 0.000 0.429 409 A N 4.167 126.990 122.820 0.005 0.000 2.328 409 A HA 0.584 4.904 4.320 -0.000 0.000 0.318 409 A C 0.998 178.591 177.584 0.015 0.000 1.347 409 A CA -0.367 51.665 52.037 -0.008 0.000 0.842 409 A CB 0.669 19.648 19.000 -0.036 0.000 1.148 409 A HN 0.960 nan 8.150 nan 0.000 0.499 410 G N 1.550 110.342 108.800 -0.014 0.000 2.432 410 G HA2 0.357 4.317 3.960 -0.000 0.000 0.219 410 G HA3 0.357 4.317 3.960 -0.000 0.000 0.219 410 G C 1.178 176.199 174.900 0.201 0.000 1.135 410 G CA 0.873 46.086 45.100 0.189 0.000 0.767 410 G HN 2.154 nan 8.290 nan 0.000 0.550 411 G N -0.263 108.598 108.800 0.101 0.000 2.645 411 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.239 411 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.239 411 G C 0.043 174.987 174.900 0.073 0.000 1.331 411 G CA -0.030 45.117 45.100 0.078 0.000 0.890 411 G HN 0.594 nan 8.290 nan 0.000 0.572 412 K N 0.715 121.153 120.400 0.063 0.000 2.234 412 K HA 0.493 4.813 4.320 -0.000 0.000 0.251 412 K C 0.913 177.558 176.600 0.075 0.000 1.011 412 K CA 0.802 57.125 56.287 0.060 0.000 0.889 412 K CB 0.163 32.692 32.500 0.049 0.000 1.011 412 K HN 2.359 nan 8.250 nan 0.000 0.505 413 G N 0.322 109.168 108.800 0.077 0.000 2.631 413 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.504 413 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.504 413 G C -1.218 173.759 174.900 0.129 0.000 1.306 413 G CA -0.710 44.448 45.100 0.097 0.000 0.897 413 G HN 0.812 nan 8.290 nan 0.000 0.520 414 H N 1.965 121.066 119.070 0.051 0.000 2.820 414 H HA 0.351 4.907 4.556 -0.000 0.000 0.278 414 H C -0.193 175.182 175.328 0.078 0.000 1.142 414 H CA -0.341 55.741 56.048 0.057 0.000 1.346 414 H CB -0.191 29.594 29.762 0.039 0.000 1.438 414 H HN 0.469 nan 8.280 nan 0.000 0.473 415 N N 5.919 124.511 118.700 -0.181 0.000 2.417 415 N HA 0.344 5.084 4.740 -0.000 0.000 0.300 415 N C -0.260 175.198 175.510 -0.088 0.000 1.102 415 N CA -0.538 52.495 53.050 -0.029 0.000 0.886 415 N CB 2.471 41.076 38.487 0.198 0.000 1.203 415 N HN 0.526 nan 8.380 nan 0.000 0.496 416 I N 0.986 121.602 120.570 0.076 0.000 2.509 416 I HA 0.357 4.527 4.170 -0.000 0.000 0.293 416 I C -1.005 175.298 176.117 0.310 0.000 1.020 416 I CA -0.867 60.504 61.300 0.118 0.000 1.088 416 I CB 1.945 39.995 38.000 0.082 0.000 1.267 416 I HN 0.344 nan 8.210 nan 0.000 0.430 417 F N 5.130 125.171 119.950 0.152 0.000 2.427 417 F HA 0.389 4.915 4.527 -0.000 0.000 0.346 417 F C -0.354 175.525 175.800 0.131 0.000 1.120 417 F CA -0.395 57.709 58.000 0.173 0.000 1.033 417 F CB 0.995 40.045 39.000 0.083 0.000 1.126 417 F HN 0.348 nan 8.300 nan 0.000 0.462 418 D N 3.675 123.812 120.400 -0.437 0.000 2.392 418 D HA 0.143 4.783 4.640 -0.000 0.000 0.228 418 D C 0.887 176.963 176.300 -0.374 0.000 1.074 418 D CA -0.186 53.673 54.000 -0.236 0.000 0.838 418 D CB 1.595 42.323 40.800 -0.120 0.000 1.067 418 D HN 0.654 nan 8.370 nan 0.000 0.511 419 T N 0.742 115.271 114.554 -0.041 0.000 3.067 419 T HA -0.062 4.288 4.350 -0.000 0.000 0.261 419 T C 0.931 175.622 174.700 -0.014 0.000 1.110 419 T CA 0.501 62.640 62.100 0.064 0.000 1.113 419 T CB -0.279 68.693 68.868 0.174 0.000 0.917 419 T HN 0.623 nan 8.240 nan 0.000 0.499 420 Q N 0.626 120.402 119.800 -0.040 0.000 2.452 420 Q HA -0.234 4.106 4.340 -0.000 0.000 0.248 420 Q C 0.031 176.027 176.000 -0.007 0.000 0.874 420 Q CA 1.292 57.068 55.803 -0.045 0.000 1.208 420 Q CB -1.730 26.947 28.738 -0.102 0.000 1.569 420 Q HN 0.986 nan 8.270 nan 0.000 0.579 421 Q N -2.073 117.741 119.800 0.023 0.000 2.814 421 Q HA 0.792 5.132 4.340 -0.000 0.000 0.322 421 Q C -1.184 174.846 176.000 0.049 0.000 0.861 421 Q CA -0.544 55.278 55.803 0.032 0.000 0.773 421 Q CB 0.911 29.664 28.738 0.026 0.000 1.423 421 Q HN 0.172 nan 8.270 nan 0.000 0.495 422 A N 0.880 123.728 122.820 0.047 0.000 2.520 422 A HA 0.173 4.493 4.320 -0.000 0.000 0.245 422 A C 0.671 178.282 177.584 0.046 0.000 1.072 422 A CA -0.276 51.792 52.037 0.052 0.000 0.761 422 A CB 0.029 19.056 19.000 0.046 0.000 1.004 422 A HN 0.741 nan 8.150 nan 0.000 0.499 423 L N 2.787 124.036 121.223 0.043 0.000 2.127 423 L HA -0.182 4.158 4.340 -0.000 0.000 0.211 423 L C 2.490 179.363 176.870 0.005 0.000 1.089 423 L CA 2.613 57.452 54.840 -0.000 0.000 0.757 423 L CB -0.515 41.493 42.059 -0.086 0.000 0.899 423 L HN 0.885 nan 8.230 nan 0.000 0.434 424 K N -1.737 118.674 120.400 0.019 0.000 2.360 424 K HA -0.127 4.193 4.320 -0.000 0.000 0.201 424 K C 1.204 177.822 176.600 0.029 0.000 1.046 424 K CA 1.521 57.822 56.287 0.023 0.000 0.945 424 K CB -0.497 32.020 32.500 0.027 0.000 0.750 424 K HN 0.304 nan 8.250 nan 0.000 0.464 425 N N 0.495 119.214 118.700 0.031 0.000 2.398 425 N HA 0.004 4.744 4.740 -0.000 0.000 0.188 425 N C -0.550 174.982 175.510 0.037 0.000 1.122 425 N CA 0.540 53.609 53.050 0.032 0.000 0.866 425 N CB 0.670 39.175 38.487 0.031 0.000 0.970 425 N HN 0.169 nan 8.380 nan 0.000 0.462 426 T N 0.668 115.246 114.554 0.041 0.000 2.848 426 T HA 0.291 4.641 4.350 -0.000 0.000 0.285 426 T C -0.298 174.443 174.700 0.068 0.000 0.995 426 T CA -0.690 61.441 62.100 0.050 0.000 0.970 426 T CB 2.171 71.067 68.868 0.048 0.000 0.976 426 T HN -0.028 nan 8.240 nan 0.000 0.441 427 E N 1.776 122.042 120.200 0.109 0.000 2.259 427 E HA 0.459 4.809 4.350 -0.000 0.000 0.281 427 E C -0.769 175.934 176.600 0.170 0.000 1.037 427 E CA -0.570 55.940 56.400 0.184 0.000 0.854 427 E CB 1.117 30.989 29.700 0.287 0.000 1.051 427 E HN 0.232 nan 8.360 nan 0.000 0.409 428 V N 2.289 122.281 119.914 0.129 0.000 2.487 428 V HA 0.700 4.820 4.120 -0.000 0.000 0.298 428 V C -0.169 175.916 176.094 -0.016 0.000 1.028 428 V CA -0.567 61.752 62.300 0.031 0.000 0.860 428 V CB 1.361 33.212 31.823 0.046 0.000 0.991 428 V HN 0.814 nan 8.190 nan 0.000 0.427 429 A N 3.959 126.588 122.820 -0.319 0.000 2.530 429 A HA 0.979 5.299 4.320 -0.000 0.000 0.288 429 A C -1.986 175.253 177.584 -0.575 0.000 1.172 429 A CA -0.668 51.062 52.037 -0.512 0.000 0.733 429 A CB 2.149 20.552 19.000 -0.994 0.000 1.320 429 A HN 0.960 nan 8.150 nan 0.000 0.419 430 Y N 0.610 120.305 120.300 -1.007 0.000 2.436 430 Y HA 0.407 4.957 4.550 -0.000 0.000 0.327 430 Y C -0.494 174.841 175.900 -0.941 0.000 1.138 430 Y CA -0.990 56.540 58.100 -0.951 0.000 1.042 430 Y CB 1.903 39.614 38.460 -1.250 0.000 1.302 430 Y HN 0.768 nan 8.280 nan 0.000 0.439 431 D N 1.944 121.585 120.400 -1.265 0.000 2.328 431 D HA 0.289 4.929 4.640 -0.000 0.000 0.221 431 D C 1.472 177.316 176.300 -0.760 0.000 1.072 431 D CA 0.782 54.105 54.000 -1.128 0.000 0.850 431 D CB 0.425 40.564 40.800 -1.103 0.000 0.922 431 D HN 1.024 nan 8.370 nan 0.000 0.516 432 G N 0.454 108.553 108.800 -1.169 0.000 2.238 432 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.217 432 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.217 432 G C 0.781 175.234 174.900 -0.746 0.000 0.996 432 G CA 0.256 44.904 45.100 -0.753 0.000 0.632 432 G HN 0.521 nan 8.290 nan 0.000 0.503 433 N N -0.981 117.200 118.700 -0.866 0.000 2.354 433 N HA 0.057 4.797 4.740 -0.000 0.000 0.253 433 N C -0.313 174.984 175.510 -0.355 0.000 1.096 433 N CA 0.961 53.760 53.050 -0.419 0.000 0.820 433 N CB 0.816 39.156 38.487 -0.246 0.000 1.610 433 N HN 0.227 nan 8.380 nan 0.000 0.501 434 T N 2.034 116.292 114.554 -0.493 0.000 2.794 434 T HA 0.415 4.765 4.350 -0.000 0.000 0.280 434 T C -0.713 173.766 174.700 -0.369 0.000 0.987 434 T CA -0.423 61.442 62.100 -0.391 0.000 0.993 434 T CB 2.273 70.864 68.868 -0.462 0.000 0.939 434 T HN 0.096 nan 8.240 nan 0.000 0.449 435 L N 4.172 125.260 121.223 -0.225 0.000 2.305 435 L HA 0.461 4.801 4.340 -0.000 0.000 0.281 435 L C -1.387 175.220 176.870 -0.438 0.000 1.085 435 L CA -0.390 54.357 54.840 -0.155 0.000 0.813 435 L CB 0.077 42.056 42.059 -0.133 0.000 1.157 435 L HN 0.605 nan 8.230 nan 0.000 0.436 436 Y N 5.694 125.751 120.300 -0.406 0.000 2.328 436 Y HA 0.587 5.137 4.550 -0.000 0.000 0.337 436 Y C -0.529 175.157 175.900 -0.356 0.000 0.966 436 Y CA -0.694 57.156 58.100 -0.418 0.000 1.136 436 Y CB 1.299 39.353 38.460 -0.676 0.000 1.170 436 Y HN 0.361 nan 8.280 nan 0.000 0.470 437 L N 4.720 125.867 121.223 -0.126 0.000 2.356 437 L HA 0.629 4.969 4.340 -0.000 0.000 0.277 437 L C -0.496 176.394 176.870 0.033 0.000 0.996 437 L CA -0.811 53.979 54.840 -0.084 0.000 0.822 437 L CB 2.172 44.082 42.059 -0.248 0.000 1.256 437 L HN 0.546 nan 8.230 nan 0.000 0.413 438 R N 2.047 122.628 120.500 0.135 0.000 2.439 438 R HA 0.337 4.676 4.340 -0.000 0.000 0.310 438 R C -0.945 175.384 176.300 0.049 0.000 0.955 438 R CA -0.609 55.561 56.100 0.117 0.000 0.853 438 R CB 1.438 31.873 30.300 0.225 0.000 1.171 438 R HN 0.729 nan 8.270 nan 0.000 0.449 439 D N 3.352 123.744 120.400 -0.014 0.000 2.451 439 D HA 0.145 4.785 4.640 -0.000 0.000 0.259 439 D C 0.805 177.099 176.300 -0.011 0.000 1.201 439 D CA -0.303 53.689 54.000 -0.012 0.000 1.028 439 D CB 0.765 41.546 40.800 -0.032 0.000 1.095 439 D HN 0.431 nan 8.370 nan 0.000 0.539 440 A N -0.345 122.473 122.820 -0.004 0.000 2.067 440 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 440 A C 1.711 179.290 177.584 -0.008 0.000 1.158 440 A CA 1.038 53.074 52.037 -0.001 0.000 0.661 440 A CB -0.586 18.416 19.000 0.005 0.000 0.801 440 A HN 0.553 nan 8.150 nan 0.000 0.452 441 K N -1.570 118.817 120.400 -0.020 0.000 2.404 441 K HA 0.262 4.582 4.320 -0.000 0.000 0.194 441 K C 1.022 177.609 176.600 -0.022 0.000 1.023 441 K CA 0.445 56.722 56.287 -0.017 0.000 1.094 441 K CB 0.143 32.632 32.500 -0.019 0.000 0.841 441 K HN 0.582 nan 8.250 nan 0.000 0.523 442 G N 1.108 109.883 108.800 -0.040 0.000 2.175 442 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.244 442 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.244 442 G C 0.394 175.204 174.900 -0.149 0.000 0.982 442 G CA -0.243 44.837 45.100 -0.033 0.000 0.641 442 G HN 0.458 nan 8.290 nan 0.000 0.527 443 G N -0.074 108.528 108.800 -0.329 0.000 2.398 443 G HA2 0.497 4.457 3.960 -0.000 0.000 0.246 443 G HA3 0.497 4.457 3.960 -0.000 0.000 0.246 443 G C 0.002 174.605 174.900 -0.495 0.000 1.289 443 G CA -0.044 44.576 45.100 -0.800 0.000 0.869 443 G HN 0.675 nan 8.290 nan 0.000 0.543 444 I N 1.239 121.485 120.570 -0.540 0.000 2.404 444 I HA 0.294 4.464 4.170 -0.000 0.000 0.293 444 I C 0.049 176.105 176.117 -0.102 0.000 0.992 444 I CA -0.457 60.788 61.300 -0.091 0.000 1.149 444 I CB 2.414 40.518 38.000 0.174 0.000 1.315 444 I HN 0.289 nan 8.210 nan 0.000 0.446 445 T N 6.843 121.319 114.554 -0.130 0.000 2.797 445 T HA 0.571 4.920 4.350 -0.000 0.000 0.279 445 T C -0.537 173.990 174.700 -0.287 0.000 0.991 445 T CA -0.458 61.508 62.100 -0.224 0.000 0.979 445 T CB 1.231 69.900 68.868 -0.332 0.000 0.943 445 T HN 0.097 nan 8.240 nan 0.000 0.444 446 L N 3.066 124.100 121.223 -0.315 0.000 2.287 446 L HA 0.741 5.080 4.340 -0.000 0.000 0.287 446 L C 0.031 176.668 176.870 -0.389 0.000 1.022 446 L CA -0.401 54.155 54.840 -0.474 0.000 0.814 446 L CB 1.241 43.046 42.059 -0.424 0.000 1.217 446 L HN 0.808 nan 8.230 nan 0.000 0.420 447 A N 2.457 125.020 122.820 -0.428 0.000 2.335 447 A HA 0.703 5.023 4.320 -0.000 0.000 0.304 447 A C -1.037 176.402 177.584 -0.242 0.000 1.118 447 A CA -0.654 51.188 52.037 -0.327 0.000 0.757 447 A CB 0.590 19.367 19.000 -0.371 0.000 1.188 447 A HN 0.563 nan 8.150 nan 0.000 0.460 448 D N 1.377 121.671 120.400 -0.178 0.000 2.225 448 D HA 0.420 5.060 4.640 -0.000 0.000 0.249 448 D C -0.266 175.998 176.300 -0.061 0.000 1.052 448 D CA 0.443 54.375 54.000 -0.112 0.000 0.909 448 D CB 0.929 41.675 40.800 -0.090 0.000 1.186 448 D HN 0.557 nan 8.370 nan 0.000 0.431 449 D N 0.666 121.057 120.400 -0.015 0.000 2.772 449 D HA -0.155 4.485 4.640 -0.000 0.000 0.233 449 D C -0.388 175.928 176.300 0.026 0.000 1.143 449 D CA 0.541 54.553 54.000 0.020 0.000 0.700 449 D CB -0.521 40.295 40.800 0.025 0.000 1.076 449 D HN 0.237 nan 8.370 nan 0.000 0.430 450 I N 0.698 121.277 120.570 0.014 0.000 2.315 450 I HA 0.080 4.250 4.170 -0.000 0.000 0.291 450 I C 1.644 177.747 176.117 -0.024 0.000 1.006 450 I CA 0.016 61.322 61.300 0.009 0.000 1.265 450 I CB 1.511 39.520 38.000 0.014 0.000 1.387 450 I HN -0.237 nan 8.210 nan 0.000 0.475 451 S N 3.591 119.242 115.700 -0.082 0.000 2.470 451 S HA 0.095 4.565 4.470 -0.000 0.000 0.222 451 S C 0.675 175.254 174.600 -0.034 0.000 1.024 451 S CA 0.474 58.633 58.200 -0.067 0.000 0.931 451 S CB 0.402 63.553 63.200 -0.082 0.000 0.791 451 S HN 0.742 nan 8.310 nan 0.000 0.513 452 T N 2.033 116.557 114.554 -0.050 0.000 2.921 452 T HA 0.504 4.854 4.350 -0.000 0.000 0.297 452 T C -1.482 173.278 174.700 0.099 0.000 1.013 452 T CA -0.457 61.672 62.100 0.048 0.000 0.990 452 T CB 2.094 71.014 68.868 0.087 0.000 1.023 452 T HN -0.000 nan 8.240 nan 0.000 0.447 453 L N 3.686 124.996 121.223 0.146 0.000 2.265 453 L HA 0.626 4.966 4.340 -0.000 0.000 0.289 453 L C 0.061 177.100 176.870 0.280 0.000 1.033 453 L CA -0.490 54.472 54.840 0.204 0.000 0.814 453 L CB 0.766 42.908 42.059 0.139 0.000 1.203 453 L HN 0.579 nan 8.230 nan 0.000 0.423 454 R N 3.385 124.027 120.500 0.236 0.000 2.346 454 R HA 0.740 5.080 4.340 -0.000 0.000 0.311 454 R C -0.714 175.703 176.300 0.195 0.000 0.983 454 R CA -0.171 56.050 56.100 0.202 0.000 0.880 454 R CB 1.094 31.467 30.300 0.121 0.000 1.100 454 R HN 0.861 nan 8.270 nan 0.000 0.453 455 S N 2.716 118.548 115.700 0.221 0.000 2.715 455 S HA 0.458 4.928 4.470 -0.000 0.000 0.307 455 S C -0.954 173.713 174.600 0.110 0.000 1.119 455 S CA -1.000 57.300 58.200 0.167 0.000 0.937 455 S CB 1.808 65.132 63.200 0.208 0.000 1.150 455 S HN 0.633 nan 8.310 nan 0.000 0.521 456 K N 0.828 121.275 120.400 0.078 0.000 2.450 456 K HA 0.408 4.728 4.320 -0.000 0.000 0.257 456 K C -0.948 175.685 176.600 0.055 0.000 0.953 456 K CA -0.345 55.974 56.287 0.054 0.000 0.844 456 K CB 0.805 33.326 32.500 0.034 0.000 1.103 456 K HN 0.664 nan 8.250 nan 0.000 0.429 457 E N 2.009 122.237 120.200 0.047 0.000 2.264 457 E HA 0.480 4.830 4.350 -0.000 0.000 0.260 457 E C -0.591 176.021 176.600 0.020 0.000 0.961 457 E CA -0.833 55.591 56.400 0.040 0.000 0.834 457 E CB 2.150 31.875 29.700 0.042 0.000 1.230 457 E HN 0.640 nan 8.360 nan 0.000 0.412 458 T N 0.049 114.611 114.554 0.013 0.000 2.843 458 T HA 0.562 4.912 4.350 -0.000 0.000 0.302 458 T C -0.673 173.996 174.700 -0.051 0.000 1.232 458 T CA -0.824 61.270 62.100 -0.011 0.000 1.009 458 T CB 1.659 70.556 68.868 0.050 0.000 1.254 458 T HN 0.570 nan 8.240 nan 0.000 0.504 459 S N 0.217 115.826 115.700 -0.152 0.000 2.671 459 S HA 0.454 4.924 4.470 -0.000 0.000 0.277 459 S C 0.754 175.173 174.600 -0.301 0.000 1.165 459 S CA -1.003 57.085 58.200 -0.186 0.000 0.822 459 S CB 0.719 63.724 63.200 -0.327 0.000 1.150 459 S HN 1.013 nan 8.310 nan 0.000 0.479 460 W N 0.774 121.970 121.300 -0.174 0.000 2.341 460 W HA -0.089 4.571 4.660 -0.000 0.000 0.283 460 W C 1.025 177.303 176.519 -0.401 0.000 1.215 460 W CA 1.128 58.343 57.345 -0.216 0.000 1.211 460 W CB -1.060 28.338 29.460 -0.103 0.000 1.131 460 W HN 0.619 nan 8.180 nan 0.000 0.552 461 L N 2.325 122.792 121.223 -1.260 0.000 2.115 461 L HA 0.268 4.607 4.340 -0.000 0.000 0.200 461 L C 1.243 177.600 176.870 -0.855 0.000 1.094 461 L CA 1.158 55.225 54.840 -1.289 0.000 0.769 461 L CB -0.687 40.392 42.059 -1.633 0.000 0.931 461 L HN -0.004 nan 8.230 nan 0.000 0.455 462 I N -2.453 117.720 120.570 -0.662 0.000 2.328 462 I HA 0.232 4.402 4.170 -0.000 0.000 0.287 462 I C 0.092 176.011 176.117 -0.330 0.000 1.012 462 I CA -0.524 60.528 61.300 -0.414 0.000 1.195 462 I CB 0.826 38.680 38.000 -0.244 0.000 1.350 462 I HN 0.140 nan 8.210 nan 0.000 0.464 463 F N 4.480 124.383 119.950 -0.078 0.000 2.494 463 F HA 0.016 4.543 4.527 -0.000 0.000 0.298 463 F C 0.731 176.513 175.800 -0.031 0.000 1.106 463 F CA 0.826 58.802 58.000 -0.041 0.000 1.452 463 F CB -0.210 38.777 39.000 -0.022 0.000 1.085 463 F HN 0.628 nan 8.300 nan 0.000 0.569 464 N N -0.599 118.158 118.700 0.094 0.000 2.446 464 N HA 0.310 5.050 4.740 -0.000 0.000 0.272 464 N C -1.362 174.155 175.510 0.012 0.000 1.127 464 N CA -0.950 52.132 53.050 0.054 0.000 0.896 464 N CB 2.203 40.730 38.487 0.066 0.000 1.658 464 N HN -0.132 nan 8.380 nan 0.000 0.483 465 K N 1.900 122.304 120.400 0.007 0.000 2.565 465 K HA 0.190 4.510 4.320 -0.000 0.000 0.251 465 K C -1.483 175.120 176.600 0.006 0.000 0.956 465 K CA -0.620 55.664 56.287 -0.006 0.000 0.809 465 K CB 1.298 33.779 32.500 -0.031 0.000 1.267 465 K HN 0.329 nan 8.250 nan 0.000 0.438 466 E N 2.488 122.692 120.200 0.007 0.000 2.289 466 E HA 0.206 4.556 4.350 -0.000 0.000 0.278 466 E C -0.659 175.936 176.600 -0.009 0.000 1.032 466 E CA -0.438 55.970 56.400 0.014 0.000 0.854 466 E CB 1.741 31.454 29.700 0.022 0.000 1.046 466 E HN 0.311 nan 8.360 nan 0.000 0.409 467 V N 3.792 123.700 119.914 -0.009 0.000 2.443 467 V HA 0.166 4.286 4.120 -0.000 0.000 0.293 467 V C -0.408 175.567 176.094 -0.199 0.000 1.021 467 V CA -0.959 61.275 62.300 -0.110 0.000 0.848 467 V CB 1.915 33.678 31.823 -0.100 0.000 0.998 467 V HN 0.472 nan 8.190 nan 0.000 0.424 468 D N 3.089 123.351 120.400 -0.229 0.000 2.210 468 D HA 0.430 5.070 4.640 -0.000 0.000 0.249 468 D C -0.301 175.785 176.300 -0.358 0.000 1.078 468 D CA -0.095 53.805 54.000 -0.166 0.000 0.875 468 D CB 0.853 41.634 40.800 -0.032 0.000 1.175 468 D HN 0.558 nan 8.370 nan 0.000 0.440 469 H N 1.146 120.238 119.070 0.037 0.000 2.727 469 H HA 0.169 4.725 4.556 -0.000 0.000 0.330 469 H C -0.182 175.156 175.328 0.015 0.000 0.986 469 H CA -0.523 55.536 56.048 0.018 0.000 1.251 469 H CB 1.557 31.328 29.762 0.014 0.000 1.493 469 H HN 0.348 nan 8.280 nan 0.000 0.515 470 Q N 2.927 122.782 119.800 0.091 0.000 2.289 470 Q HA 0.129 4.469 4.340 -0.000 0.000 0.273 470 Q C -0.588 175.420 176.000 0.014 0.000 1.029 470 Q CA -0.386 55.450 55.803 0.056 0.000 0.896 470 Q CB 0.713 29.475 28.738 0.040 0.000 1.182 470 Q HN 0.407 nan 8.270 nan 0.000 0.385 471 V N 5.490 125.383 119.914 -0.035 0.000 2.387 471 V HA 0.183 4.303 4.120 -0.000 0.000 0.260 471 V C 0.523 176.509 176.094 -0.179 0.000 1.054 471 V CA -0.014 62.187 62.300 -0.165 0.000 0.967 471 V CB 0.312 31.958 31.823 -0.295 0.000 1.036 471 V HN 0.926 nan 8.190 nan 0.000 0.481 472 T N 2.033 116.517 114.554 -0.116 0.000 2.942 472 T HA 0.678 5.028 4.350 -0.000 0.000 0.289 472 T C 1.198 175.973 174.700 0.124 0.000 1.044 472 T CA -0.060 62.031 62.100 -0.015 0.000 1.023 472 T CB 2.085 70.958 68.868 0.009 0.000 1.123 472 T HN 0.534 nan 8.240 nan 0.000 0.512 473 A N 0.868 123.824 122.820 0.226 0.000 1.986 473 A HA 0.188 4.507 4.320 -0.000 0.000 0.220 473 A C 2.389 180.166 177.584 0.321 0.000 1.171 473 A CA 1.954 54.196 52.037 0.342 0.000 0.640 473 A CB -1.357 17.767 19.000 0.206 0.000 0.811 473 A HN 1.338 nan 8.150 nan 0.000 0.451 474 A N -2.101 120.811 122.820 0.152 0.000 2.178 474 A HA 0.508 4.828 4.320 -0.000 0.000 0.211 474 A C 1.182 178.678 177.584 -0.146 0.000 1.157 474 A CA 1.312 53.380 52.037 0.051 0.000 0.780 474 A CB -0.402 18.605 19.000 0.012 0.000 0.828 474 A HN 1.848 nan 8.150 nan 0.000 0.476 475 G N -1.718 106.885 108.800 -0.327 0.000 2.362 475 G HA2 0.297 4.257 3.960 -0.000 0.000 0.288 475 G HA3 0.297 4.257 3.960 -0.000 0.000 0.288 475 G C -1.219 173.377 174.900 -0.506 0.000 1.305 475 G CA -0.927 43.613 45.100 -0.933 0.000 0.910 475 G HN 0.322 nan 8.290 nan 0.000 0.518 476 L N 0.849 121.814 121.223 -0.431 0.000 2.290 476 L HA 0.498 4.838 4.340 -0.000 0.000 0.284 476 L C 0.592 177.427 176.870 -0.059 0.000 1.078 476 L CA -0.398 54.362 54.840 -0.134 0.000 0.815 476 L CB 1.333 43.347 42.059 -0.075 0.000 1.162 476 L HN 0.499 nan 8.230 nan 0.000 0.435 477 K N 2.835 123.232 120.400 -0.004 0.000 2.265 477 K HA 0.495 4.815 4.320 -0.000 0.000 0.267 477 K C -0.809 175.810 176.600 0.030 0.000 0.994 477 K CA -0.164 56.125 56.287 0.003 0.000 0.860 477 K CB 1.641 34.136 32.500 -0.010 0.000 1.099 477 K HN 0.613 nan 8.250 nan 0.000 0.448 478 S N 2.316 118.030 115.700 0.024 0.000 2.806 478 S HA 0.190 4.660 4.470 -0.000 0.000 0.306 478 S C -0.015 174.569 174.600 -0.027 0.000 1.167 478 S CA -0.540 57.650 58.200 -0.018 0.000 0.847 478 S CB 1.190 64.392 63.200 0.004 0.000 1.216 478 S HN 0.692 nan 8.310 nan 0.000 0.532 479 D N 1.073 121.442 120.400 -0.051 0.000 2.354 479 D HA -0.031 4.609 4.640 -0.000 0.000 0.216 479 D C 1.619 177.908 176.300 -0.018 0.000 0.970 479 D CA 1.619 55.598 54.000 -0.036 0.000 0.905 479 D CB -0.006 40.767 40.800 -0.046 0.000 0.903 479 D HN 0.411 nan 8.370 nan 0.000 0.508 480 S N -1.810 113.886 115.700 -0.006 0.000 2.524 480 S HA 0.490 4.960 4.470 -0.000 0.000 0.215 480 S C 1.056 175.657 174.600 0.002 0.000 0.986 480 S CA 0.152 58.354 58.200 0.003 0.000 0.911 480 S CB 1.062 64.273 63.200 0.018 0.000 0.805 480 S HN 0.323 nan 8.310 nan 0.000 0.501 481 G N 0.753 109.552 108.800 -0.000 0.000 2.316 481 G HA2 0.197 4.157 3.960 -0.000 0.000 0.349 481 G HA3 0.197 4.157 3.960 -0.000 0.000 0.349 481 G C -1.734 173.158 174.900 -0.013 0.000 1.274 481 G CA -0.563 44.532 45.100 -0.008 0.000 1.018 481 G HN 0.619 nan 8.290 nan 0.000 0.486 482 L N 0.718 121.923 121.223 -0.030 0.000 2.275 482 L HA 0.769 5.109 4.340 -0.000 0.000 0.288 482 L C 0.371 177.194 176.870 -0.078 0.000 1.046 482 L CA -0.555 54.251 54.840 -0.057 0.000 0.805 482 L CB 1.228 43.251 42.059 -0.060 0.000 1.193 482 L HN 0.659 nan 8.230 nan 0.000 0.426 483 K N 5.329 125.659 120.400 -0.116 0.000 2.389 483 K HA 0.672 4.992 4.320 -0.000 0.000 0.261 483 K C -0.618 175.829 176.600 -0.256 0.000 1.014 483 K CA -0.554 55.652 56.287 -0.135 0.000 0.920 483 K CB 1.074 33.515 32.500 -0.098 0.000 1.149 483 K HN 0.817 nan 8.250 nan 0.000 0.444 484 A N 3.727 126.423 122.820 -0.206 0.000 2.425 484 A HA 0.203 4.523 4.320 -0.000 0.000 0.242 484 A C -0.819 176.626 177.584 -0.232 0.000 1.077 484 A CA -0.077 51.807 52.037 -0.255 0.000 0.781 484 A CB -0.029 18.911 19.000 -0.100 0.000 1.020 484 A HN 0.667 nan 8.150 nan 0.000 0.494 485 Y N -0.101 120.220 120.300 0.035 0.000 2.304 485 Y HA 0.397 4.947 4.550 -0.000 0.000 0.327 485 Y C 1.040 176.986 175.900 0.076 0.000 1.209 485 Y CA -0.019 58.111 58.100 0.050 0.000 1.299 485 Y CB 0.839 39.336 38.460 0.061 0.000 1.249 485 Y HN 0.667 nan 8.280 nan 0.000 0.519 486 A N 2.239 125.222 122.820 0.273 0.000 3.091 486 A HA 0.679 4.999 4.320 -0.000 0.000 0.264 486 A C -0.039 177.692 177.584 0.245 0.000 1.673 486 A CA 0.243 52.416 52.037 0.226 0.000 1.362 486 A CB -1.309 17.826 19.000 0.224 0.000 1.137 486 A HN 0.755 nan 8.150 nan 0.000 0.617 487 A N 0.261 123.198 122.820 0.194 0.000 2.594 487 A HA 0.800 5.120 4.320 -0.000 0.000 0.295 487 A C -0.385 177.248 177.584 0.083 0.000 1.071 487 A CA 0.049 52.161 52.037 0.125 0.000 0.685 487 A CB 0.889 20.009 19.000 0.200 0.000 1.285 487 A HN 1.738 nan 8.150 nan 0.000 0.405 488 A N 0.971 123.785 122.820 -0.011 0.000 2.288 488 A HA 0.768 5.088 4.320 -0.000 0.000 0.320 488 A C -0.127 177.482 177.584 0.042 0.000 1.217 488 A CA -0.292 51.747 52.037 0.003 0.000 0.840 488 A CB 0.414 19.380 19.000 -0.056 0.000 1.179 488 A HN 0.888 nan 8.150 nan 0.000 0.504 489 T N 2.042 116.650 114.554 0.090 0.000 2.812 489 T HA 0.626 4.976 4.350 -0.000 0.000 0.282 489 T C 0.619 175.359 174.700 0.066 0.000 0.990 489 T CA 0.066 62.240 62.100 0.123 0.000 0.960 489 T CB 1.662 70.602 68.868 0.120 0.000 0.948 489 T HN 0.965 nan 8.240 nan 0.000 0.438 490 G N 1.271 110.108 108.800 0.062 0.000 2.568 490 G HA2 0.747 4.707 3.960 -0.000 0.000 0.293 490 G HA3 0.747 4.707 3.960 -0.000 0.000 0.293 490 G C 0.151 175.067 174.900 0.026 0.000 1.347 490 G CA -0.382 44.742 45.100 0.040 0.000 1.039 490 G HN 0.896 nan 8.290 nan 0.000 0.523 491 G N -1.837 106.977 108.800 0.023 0.000 3.212 491 G HA2 0.414 4.374 3.960 -0.000 0.000 0.188 491 G HA3 0.414 4.374 3.960 -0.000 0.000 0.188 491 G C 0.110 175.020 174.900 0.016 0.000 1.254 491 G CA -0.049 45.059 45.100 0.012 0.000 0.957 491 G HN 0.328 nan 8.290 nan 0.000 0.596 492 D N 0.010 120.418 120.400 0.013 0.000 2.263 492 D HA 0.050 4.689 4.640 -0.000 0.000 0.208 492 D C 1.590 177.904 176.300 0.023 0.000 0.971 492 D CA 0.976 54.986 54.000 0.016 0.000 0.867 492 D CB -0.183 40.625 40.800 0.012 0.000 0.929 492 D HN 0.348 nan 8.370 nan 0.000 0.492 493 G N -0.119 108.695 108.800 0.024 0.000 2.555 493 G HA2 0.171 4.131 3.960 -0.000 0.000 0.292 493 G HA3 0.171 4.131 3.960 -0.000 0.000 0.292 493 G C -0.493 174.428 174.900 0.034 0.000 1.271 493 G CA -0.527 44.590 45.100 0.027 0.000 1.004 493 G HN -0.143 nan 8.290 nan 0.000 0.497 494 D N 1.210 121.630 120.400 0.034 0.000 2.402 494 D HA 0.230 4.869 4.640 -0.000 0.000 0.235 494 D C -0.262 176.060 176.300 0.037 0.000 1.226 494 D CA 0.245 54.269 54.000 0.040 0.000 0.918 494 D CB 0.737 41.561 40.800 0.039 0.000 1.043 494 D HN 0.137 nan 8.370 nan 0.000 0.506 495 D N 0.691 121.115 120.400 0.040 0.000 2.193 495 D HA 0.264 4.903 4.640 -0.000 0.000 0.249 495 D C 0.019 176.340 176.300 0.035 0.000 1.034 495 D CA -0.577 53.444 54.000 0.034 0.000 0.902 495 D CB 2.452 43.272 40.800 0.033 0.000 1.182 495 D HN -0.024 nan 8.370 nan 0.000 0.436 496 V N 2.688 122.618 119.914 0.026 0.000 2.328 496 V HA 0.273 4.393 4.120 -0.000 0.000 0.278 496 V C 0.047 176.147 176.094 0.011 0.000 1.021 496 V CA -0.616 61.698 62.300 0.023 0.000 0.838 496 V CB 0.894 32.729 31.823 0.019 0.000 0.999 496 V HN 0.278 nan 8.190 nan 0.000 0.447 497 L N 5.116 126.341 121.223 0.003 0.000 2.298 497 L HA 0.584 4.923 4.340 -0.000 0.000 0.284 497 L C -0.190 176.650 176.870 -0.050 0.000 1.013 497 L CA -0.294 54.530 54.840 -0.027 0.000 0.824 497 L CB 1.609 43.640 42.059 -0.046 0.000 1.221 497 L HN 0.596 nan 8.230 nan 0.000 0.418 498 Q N 2.397 122.166 119.800 -0.051 0.000 2.307 498 Q HA 0.610 4.950 4.340 -0.000 0.000 0.262 498 Q C -0.296 175.638 176.000 -0.109 0.000 0.961 498 Q CA -0.548 55.216 55.803 -0.064 0.000 0.882 498 Q CB 1.976 30.698 28.738 -0.027 0.000 1.264 498 Q HN 0.752 nan 8.270 nan 0.000 0.446 499 A N 4.236 126.937 122.820 -0.198 0.000 2.511 499 A HA 0.268 4.588 4.320 -0.000 0.000 0.242 499 A C -0.292 177.218 177.584 -0.125 0.000 1.069 499 A CA 0.051 51.911 52.037 -0.296 0.000 0.763 499 A CB 0.329 18.918 19.000 -0.686 0.000 1.001 499 A HN 0.866 nan 8.150 nan 0.000 0.498 500 R N 1.517 121.985 120.500 -0.053 0.000 2.549 500 R HA 0.388 4.728 4.340 -0.000 0.000 0.259 500 R C 1.432 177.818 176.300 0.143 0.000 1.095 500 R CA -0.188 55.942 56.100 0.051 0.000 1.148 500 R CB 0.552 30.878 30.300 0.044 0.000 1.181 500 R HN 0.750 nan 8.270 nan 0.000 0.571 501 S N 0.408 116.163 115.700 0.092 0.000 2.374 501 S HA -0.183 4.287 4.470 -0.000 0.000 0.227 501 S C 0.993 175.496 174.600 -0.161 0.000 1.037 501 S CA 1.605 59.777 58.200 -0.047 0.000 1.024 501 S CB -0.278 62.866 63.200 -0.094 0.000 0.861 501 S HN 0.541 nan 8.310 nan 0.000 0.456 502 H N 0.129 119.235 119.070 0.060 0.000 2.542 502 H HA 0.316 4.872 4.556 -0.000 0.000 0.283 502 H C -0.678 174.684 175.328 0.056 0.000 1.059 502 H CA -0.525 55.552 56.048 0.048 0.000 1.162 502 H CB 0.191 29.969 29.762 0.028 0.000 1.539 502 H HN 0.138 nan 8.280 nan 0.000 0.543 503 D N 0.469 120.943 120.400 0.124 0.000 2.425 503 D HA 0.123 4.763 4.640 -0.000 0.000 0.247 503 D C 0.851 177.132 176.300 -0.032 0.000 1.147 503 D CA 0.222 54.238 54.000 0.027 0.000 0.879 503 D CB 1.503 42.245 40.800 -0.098 0.000 1.179 503 D HN 0.424 nan 8.370 nan 0.000 0.456 504 A N 3.027 125.831 122.820 -0.027 0.000 2.288 504 A HA 0.185 4.505 4.320 -0.000 0.000 0.216 504 A C -0.396 176.843 177.584 -0.574 0.000 1.199 504 A CA -0.062 51.835 52.037 -0.232 0.000 0.891 504 A CB 0.284 19.199 19.000 -0.141 0.000 0.923 504 A HN 0.523 nan 8.150 nan 0.000 0.500 505 W N -1.086 119.966 121.300 -0.414 0.000 3.032 505 W HA 0.679 5.338 4.660 -0.000 0.000 0.335 505 W C -0.972 175.046 176.519 -0.835 0.000 1.154 505 W CA -0.561 56.352 57.345 -0.720 0.000 1.204 505 W CB 1.082 29.990 29.460 -0.920 0.000 1.416 505 W HN -0.156 nan 8.180 nan 0.000 0.521 506 L N 2.977 123.751 121.223 -0.747 0.000 2.349 506 L HA 0.544 4.884 4.340 -0.000 0.000 0.278 506 L C -1.311 175.177 176.870 -0.636 0.000 0.996 506 L CA -0.824 53.648 54.840 -0.614 0.000 0.825 506 L CB 1.010 42.738 42.059 -0.552 0.000 1.243 506 L HN 0.245 nan 8.230 nan 0.000 0.412 507 F N 1.160 121.026 119.950 -0.140 0.000 2.382 507 F HA 0.372 4.898 4.527 -0.000 0.000 0.361 507 F C 1.221 176.976 175.800 -0.076 0.000 1.109 507 F CA -0.718 57.199 58.000 -0.138 0.000 1.031 507 F CB 1.620 40.502 39.000 -0.197 0.000 1.234 507 F HN 0.533 nan 8.300 nan 0.000 0.445 508 G N 1.795 110.665 108.800 0.117 0.000 2.421 508 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.217 508 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.217 508 G C 0.761 175.713 174.900 0.087 0.000 1.143 508 G CA 0.345 45.499 45.100 0.090 0.000 0.784 508 G HN 0.632 nan 8.290 nan 0.000 0.541 509 N N -0.323 118.436 118.700 0.099 0.000 1.673 509 N HA -0.194 4.546 4.740 -0.000 0.000 0.120 509 N C 0.713 176.262 175.510 0.065 0.000 0.843 509 N CA 0.966 54.051 53.050 0.060 0.000 0.859 509 N CB -1.308 37.187 38.487 0.014 0.000 0.883 509 N HN 0.701 nan 8.380 nan 0.000 0.676 510 A N -0.110 122.737 122.820 0.044 0.000 2.366 510 A HA 0.545 4.865 4.320 -0.000 0.000 0.250 510 A C 1.197 178.813 177.584 0.053 0.000 1.099 510 A CA 1.304 53.371 52.037 0.049 0.000 0.794 510 A CB -0.580 18.439 19.000 0.032 0.000 1.056 510 A HN 1.917 nan 8.150 nan 0.000 0.499 511 G N 0.050 108.883 108.800 0.056 0.000 2.756 511 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.678 511 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.678 511 G C -0.727 174.216 174.900 0.071 0.000 1.349 511 G CA -0.275 44.858 45.100 0.056 0.000 0.847 511 G HN 1.052 nan 8.290 nan 0.000 0.548 512 N N 2.119 120.859 118.700 0.068 0.000 2.558 512 N HA 0.377 5.117 4.740 -0.000 0.000 0.233 512 N C -0.609 174.948 175.510 0.079 0.000 1.038 512 N CA -0.208 52.890 53.050 0.079 0.000 0.934 512 N CB 0.837 39.366 38.487 0.071 0.000 1.175 512 N HN 0.512 nan 8.380 nan 0.000 0.512 513 D N 0.435 120.890 120.400 0.092 0.000 2.217 513 D HA 0.315 4.955 4.640 -0.000 0.000 0.248 513 D C -0.081 176.278 176.300 0.098 0.000 1.008 513 D CA -0.067 53.984 54.000 0.085 0.000 0.914 513 D CB 1.626 42.476 40.800 0.085 0.000 1.182 513 D HN 0.141 nan 8.370 nan 0.000 0.451 514 T N 1.578 116.182 114.554 0.083 0.000 2.772 514 T HA 0.369 4.719 4.350 -0.000 0.000 0.288 514 T C -0.252 174.505 174.700 0.094 0.000 0.994 514 T CA -0.570 61.586 62.100 0.093 0.000 0.951 514 T CB 0.509 69.416 68.868 0.065 0.000 0.933 514 T HN 0.012 nan 8.240 nan 0.000 0.447 515 L N 4.737 126.051 121.223 0.151 0.000 2.280 515 L HA 0.549 4.889 4.340 -0.000 0.000 0.287 515 L C -0.221 176.793 176.870 0.241 0.000 1.023 515 L CA -0.259 54.673 54.840 0.153 0.000 0.819 515 L CB 0.908 43.098 42.059 0.219 0.000 1.212 515 L HN 0.612 nan 8.230 nan 0.000 0.420 516 I N 2.575 123.207 120.570 0.103 0.000 2.362 516 I HA 0.514 4.684 4.170 -0.000 0.000 0.289 516 I C 0.955 177.098 176.117 0.044 0.000 0.994 516 I CA -0.470 60.902 61.300 0.119 0.000 1.158 516 I CB 1.646 39.674 38.000 0.046 0.000 1.315 516 I HN 0.661 nan 8.210 nan 0.000 0.451 517 G N 4.669 113.583 108.800 0.190 0.000 2.563 517 G HA2 0.399 4.359 3.960 -0.000 0.000 0.283 517 G HA3 0.399 4.359 3.960 -0.000 0.000 0.283 517 G C -0.592 174.332 174.900 0.041 0.000 1.309 517 G CA -0.321 44.825 45.100 0.078 0.000 1.022 517 G HN 0.841 nan 8.290 nan 0.000 0.501 518 H N -3.542 115.528 119.070 0.001 0.000 2.894 518 H HA 0.630 5.186 4.556 -0.000 0.000 0.368 518 H C 1.084 176.400 175.328 -0.020 0.000 1.181 518 H CA -0.572 55.462 56.048 -0.023 0.000 1.146 518 H CB 1.759 31.483 29.762 -0.063 0.000 1.839 518 H HN 0.510 nan 8.280 nan 0.000 0.557 519 A N 1.201 124.064 122.820 0.072 0.000 1.948 519 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 519 A C 2.227 179.756 177.584 -0.091 0.000 1.177 519 A CA 1.851 53.878 52.037 -0.017 0.000 0.636 519 A CB -1.376 17.599 19.000 -0.042 0.000 0.815 519 A HN 0.902 nan 8.150 nan 0.000 0.449 520 G N -1.654 106.985 108.800 -0.267 0.000 2.848 520 G HA2 0.385 4.345 3.960 -0.000 0.000 0.208 520 G HA3 0.385 4.345 3.960 -0.000 0.000 0.208 520 G C 1.172 175.966 174.900 -0.177 0.000 1.152 520 G CA 0.685 45.609 45.100 -0.292 0.000 0.789 520 G HN 1.503 nan 8.290 nan 0.000 0.531 521 G N 0.962 109.748 108.800 -0.023 0.000 2.574 521 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.282 521 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.282 521 G C 0.445 175.366 174.900 0.035 0.000 1.257 521 G CA 0.256 45.388 45.100 0.053 0.000 0.956 521 G HN 1.139 nan 8.290 nan 0.000 0.560 522 N N -2.156 116.518 118.700 -0.044 0.000 2.721 522 N HA -0.144 4.596 4.740 -0.000 0.000 0.249 522 N C -0.195 175.216 175.510 -0.165 0.000 1.072 522 N CA 0.741 53.727 53.050 -0.106 0.000 0.710 522 N CB -0.663 37.764 38.487 -0.100 0.000 0.993 522 N HN 0.912 nan 8.380 nan 0.000 0.547 523 L N 0.145 121.252 121.223 -0.194 0.000 2.334 523 L HA 0.541 4.881 4.340 -0.000 0.000 0.276 523 L C -0.235 176.338 176.870 -0.496 0.000 1.014 523 L CA -0.165 54.440 54.840 -0.391 0.000 0.815 523 L CB 2.027 43.801 42.059 -0.475 0.000 1.268 523 L HN -0.018 nan 8.230 nan 0.000 0.428 524 T N 5.105 119.237 114.554 -0.704 0.000 2.756 524 T HA 0.477 4.827 4.350 -0.000 0.000 0.290 524 T C -0.545 173.804 174.700 -0.586 0.000 0.985 524 T CA 0.117 61.825 62.100 -0.653 0.000 0.955 524 T CB -0.041 68.246 68.868 -0.967 0.000 0.930 524 T HN 0.252 nan 8.240 nan 0.000 0.451 525 F N 2.412 122.024 119.950 -0.563 0.000 2.411 525 F HA 0.474 5.001 4.527 -0.000 0.000 0.355 525 F C 0.264 175.860 175.800 -0.339 0.000 1.117 525 F CA -0.844 56.916 58.000 -0.399 0.000 1.139 525 F CB 1.111 39.942 39.000 -0.283 0.000 1.120 525 F HN 0.190 nan 8.300 nan 0.000 0.493 526 V N 3.657 123.488 119.914 -0.139 0.000 2.327 526 V HA 0.234 4.353 4.120 -0.000 0.000 0.272 526 V C 0.843 176.956 176.094 0.033 0.000 1.019 526 V CA -0.544 61.714 62.300 -0.071 0.000 0.814 526 V CB 0.810 32.657 31.823 0.040 0.000 1.040 526 V HN 1.028 nan 8.190 nan 0.000 0.440 527 G N 2.391 111.222 108.800 0.052 0.000 2.448 527 G HA2 0.295 4.255 3.960 -0.000 0.000 0.219 527 G HA3 0.295 4.255 3.960 -0.000 0.000 0.219 527 G C 0.984 175.977 174.900 0.154 0.000 1.127 527 G CA 1.022 46.202 45.100 0.135 0.000 0.766 527 G HN 1.448 nan 8.290 nan 0.000 0.552 528 G N -0.643 108.257 108.800 0.167 0.000 2.645 528 G HA2 0.001 3.960 3.960 -0.000 0.000 0.239 528 G HA3 0.001 3.960 3.960 -0.000 0.000 0.239 528 G C 0.490 175.516 174.900 0.210 0.000 1.331 528 G CA 0.644 45.854 45.100 0.182 0.000 0.890 528 G HN 1.605 nan 8.290 nan 0.000 0.572 529 S N 0.052 115.850 115.700 0.164 0.000 2.587 529 S HA 0.631 5.101 4.470 -0.000 0.000 0.260 529 S C 1.296 175.976 174.600 0.133 0.000 1.353 529 S CA 1.109 59.398 58.200 0.148 0.000 0.995 529 S CB 1.001 64.260 63.200 0.099 0.000 0.912 529 S HN 2.934 nan 8.310 nan 0.000 0.568 530 G N 0.683 109.550 108.800 0.113 0.000 2.796 530 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.571 530 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.571 530 G C -1.558 173.421 174.900 0.131 0.000 1.370 530 G CA -0.272 44.889 45.100 0.102 0.000 0.856 530 G HN 0.892 nan 8.290 nan 0.000 0.538 531 D N 1.672 122.141 120.400 0.114 0.000 2.412 531 D HA 0.479 5.118 4.640 -0.000 0.000 0.224 531 D C -0.324 176.061 176.300 0.141 0.000 1.093 531 D CA -0.051 54.026 54.000 0.127 0.000 0.850 531 D CB 1.023 41.880 40.800 0.094 0.000 1.046 531 D HN 0.368 nan 8.370 nan 0.000 0.507 532 D N 1.560 122.069 120.400 0.181 0.000 2.252 532 D HA 0.412 5.052 4.640 -0.000 0.000 0.245 532 D C 0.412 176.831 176.300 0.198 0.000 1.009 532 D CA -0.475 53.635 54.000 0.184 0.000 0.870 532 D CB 2.357 43.279 40.800 0.204 0.000 1.251 532 D HN 0.217 nan 8.370 nan 0.000 0.460 533 I N 1.708 122.391 120.570 0.189 0.000 2.336 533 I HA 0.246 4.416 4.170 -0.000 0.000 0.292 533 I C -0.357 175.904 176.117 0.239 0.000 0.991 533 I CA -0.591 60.841 61.300 0.220 0.000 1.227 533 I CB 1.024 39.138 38.000 0.190 0.000 1.366 533 I HN 0.044 nan 8.210 nan 0.000 0.466 534 L N 7.246 128.624 121.223 0.258 0.000 2.316 534 L HA 0.467 4.807 4.340 -0.000 0.000 0.280 534 L C -0.345 176.633 176.870 0.179 0.000 1.006 534 L CA -0.687 54.298 54.840 0.242 0.000 0.836 534 L CB 0.941 43.112 42.059 0.186 0.000 1.221 534 L HN 0.471 nan 8.230 nan 0.000 0.418 535 K N 2.994 123.531 120.400 0.229 0.000 2.296 535 K HA 0.351 4.670 4.320 -0.000 0.000 0.257 535 K C 0.402 177.108 176.600 0.176 0.000 1.088 535 K CA -0.392 56.004 56.287 0.180 0.000 0.980 535 K CB 1.567 34.142 32.500 0.125 0.000 1.430 535 K HN 0.753 nan 8.250 nan 0.000 0.441 536 G N 1.509 110.348 108.800 0.066 0.000 2.398 536 G HA2 0.299 4.259 3.960 -0.000 0.000 0.246 536 G HA3 0.299 4.259 3.960 -0.000 0.000 0.246 536 G C -0.362 174.643 174.900 0.176 0.000 1.289 536 G CA -0.213 44.967 45.100 0.134 0.000 0.869 536 G HN 0.299 nan 8.290 nan 0.000 0.543 537 V N 2.403 122.441 119.914 0.207 0.000 2.638 537 V HA 0.840 4.960 4.120 -0.000 0.000 0.306 537 V C 0.874 177.037 176.094 0.115 0.000 1.052 537 V CA 0.536 62.922 62.300 0.143 0.000 0.885 537 V CB 0.835 32.745 31.823 0.145 0.000 0.999 537 V HN 1.800 nan 8.190 nan 0.000 0.424 538 G N 5.070 113.906 108.800 0.061 0.000 2.598 538 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.244 538 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.244 538 G C -0.550 174.354 174.900 0.006 0.000 1.302 538 G CA -0.071 45.044 45.100 0.024 0.000 0.903 538 G HN 0.741 nan 8.290 nan 0.000 0.575 539 N N 0.859 119.548 118.700 -0.019 0.000 2.404 539 N HA 0.602 5.342 4.740 -0.000 0.000 0.297 539 N C 0.909 176.387 175.510 -0.053 0.000 1.163 539 N CA 0.890 53.914 53.050 -0.044 0.000 0.864 539 N CB 1.217 39.673 38.487 -0.051 0.000 1.247 539 N HN 2.227 nan 8.380 nan 0.000 0.510 540 G N 0.280 109.036 108.800 -0.074 0.000 2.176 540 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.252 540 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.252 540 G C -0.395 174.440 174.900 -0.109 0.000 1.024 540 G CA -0.283 44.767 45.100 -0.084 0.000 0.755 540 G HN 0.586 nan 8.290 nan 0.000 0.507 541 N N 0.310 118.942 118.700 -0.114 0.000 2.513 541 N HA 0.473 5.213 4.740 -0.000 0.000 0.274 541 N C -0.124 175.209 175.510 -0.295 0.000 1.189 541 N CA 0.365 53.286 53.050 -0.216 0.000 0.975 541 N CB 1.089 39.435 38.487 -0.234 0.000 1.157 541 N HN 0.145 nan 8.380 nan 0.000 0.465 542 T N 1.648 115.954 114.554 -0.414 0.000 2.807 542 T HA 0.483 4.833 4.350 -0.000 0.000 0.279 542 T C -0.506 173.878 174.700 -0.527 0.000 0.993 542 T CA -0.402 61.506 62.100 -0.320 0.000 0.970 542 T CB 0.266 68.983 68.868 -0.253 0.000 0.950 542 T HN 0.187 nan 8.240 nan 0.000 0.441 543 F N 3.054 122.958 119.950 -0.078 0.000 2.402 543 F HA 0.594 5.121 4.527 -0.000 0.000 0.355 543 F C -0.209 175.247 175.800 -0.575 0.000 1.123 543 F CA -1.113 56.737 58.000 -0.250 0.000 1.021 543 F CB 1.127 40.070 39.000 -0.096 0.000 1.160 543 F HN 0.258 nan 8.300 nan 0.000 0.451 544 L N 5.082 125.899 121.223 -0.676 0.000 2.322 544 L HA 0.733 5.073 4.340 -0.000 0.000 0.281 544 L C -1.650 174.644 176.870 -0.960 0.000 1.014 544 L CA -0.697 53.783 54.840 -0.599 0.000 0.815 544 L CB 0.831 42.785 42.059 -0.174 0.000 1.247 544 L HN 0.393 nan 8.230 nan 0.000 0.421 545 F N 3.101 122.813 119.950 -0.397 0.000 2.557 545 F HA 0.678 5.205 4.527 -0.000 0.000 0.316 545 F C 0.066 175.691 175.800 -0.292 0.000 1.141 545 F CA -0.544 57.113 58.000 -0.571 0.000 0.922 545 F CB 2.271 40.440 39.000 -1.384 0.000 1.194 545 F HN 0.447 nan 8.300 nan 0.000 0.443 546 S N 1.543 117.316 115.700 0.121 0.000 2.549 546 S HA 0.769 5.239 4.470 -0.000 0.000 0.280 546 S C 0.138 174.945 174.600 0.345 0.000 1.109 546 S CA 0.208 58.540 58.200 0.219 0.000 0.905 546 S CB 1.369 64.666 63.200 0.162 0.000 1.081 546 S HN 1.488 nan 8.310 nan 0.000 0.477 547 G N 3.639 112.643 108.800 0.341 0.000 2.596 547 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.295 547 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.295 547 G C -0.970 174.134 174.900 0.340 0.000 1.240 547 G CA 0.426 45.713 45.100 0.312 0.000 0.985 547 G HN 0.749 nan 8.290 nan 0.000 0.555 548 D N 1.743 122.277 120.400 0.224 0.000 2.422 548 D HA 0.438 5.077 4.640 -0.000 0.000 0.227 548 D C 1.003 177.397 176.300 0.157 0.000 1.190 548 D CA 0.117 54.188 54.000 0.119 0.000 0.905 548 D CB -0.237 40.601 40.800 0.064 0.000 1.034 548 D HN 0.456 nan 8.370 nan 0.000 0.507 549 F N -0.017 120.023 119.950 0.149 0.000 2.664 549 F HA 0.426 4.953 4.527 -0.000 0.000 0.303 549 F C 1.132 177.035 175.800 0.172 0.000 1.092 549 F CA -0.307 57.799 58.000 0.178 0.000 1.305 549 F CB -0.034 39.122 39.000 0.260 0.000 1.054 549 F HN 0.336 nan 8.300 nan 0.000 0.565 550 G N 1.982 110.695 108.800 -0.144 0.000 2.598 550 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.244 550 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.244 550 G C -0.508 174.353 174.900 -0.064 0.000 1.302 550 G CA -0.429 44.639 45.100 -0.052 0.000 0.903 550 G HN 0.570 nan 8.290 nan 0.000 0.575 551 R N 0.890 121.423 120.500 0.054 0.000 2.275 551 R HA 0.484 4.824 4.340 -0.000 0.000 0.326 551 R C -1.359 175.032 176.300 0.152 0.000 0.973 551 R CA -0.768 55.379 56.100 0.079 0.000 0.854 551 R CB 1.135 31.463 30.300 0.047 0.000 1.156 551 R HN 0.452 nan 8.270 nan 0.000 0.487 552 D N 1.873 122.406 120.400 0.222 0.000 2.217 552 D HA 0.223 4.863 4.640 -0.000 0.000 0.248 552 D C -0.332 176.054 176.300 0.142 0.000 1.008 552 D CA -0.400 53.746 54.000 0.244 0.000 0.914 552 D CB 1.542 42.592 40.800 0.416 0.000 1.182 552 D HN 0.226 nan 8.370 nan 0.000 0.451 553 Q N 0.698 120.573 119.800 0.126 0.000 2.331 553 Q HA 0.527 4.866 4.340 -0.000 0.000 0.267 553 Q C -0.898 175.102 176.000 0.000 0.000 1.006 553 Q CA -0.600 55.214 55.803 0.018 0.000 0.818 553 Q CB 2.625 31.400 28.738 0.062 0.000 1.276 553 Q HN 0.298 nan 8.270 nan 0.000 0.450 554 L N 3.873 124.989 121.223 -0.177 0.000 2.316 554 L HA 0.484 4.824 4.340 -0.000 0.000 0.280 554 L C -1.608 175.087 176.870 -0.292 0.000 1.006 554 L CA -0.658 54.055 54.840 -0.212 0.000 0.836 554 L CB 0.603 42.457 42.059 -0.343 0.000 1.221 554 L HN 0.653 nan 8.230 nan 0.000 0.418 555 Y N 2.692 122.925 120.300 -0.111 0.000 2.387 555 Y HA 0.522 5.072 4.550 -0.000 0.000 0.330 555 Y C 1.271 177.139 175.900 -0.053 0.000 1.133 555 Y CA 0.236 58.302 58.100 -0.057 0.000 1.152 555 Y CB 1.983 40.436 38.460 -0.012 0.000 1.215 555 Y HN 0.744 nan 8.280 nan 0.000 0.466 556 G N 1.809 110.692 108.800 0.139 0.000 2.147 556 G HA2 -0.323 3.636 3.960 -0.000 0.000 0.244 556 G HA3 -0.323 3.636 3.960 -0.000 0.000 0.244 556 G C -0.273 174.675 174.900 0.081 0.000 1.005 556 G CA -0.475 44.687 45.100 0.104 0.000 0.713 556 G HN 0.511 nan 8.290 nan 0.000 0.515 557 F N 1.989 121.875 119.950 -0.108 0.000 2.518 557 F HA 0.487 5.013 4.527 -0.000 0.000 0.359 557 F C 0.661 176.440 175.800 -0.035 0.000 1.118 557 F CA 0.370 58.301 58.000 -0.115 0.000 1.287 557 F CB 0.617 39.492 39.000 -0.208 0.000 1.132 557 F HN 0.574 nan 8.300 nan 0.000 0.587 558 N N 2.881 121.274 118.700 -0.512 0.000 2.902 558 N HA 0.500 5.239 4.740 -0.000 0.000 0.268 558 N C -0.371 174.889 175.510 -0.418 0.000 1.450 558 N CA -0.346 52.522 53.050 -0.303 0.000 0.819 558 N CB 0.823 39.215 38.487 -0.160 0.000 1.540 558 N HN 0.447 nan 8.380 nan 0.000 0.545 559 A N -0.589 122.120 122.820 -0.186 0.000 2.172 559 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 559 A C 1.563 179.072 177.584 -0.126 0.000 1.154 559 A CA 1.657 53.627 52.037 -0.111 0.000 0.701 559 A CB -1.154 17.822 19.000 -0.039 0.000 0.789 559 A HN 0.813 nan 8.150 nan 0.000 0.465 560 S N -0.814 114.786 115.700 -0.166 0.000 2.535 560 S HA 0.097 4.567 4.470 -0.000 0.000 0.214 560 S C -0.004 174.505 174.600 -0.153 0.000 0.980 560 S CA -0.285 57.840 58.200 -0.124 0.000 0.907 560 S CB -0.048 63.095 63.200 -0.095 0.000 0.790 560 S HN 0.369 nan 8.310 nan 0.000 0.510 561 D N 1.752 121.975 120.400 -0.296 0.000 2.340 561 D HA 0.474 5.114 4.640 -0.000 0.000 0.251 561 D C -0.458 175.798 176.300 -0.073 0.000 1.080 561 D CA -0.179 53.667 54.000 -0.255 0.000 0.971 561 D CB 1.084 41.598 40.800 -0.477 0.000 1.137 561 D HN 0.230 nan 8.370 nan 0.000 0.475 562 K N 0.509 121.005 120.400 0.160 0.000 2.422 562 K HA 0.532 4.852 4.320 -0.000 0.000 0.251 562 K C -1.369 175.455 176.600 0.373 0.000 0.933 562 K CA -0.642 55.790 56.287 0.242 0.000 0.798 562 K CB 1.296 33.855 32.500 0.098 0.000 1.238 562 K HN 0.282 nan 8.250 nan 0.000 0.428 563 L N 3.509 124.903 121.223 0.285 0.000 2.322 563 L HA 0.565 4.905 4.340 -0.000 0.000 0.281 563 L C -0.927 175.883 176.870 -0.099 0.000 1.014 563 L CA -1.223 53.684 54.840 0.112 0.000 0.815 563 L CB 1.914 44.019 42.059 0.075 0.000 1.247 563 L HN 0.283 nan 8.230 nan 0.000 0.421 564 V N 3.217 122.960 119.914 -0.284 0.000 2.483 564 V HA 0.458 4.578 4.120 -0.000 0.000 0.297 564 V C -0.860 174.970 176.094 -0.440 0.000 1.027 564 V CA -0.425 61.712 62.300 -0.272 0.000 0.855 564 V CB 1.676 33.435 31.823 -0.107 0.000 0.995 564 V HN 0.389 nan 8.190 nan 0.000 0.424 565 F N 5.227 125.140 119.950 -0.061 0.000 2.449 565 F HA 0.685 5.212 4.527 -0.000 0.000 0.342 565 F C 0.005 175.777 175.800 -0.048 0.000 1.127 565 F CA -0.598 57.335 58.000 -0.112 0.000 0.975 565 F CB 1.568 40.428 39.000 -0.233 0.000 1.146 565 F HN 0.237 nan 8.300 nan 0.000 0.444 566 I N 2.413 123.075 120.570 0.154 0.000 2.447 566 I HA 0.499 4.669 4.170 -0.000 0.000 0.287 566 I C 0.503 176.770 176.117 0.250 0.000 1.023 566 I CA -0.956 60.440 61.300 0.161 0.000 1.083 566 I CB 1.780 39.840 38.000 0.100 0.000 1.245 566 I HN 0.802 nan 8.210 nan 0.000 0.434 567 G N 3.836 112.848 108.800 0.354 0.000 2.314 567 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.292 567 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.292 567 G C 0.040 175.144 174.900 0.339 0.000 1.059 567 G CA 0.438 45.792 45.100 0.423 0.000 0.982 567 G HN 0.806 nan 8.290 nan 0.000 0.505 568 T N -2.438 112.318 114.554 0.336 0.000 2.945 568 T HA 0.677 5.027 4.350 -0.000 0.000 0.286 568 T C 0.208 175.155 174.700 0.412 0.000 1.025 568 T CA -0.728 61.587 62.100 0.357 0.000 1.039 568 T CB 2.123 71.149 68.868 0.263 0.000 1.068 568 T HN 0.340 nan 8.240 nan 0.000 0.497 569 E N 0.391 120.837 120.200 0.410 0.000 2.481 569 E HA 0.405 4.755 4.350 -0.000 0.000 0.263 569 E C 0.641 177.467 176.600 0.377 0.000 0.992 569 E CA 0.841 57.457 56.400 0.360 0.000 0.938 569 E CB 0.007 29.875 29.700 0.280 0.000 0.933 569 E HN 1.164 nan 8.360 nan 0.000 0.453 570 G N 0.816 109.693 108.800 0.128 0.000 2.770 570 G HA2 0.058 4.017 3.960 -0.000 0.000 0.686 570 G HA3 0.058 4.017 3.960 -0.000 0.000 0.686 570 G C 0.061 174.867 174.900 -0.157 0.000 1.180 570 G CA -0.353 44.727 45.100 -0.033 0.000 0.767 570 G HN 0.559 nan 8.290 nan 0.000 0.646 571 A N 1.047 123.667 122.820 -0.335 0.000 2.140 571 A HA 0.701 5.021 4.320 -0.000 0.000 0.209 571 A C 1.725 179.327 177.584 0.031 0.000 1.181 571 A CA 1.684 53.597 52.037 -0.208 0.000 0.824 571 A CB -0.044 18.794 19.000 -0.270 0.000 0.879 571 A HN 2.271 nan 8.150 nan 0.000 0.480 572 S N -0.068 115.636 115.700 0.007 0.000 2.560 572 S HA 0.359 4.829 4.470 -0.000 0.000 0.284 572 S C 1.155 175.877 174.600 0.203 0.000 1.327 572 S CA 0.207 58.441 58.200 0.057 0.000 1.055 572 S CB 0.990 64.144 63.200 -0.077 0.000 0.868 572 S HN 0.530 nan 8.310 nan 0.000 0.506 573 G N 3.244 112.124 108.800 0.133 0.000 3.189 573 G HA2 0.085 4.045 3.960 -0.000 0.000 0.225 573 G HA3 0.085 4.045 3.960 -0.000 0.000 0.225 573 G C 0.276 175.240 174.900 0.107 0.000 1.159 573 G CA -0.339 44.835 45.100 0.123 0.000 0.763 573 G HN 0.652 nan 8.290 nan 0.000 0.549 574 N N 0.943 119.719 118.700 0.127 0.000 2.469 574 N HA 0.168 4.908 4.740 -0.000 0.000 0.253 574 N C 0.919 176.521 175.510 0.152 0.000 0.970 574 N CA -0.774 52.331 53.050 0.092 0.000 0.940 574 N CB 1.385 39.898 38.487 0.042 0.000 1.128 574 N HN -0.088 nan 8.380 nan 0.000 0.503 575 I N 3.896 124.519 120.570 0.089 0.000 2.530 575 I HA -0.115 4.055 4.170 -0.000 0.000 0.257 575 I C 2.217 178.389 176.117 0.092 0.000 1.179 575 I CA 1.062 62.395 61.300 0.054 0.000 1.440 575 I CB -0.097 37.888 38.000 -0.026 0.000 1.087 575 I HN 0.595 nan 8.210 nan 0.000 0.440 576 R N 0.184 120.711 120.500 0.046 0.000 2.189 576 R HA -0.159 4.181 4.340 -0.000 0.000 0.223 576 R C 1.337 177.616 176.300 -0.036 0.000 1.092 576 R CA 1.494 57.593 56.100 -0.003 0.000 0.989 576 R CB -0.296 29.995 30.300 -0.016 0.000 0.876 576 R HN 0.356 nan 8.270 nan 0.000 0.457 577 D N -0.498 119.878 120.400 -0.040 0.000 2.348 577 D HA -0.126 4.514 4.640 -0.000 0.000 0.216 577 D C 0.620 176.692 176.300 -0.380 0.000 0.970 577 D CA 1.020 54.892 54.000 -0.214 0.000 0.889 577 D CB 0.059 40.682 40.800 -0.295 0.000 0.912 577 D HN 0.419 nan 8.370 nan 0.000 0.524 578 Y N 0.033 120.157 120.300 -0.294 0.000 2.458 578 Y HA 0.375 4.925 4.550 -0.000 0.000 0.256 578 Y C 0.955 176.661 175.900 -0.324 0.000 1.159 578 Y CA -0.400 57.446 58.100 -0.423 0.000 1.261 578 Y CB 0.584 38.608 38.460 -0.727 0.000 1.119 578 Y HN -0.188 nan 8.280 nan 0.000 0.524 579 A N 0.801 123.568 122.820 -0.088 0.000 2.312 579 A HA 0.712 5.031 4.320 -0.000 0.000 0.326 579 A C -0.035 177.496 177.584 -0.088 0.000 1.172 579 A CA -0.251 51.735 52.037 -0.085 0.000 0.821 579 A CB 0.367 19.328 19.000 -0.065 0.000 1.166 579 A HN 0.177 nan 8.150 nan 0.000 0.493 580 T N -0.147 114.358 114.554 -0.081 0.000 2.971 580 T HA 0.543 4.893 4.350 -0.000 0.000 0.304 580 T C -0.798 173.865 174.700 -0.062 0.000 1.038 580 T CA -0.652 61.405 62.100 -0.071 0.000 1.007 580 T CB 1.462 70.286 68.868 -0.073 0.000 1.055 580 T HN 0.592 nan 8.240 nan 0.000 0.451 581 Q N 1.770 121.538 119.800 -0.054 0.000 2.294 581 Q HA 0.394 4.734 4.340 -0.000 0.000 0.257 581 Q C -0.744 175.231 176.000 -0.042 0.000 0.955 581 Q CA 0.114 55.889 55.803 -0.046 0.000 0.936 581 Q CB 0.902 29.616 28.738 -0.039 0.000 1.188 581 Q HN 0.711 nan 8.270 nan 0.000 0.420 582 Q N 4.044 123.820 119.800 -0.041 0.000 2.413 582 Q HA 0.338 4.678 4.340 -0.000 0.000 0.258 582 Q C -0.467 175.516 176.000 -0.029 0.000 1.037 582 Q CA -0.383 55.399 55.803 -0.035 0.000 0.764 582 Q CB 0.944 29.660 28.738 -0.037 0.000 1.217 582 Q HN 0.907 nan 8.270 nan 0.000 0.490 583 N N 0.988 119.675 118.700 -0.022 0.000 1.188 583 N HA -0.268 4.472 4.740 -0.000 0.000 0.128 583 N C -0.381 175.121 175.510 -0.015 0.000 0.759 583 N CA 1.729 54.769 53.050 -0.016 0.000 0.905 583 N CB -0.466 38.013 38.487 -0.013 0.000 1.156 583 N HN 0.578 nan 8.380 nan 0.000 0.553 584 D N 1.261 121.654 120.400 -0.012 0.000 2.328 584 D HA 0.115 4.755 4.640 -0.000 0.000 0.226 584 D C -0.726 175.560 176.300 -0.023 0.000 1.066 584 D CA 0.762 54.757 54.000 -0.008 0.000 0.861 584 D CB -0.299 40.501 40.800 0.000 0.000 0.912 584 D HN 0.257 nan 8.370 nan 0.000 0.521 585 D N 0.524 120.900 120.400 -0.040 0.000 2.342 585 D HA 0.299 4.939 4.640 -0.000 0.000 0.243 585 D C -0.385 175.875 176.300 -0.067 0.000 1.019 585 D CA -0.676 53.284 54.000 -0.067 0.000 0.864 585 D CB 2.481 43.230 40.800 -0.085 0.000 1.315 585 D HN -0.106 nan 8.370 nan 0.000 0.468 586 L N 1.553 122.723 121.223 -0.088 0.000 2.287 586 L HA 0.383 4.723 4.340 -0.000 0.000 0.287 586 L C -1.218 175.594 176.870 -0.097 0.000 1.022 586 L CA -0.579 54.208 54.840 -0.088 0.000 0.814 586 L CB 1.512 43.512 42.059 -0.098 0.000 1.217 586 L HN 0.121 nan 8.230 nan 0.000 0.420 587 V N 6.738 126.605 119.914 -0.079 0.000 2.370 587 V HA 0.385 4.505 4.120 -0.000 0.000 0.283 587 V C -0.028 176.026 176.094 -0.068 0.000 1.023 587 V CA -0.529 61.731 62.300 -0.067 0.000 0.857 587 V CB 1.305 33.094 31.823 -0.056 0.000 0.985 587 V HN 0.562 nan 8.190 nan 0.000 0.443 588 L N 5.029 126.226 121.223 -0.044 0.000 2.277 588 L HA 0.734 5.074 4.340 -0.000 0.000 0.284 588 L C 0.396 177.261 176.870 -0.008 0.000 1.028 588 L CA -0.330 54.474 54.840 -0.061 0.000 0.835 588 L CB 1.243 43.300 42.059 -0.003 0.000 1.215 588 L HN 0.708 nan 8.230 nan 0.000 0.425 589 A N 3.572 126.298 122.820 -0.157 0.000 2.276 589 A HA 0.737 5.057 4.320 -0.000 0.000 0.316 589 A C -0.653 176.789 177.584 -0.237 0.000 1.229 589 A CA -0.243 51.741 52.037 -0.089 0.000 0.851 589 A CB 0.199 19.136 19.000 -0.104 0.000 1.165 589 A HN 0.630 nan 8.150 nan 0.000 0.513 590 F N 2.903 122.860 119.950 0.012 0.000 2.627 590 F HA 0.453 4.980 4.527 -0.000 0.000 0.329 590 F C 1.410 177.192 175.800 -0.031 0.000 1.378 590 F CA 0.579 58.612 58.000 0.056 0.000 1.134 590 F CB 0.742 39.803 39.000 0.102 0.000 1.229 590 F HN 1.067 nan 8.300 nan 0.000 0.537 591 G N 0.960 109.765 108.800 0.007 0.000 2.620 591 G HA2 -0.434 3.525 3.960 -0.000 0.000 0.315 591 G HA3 -0.434 3.525 3.960 -0.000 0.000 0.315 591 G C 0.892 175.693 174.900 -0.164 0.000 1.179 591 G CA 0.876 45.905 45.100 -0.118 0.000 0.971 591 G HN 0.536 nan 8.290 nan 0.000 0.544 592 H N 1.433 120.494 119.070 -0.014 0.000 2.524 592 H HA 0.431 4.987 4.556 -0.000 0.000 0.282 592 H C 1.513 176.770 175.328 -0.119 0.000 1.016 592 H CA 0.961 56.980 56.048 -0.047 0.000 1.270 592 H CB 0.123 29.865 29.762 -0.033 0.000 1.394 592 H HN 0.343 nan 8.280 nan 0.000 0.568 593 S N 0.354 115.990 115.700 -0.107 0.000 2.664 593 S HA 0.479 4.949 4.470 -0.000 0.000 0.304 593 S C -0.504 173.965 174.600 -0.219 0.000 1.099 593 S CA -1.010 56.924 58.200 -0.444 0.000 1.003 593 S CB 2.263 64.681 63.200 -1.302 0.000 1.092 593 S HN 0.446 nan 8.310 nan 0.000 0.525 594 Q N -0.994 118.700 119.800 -0.177 0.000 2.647 594 Q HA 0.706 5.046 4.340 -0.000 0.000 0.283 594 Q C -2.128 174.024 176.000 0.253 0.000 0.943 594 Q CA -0.960 54.946 55.803 0.173 0.000 0.813 594 Q CB 1.543 30.331 28.738 0.082 0.000 1.477 594 Q HN 0.476 nan 8.270 nan 0.000 0.393 595 V N 0.928 120.961 119.914 0.199 0.000 2.638 595 V HA 0.629 4.749 4.120 -0.000 0.000 0.306 595 V C -1.284 174.798 176.094 -0.019 0.000 1.052 595 V CA -0.088 62.245 62.300 0.056 0.000 0.885 595 V CB 2.195 33.906 31.823 -0.187 0.000 0.999 595 V HN 0.921 nan 8.190 nan 0.000 0.424 596 T N 8.299 122.824 114.554 -0.047 0.000 2.749 596 T HA 0.556 4.906 4.350 -0.000 0.000 0.287 596 T C -0.494 174.093 174.700 -0.188 0.000 0.970 596 T CA -0.111 61.927 62.100 -0.104 0.000 0.980 596 T CB 0.810 69.624 68.868 -0.092 0.000 0.924 596 T HN 0.442 nan 8.240 nan 0.000 0.456 597 L N 4.809 125.904 121.223 -0.214 0.000 2.259 597 L HA 0.407 4.746 4.340 -0.000 0.000 0.288 597 L C -0.015 176.714 176.870 -0.234 0.000 1.051 597 L CA -0.336 54.339 54.840 -0.274 0.000 0.824 597 L CB 0.186 42.042 42.059 -0.339 0.000 1.206 597 L HN 0.558 nan 8.230 nan 0.000 0.429 598 I N 3.521 123.902 120.570 -0.315 0.000 2.556 598 I HA 0.277 4.447 4.170 -0.000 0.000 0.284 598 I C 1.365 177.406 176.117 -0.127 0.000 1.114 598 I CA 0.587 61.719 61.300 -0.280 0.000 1.418 598 I CB 0.411 38.090 38.000 -0.535 0.000 1.394 598 I HN 0.794 nan 8.210 nan 0.000 0.552 599 G N 4.075 112.834 108.800 -0.070 0.000 2.198 599 G HA2 -0.154 3.805 3.960 -0.000 0.000 0.260 599 G HA3 -0.154 3.805 3.960 -0.000 0.000 0.260 599 G C -0.128 174.776 174.900 0.005 0.000 1.025 599 G CA 0.146 45.236 45.100 -0.016 0.000 0.769 599 G HN 0.505 nan 8.290 nan 0.000 0.507 600 V N 0.256 120.166 119.914 -0.006 0.000 2.769 600 V HA 0.857 4.977 4.120 -0.000 0.000 0.312 600 V C 0.395 176.514 176.094 0.041 0.000 1.061 600 V CA -0.100 62.222 62.300 0.036 0.000 0.931 600 V CB 2.206 34.030 31.823 0.000 0.000 1.010 600 V HN 1.026 nan 8.190 nan 0.000 0.433 601 S N 2.955 118.726 115.700 0.117 0.000 2.536 601 S HA 0.555 5.025 4.470 -0.000 0.000 0.298 601 S C 0.327 174.950 174.600 0.037 0.000 1.083 601 S CA -0.614 57.624 58.200 0.062 0.000 0.995 601 S CB 1.924 65.160 63.200 0.059 0.000 1.058 601 S HN 0.582 nan 8.310 nan 0.000 0.488 602 L N 1.585 122.796 121.223 -0.020 0.000 2.127 602 L HA -0.056 4.284 4.340 -0.000 0.000 0.211 602 L C 1.741 178.589 176.870 -0.037 0.000 1.089 602 L CA 2.291 57.116 54.840 -0.026 0.000 0.757 602 L CB -0.909 41.125 42.059 -0.041 0.000 0.899 602 L HN 0.937 nan 8.230 nan 0.000 0.434 603 D N -2.801 117.530 120.400 -0.116 0.000 2.378 603 D HA -0.185 4.455 4.640 -0.000 0.000 0.227 603 D C 1.272 177.440 176.300 -0.220 0.000 1.012 603 D CA 1.142 55.033 54.000 -0.182 0.000 0.905 603 D CB -0.674 39.977 40.800 -0.249 0.000 0.895 603 D HN 0.582 nan 8.370 nan 0.000 0.532 604 H N -0.890 118.201 119.070 0.036 0.000 2.652 604 H HA 0.388 4.943 4.556 -0.000 0.000 0.274 604 H C 0.072 175.451 175.328 0.086 0.000 1.021 604 H CA -0.408 55.672 56.048 0.053 0.000 1.187 604 H CB 0.691 30.486 29.762 0.056 0.000 1.505 604 H HN 0.091 nan 8.280 nan 0.000 0.530 605 I N 2.125 122.798 120.570 0.171 0.000 2.321 605 I HA 0.145 4.315 4.170 -0.000 0.000 0.291 605 I C 0.289 176.478 176.117 0.119 0.000 0.998 605 I CA -0.687 60.720 61.300 0.178 0.000 1.227 605 I CB 1.357 39.448 38.000 0.152 0.000 1.368 605 I HN 0.144 nan 8.210 nan 0.000 0.466 606 S N 2.357 118.129 115.700 0.119 0.000 2.693 606 S HA 0.225 4.695 4.470 -0.000 0.000 0.276 606 S C 1.314 175.963 174.600 0.082 0.000 1.192 606 S CA -0.057 58.194 58.200 0.083 0.000 0.994 606 S CB 1.455 64.698 63.200 0.071 0.000 1.012 606 S HN 0.773 nan 8.310 nan 0.000 0.550 607 T N -0.999 113.592 114.554 0.063 0.000 2.746 607 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 607 T C 1.271 176.011 174.700 0.066 0.000 1.039 607 T CA 1.536 63.671 62.100 0.059 0.000 1.142 607 T CB -1.106 67.790 68.868 0.046 0.000 0.866 607 T HN 0.818 nan 8.240 nan 0.000 0.444 608 D N 0.992 121.430 120.400 0.064 0.000 2.378 608 D HA -0.144 4.496 4.640 -0.000 0.000 0.222 608 D C 1.805 178.153 176.300 0.080 0.000 0.980 608 D CA 0.524 54.563 54.000 0.064 0.000 0.907 608 D CB -0.412 40.420 40.800 0.053 0.000 0.899 608 D HN 0.512 nan 8.370 nan 0.000 0.527 609 Q N 0.021 119.885 119.800 0.106 0.000 2.451 609 Q HA 0.122 4.462 4.340 -0.000 0.000 0.206 609 Q C -0.123 175.985 176.000 0.179 0.000 0.947 609 Q CA 0.251 56.149 55.803 0.157 0.000 0.937 609 Q CB 1.086 29.959 28.738 0.225 0.000 1.025 609 Q HN 0.149 nan 8.270 nan 0.000 0.511 610 V N 0.640 120.631 119.914 0.129 0.000 2.638 610 V HA 0.322 4.442 4.120 -0.000 0.000 0.306 610 V C -0.610 175.523 176.094 0.065 0.000 1.052 610 V CA -0.790 61.589 62.300 0.131 0.000 0.885 610 V CB 2.212 34.127 31.823 0.153 0.000 0.999 610 V HN -0.251 nan 8.190 nan 0.000 0.424 611 V N 6.086 126.012 119.914 0.021 0.000 2.409 611 V HA 0.507 4.627 4.120 -0.000 0.000 0.291 611 V C -0.430 175.667 176.094 0.005 0.000 1.020 611 V CA -0.417 61.814 62.300 -0.116 0.000 0.848 611 V CB 1.756 33.296 31.823 -0.473 0.000 0.990 611 V HN 0.672 nan 8.190 nan 0.000 0.430 612 L N 5.253 126.485 121.223 0.014 0.000 2.295 612 L HA 0.823 5.163 4.340 -0.000 0.000 0.281 612 L C 0.266 177.163 176.870 0.046 0.000 1.018 612 L CA 0.018 54.903 54.840 0.076 0.000 0.841 612 L CB 1.319 43.409 42.059 0.052 0.000 1.218 612 L HN 0.781 nan 8.230 nan 0.000 0.424 613 A N 0.000 122.855 122.820 0.058 0.000 2.254 613 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 613 A CA 0.000 52.077 52.037 0.066 0.000 0.836 613 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 613 A HN 0.000 nan 8.150 nan 0.000 0.486