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 1bt4_1_A DATA FIRST_RESID 2 DATA SEQUENCE SERAYNFNAG PAALPLEVLE RAQAEFVDYQ HTGMSIMEMS HRGAVYEAVH DATA SEQUENCE NEAQARLLAL LGNPTGYKVL FIQGGASTQF AMIPMNFLKE GQTANYVMTG DATA SEQUENCE SWASKALKEA KLIGDTHVAA SSEASNYMTL PKLQEIQLQD NAAYLHLTSN DATA SEQUENCE ETIEGAQFKA FPDTGSVPLI GDMSSDILSR PFDLNQFGLV YAGAQKNLGP DATA SEQUENCE SGVTVVIVRE DLVAESPKHL PTMLRYDTYV KNNSLYNTPP SFGIYMVNEV DATA SEQUENCE LKWIEERGGL EGVQQANRKK ASLIYDAIDQ SGGFYRGCVD VDSRSDMNIT DATA SEQUENCE FRLASEELEK EFVKASEQEG FVGLKGHRSV GGLRASIYNA VPYESCEALV DATA SEQUENCE QFMEHFKRSR G 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.519 174.600 -0.135 0.000 1.055 2 S CA 0.000 58.116 58.200 -0.140 0.000 1.107 2 S CB 0.000 63.139 63.200 -0.101 0.000 0.593 3 E N -0.401 119.716 120.200 -0.138 0.000 3.253 3 E HA -0.292 4.066 4.350 0.014 0.000 0.284 3 E C -0.204 176.317 176.600 -0.131 0.000 0.958 3 E CA 1.772 58.103 56.400 -0.115 0.000 0.917 3 E CB -1.088 28.565 29.700 -0.079 0.000 1.466 3 E HN 0.388 nan 8.360 nan 0.000 0.455 4 R N 0.601 120.991 120.500 -0.183 0.000 2.576 4 R HA 0.618 4.966 4.340 0.014 0.000 0.283 4 R C -0.365 175.740 176.300 -0.324 0.000 1.493 4 R CA 0.377 56.361 56.100 -0.193 0.000 1.170 4 R CB 1.040 31.251 30.300 -0.148 0.000 1.189 4 R HN 0.385 nan 8.270 nan 0.000 0.542 5 A N 2.625 125.266 122.820 -0.298 0.000 2.448 5 A HA 0.168 4.496 4.320 0.014 0.000 0.239 5 A C -0.708 176.645 177.584 -0.386 0.000 1.080 5 A CA 0.133 51.938 52.037 -0.386 0.000 0.779 5 A CB 0.015 18.888 19.000 -0.211 0.000 1.026 5 A HN 0.627 nan 8.150 nan 0.000 0.499 6 Y N 1.432 121.604 120.300 -0.213 0.000 2.616 6 Y HA 0.165 4.723 4.550 0.014 0.000 0.350 6 Y C 0.716 176.553 175.900 -0.104 0.000 1.119 6 Y CA -0.645 57.338 58.100 -0.194 0.000 1.467 6 Y CB -0.299 37.993 38.460 -0.281 0.000 1.287 6 Y HN 0.623 nan 8.280 nan 0.000 0.504 7 N N 2.822 121.447 118.700 -0.125 0.000 2.415 7 N HA 0.114 4.863 4.740 0.014 0.000 0.246 7 N C -0.803 174.532 175.510 -0.292 0.000 1.078 7 N CA -0.051 52.932 53.050 -0.112 0.000 0.942 7 N CB 0.012 38.441 38.487 -0.096 0.000 1.140 7 N HN 0.339 nan 8.380 nan 0.000 0.501 8 F N 1.104 121.120 119.950 0.110 0.000 2.708 8 F HA 0.324 4.859 4.527 0.014 0.000 0.300 8 F C 0.654 176.492 175.800 0.064 0.000 1.118 8 F CA -0.763 57.282 58.000 0.075 0.000 1.307 8 F CB -0.126 38.925 39.000 0.085 0.000 0.986 8 F HN 0.277 nan 8.300 nan 0.000 0.522 9 N N 0.899 119.705 118.700 0.177 0.000 2.407 9 N HA 0.036 4.784 4.740 0.014 0.000 0.250 9 N C 1.150 176.794 175.510 0.222 0.000 1.236 9 N CA 0.542 53.695 53.050 0.171 0.000 0.879 9 N CB 1.167 39.730 38.487 0.127 0.000 1.088 9 N HN 0.277 nan 8.380 nan 0.000 0.450 10 A N 0.997 123.956 122.820 0.231 0.000 2.218 10 A HA 0.372 4.700 4.320 0.014 0.000 0.209 10 A C 0.787 178.594 177.584 0.371 0.000 1.168 10 A CA 0.851 53.079 52.037 0.319 0.000 0.804 10 A CB -0.229 18.922 19.000 0.252 0.000 0.834 10 A HN 0.786 nan 8.150 nan 0.000 0.482 11 G N 0.021 108.961 108.800 0.233 0.000 2.404 11 G HA2 0.337 4.306 3.960 0.014 0.000 0.230 11 G HA3 0.337 4.306 3.960 0.014 0.000 0.230 11 G C -2.999 171.954 174.900 0.088 0.000 1.516 11 G CA -0.823 44.347 45.100 0.116 0.000 1.026 11 G HN 0.109 nan 8.290 nan 0.000 0.660 12 P HA 0.530 nan 4.420 nan 0.000 0.269 12 P C 0.494 177.827 177.300 0.055 0.000 1.211 12 P CA 0.674 63.789 63.100 0.024 0.000 0.781 12 P CB 1.003 32.713 31.700 0.018 0.000 0.877 13 A N 0.809 123.646 122.820 0.029 0.000 2.548 13 A HA 0.783 5.112 4.320 0.014 0.000 0.282 13 A C -0.881 176.713 177.584 0.018 0.000 1.288 13 A CA -0.346 51.739 52.037 0.081 0.000 0.748 13 A CB 0.488 19.622 19.000 0.222 0.000 1.339 13 A HN 0.559 nan 8.150 nan 0.000 0.475 14 A N -0.472 122.365 122.820 0.028 0.000 2.511 14 A HA 0.531 4.859 4.320 0.014 0.000 0.242 14 A C -0.440 177.082 177.584 -0.104 0.000 1.069 14 A CA 0.443 52.452 52.037 -0.046 0.000 0.763 14 A CB -0.554 18.409 19.000 -0.062 0.000 1.001 14 A HN 0.755 nan 8.150 nan 0.000 0.498 15 L N 3.178 124.309 121.223 -0.153 0.000 2.333 15 L HA 0.485 4.833 4.340 0.014 0.000 0.269 15 L C -2.195 174.485 176.870 -0.318 0.000 1.010 15 L CA -1.882 52.814 54.840 -0.241 0.000 0.818 15 L CB 2.200 44.147 42.059 -0.186 0.000 1.306 15 L HN 0.430 nan 8.230 nan 0.000 0.430 16 P HA 0.005 nan 4.420 nan 0.000 0.268 16 P C 0.354 177.474 177.300 -0.301 0.000 1.204 16 P CA -0.300 62.437 63.100 -0.605 0.000 0.768 16 P CB 0.639 31.533 31.700 -1.344 0.000 0.842 17 L N 4.846 125.971 121.223 -0.163 0.000 2.042 17 L HA -0.209 4.139 4.340 0.014 0.000 0.210 17 L C 1.961 178.800 176.870 -0.052 0.000 1.076 17 L CA 1.919 56.710 54.840 -0.082 0.000 0.749 17 L CB -1.124 40.913 42.059 -0.037 0.000 0.893 17 L HN 0.491 nan 8.230 nan 0.000 0.432 18 E N -0.835 119.352 120.200 -0.021 0.000 2.150 18 E HA -0.178 4.180 4.350 0.014 0.000 0.193 18 E C 2.003 178.606 176.600 0.006 0.000 0.985 18 E CA 1.577 57.995 56.400 0.030 0.000 0.814 18 E CB -0.834 28.936 29.700 0.117 0.000 0.752 18 E HN 0.483 nan 8.360 nan 0.000 0.466 19 V N -0.443 119.426 119.914 -0.075 0.000 2.548 19 V HA -0.096 4.032 4.120 0.014 0.000 0.249 19 V C 2.174 178.236 176.094 -0.054 0.000 1.055 19 V CA 0.938 63.189 62.300 -0.082 0.000 1.065 19 V CB -0.520 31.193 31.823 -0.184 0.000 0.681 19 V HN 0.218 nan 8.190 nan 0.000 0.462 20 L N 0.110 121.297 121.223 -0.061 0.000 2.109 20 L HA -0.065 4.283 4.340 0.014 0.000 0.207 20 L C 2.930 179.816 176.870 0.026 0.000 1.086 20 L CA 2.030 56.859 54.840 -0.017 0.000 0.760 20 L CB -0.516 41.517 42.059 -0.043 0.000 0.910 20 L HN 0.378 nan 8.230 nan 0.000 0.437 21 E N -0.129 120.081 120.200 0.017 0.000 2.072 21 E HA -0.188 4.171 4.350 0.014 0.000 0.191 21 E C 2.313 178.955 176.600 0.069 0.000 0.985 21 E CA 0.846 57.268 56.400 0.036 0.000 0.801 21 E CB -0.025 29.690 29.700 0.025 0.000 0.750 21 E HN 0.424 nan 8.360 nan 0.000 0.452 22 R N 0.660 121.204 120.500 0.074 0.000 2.081 22 R HA -0.091 4.257 4.340 0.014 0.000 0.235 22 R C 2.372 178.778 176.300 0.178 0.000 1.131 22 R CA 1.179 57.342 56.100 0.104 0.000 0.960 22 R CB -0.311 30.042 30.300 0.087 0.000 0.856 22 R HN 0.099 nan 8.270 nan 0.000 0.436 23 A N 0.825 123.764 122.820 0.199 0.000 1.969 23 A HA -0.202 4.127 4.320 0.014 0.000 0.218 23 A C 2.082 179.898 177.584 0.386 0.000 1.169 23 A CA 1.121 53.377 52.037 0.364 0.000 0.635 23 A CB -0.376 18.817 19.000 0.323 0.000 0.810 23 A HN 0.350 nan 8.150 nan 0.000 0.445 24 Q N -0.599 119.338 119.800 0.228 0.000 2.123 24 Q HA -0.068 4.281 4.340 0.014 0.000 0.199 24 Q C 2.188 178.293 176.000 0.175 0.000 0.966 24 Q CA 1.205 57.104 55.803 0.160 0.000 0.845 24 Q CB -0.291 28.474 28.738 0.045 0.000 0.907 24 Q HN 0.603 nan 8.270 nan 0.000 0.439 25 A N 1.639 124.546 122.820 0.145 0.000 1.940 25 A HA -0.201 4.128 4.320 0.014 0.000 0.219 25 A C 1.485 179.140 177.584 0.118 0.000 1.176 25 A CA 1.740 53.842 52.037 0.108 0.000 0.631 25 A CB -0.392 18.656 19.000 0.080 0.000 0.814 25 A HN 0.671 nan 8.150 nan 0.000 0.446 26 E N -1.968 118.339 120.200 0.177 0.000 2.569 26 E HA 0.202 4.561 4.350 0.014 0.000 0.205 26 E C 0.971 177.697 176.600 0.210 0.000 1.006 26 E CA -0.517 55.975 56.400 0.154 0.000 0.985 26 E CB -0.322 29.464 29.700 0.142 0.000 1.060 26 E HN 0.457 nan 8.360 nan 0.000 0.460 27 F N 1.197 121.208 119.950 0.102 0.000 2.134 27 F HA -0.151 4.383 4.527 0.012 0.000 0.299 27 F C 1.695 177.502 175.800 0.012 0.000 1.097 27 F CA 1.381 59.427 58.000 0.077 0.000 1.264 27 F CB 0.309 39.347 39.000 0.064 0.000 1.001 27 F HN -0.052 nan 8.300 nan 0.000 0.479 28 V N -1.412 118.596 119.914 0.157 0.000 2.599 28 V HA -0.039 4.089 4.120 0.014 0.000 0.245 28 V C -0.074 176.013 176.094 -0.012 0.000 1.046 28 V CA 1.206 63.536 62.300 0.049 0.000 1.065 28 V CB -0.248 31.637 31.823 0.104 0.000 0.703 28 V HN 0.150 nan 8.190 nan 0.000 0.464 29 D N -0.618 119.785 120.400 0.004 0.000 2.421 29 D HA 0.168 4.816 4.640 0.014 0.000 0.254 29 D C -1.479 174.811 176.300 -0.016 0.000 1.238 29 D CA -0.535 53.453 54.000 -0.020 0.000 0.919 29 D CB 1.176 41.942 40.800 -0.056 0.000 1.152 29 D HN 0.283 nan 8.370 nan 0.000 0.552 30 Y N 3.725 123.958 120.300 -0.111 0.000 2.404 30 Y HA 0.164 4.724 4.550 0.017 0.000 0.344 30 Y C 0.768 176.627 175.900 -0.068 0.000 0.995 30 Y CA 0.031 58.072 58.100 -0.097 0.000 1.201 30 Y CB 0.438 38.823 38.460 -0.125 0.000 1.151 30 Y HN 0.422 nan 8.280 nan 0.000 0.517 31 Q N 6.700 126.210 119.800 -0.483 0.000 2.453 31 Q HA -0.331 4.017 4.340 0.014 0.000 0.294 31 Q C -0.271 175.701 176.000 -0.047 0.000 1.295 31 Q CA 1.093 56.693 55.803 -0.339 0.000 0.853 31 Q CB -1.649 26.802 28.738 -0.478 0.000 1.193 31 Q HN 1.042 nan 8.270 nan 0.000 0.461 32 H N -2.717 116.320 119.070 -0.055 0.000 2.731 32 H HA -0.202 4.363 4.556 0.015 0.000 0.305 32 H C 1.340 176.671 175.328 0.005 0.000 1.132 32 H CA 1.516 57.554 56.048 -0.016 0.000 1.148 32 H CB -1.884 27.866 29.762 -0.020 0.000 1.379 32 H HN 0.772 nan 8.280 nan 0.000 0.398 33 T N -4.025 110.584 114.554 0.093 0.000 3.067 33 T HA 0.283 4.642 4.350 0.014 0.000 0.261 33 T C 1.874 176.613 174.700 0.065 0.000 1.110 33 T CA 1.086 63.240 62.100 0.090 0.000 1.113 33 T CB 0.489 69.428 68.868 0.118 0.000 0.917 33 T HN 0.833 nan 8.240 nan 0.000 0.499 34 G N 1.851 110.683 108.800 0.054 0.000 2.141 34 G HA2 -0.152 3.816 3.960 0.014 0.000 0.231 34 G HA3 -0.152 3.816 3.960 0.014 0.000 0.231 34 G C -0.063 174.845 174.900 0.013 0.000 0.984 34 G CA 0.139 45.259 45.100 0.034 0.000 0.660 34 G HN 0.952 nan 8.290 nan 0.000 0.525 35 M N -1.711 117.896 119.600 0.012 0.000 2.732 35 M HA 0.724 5.213 4.480 0.014 0.000 0.272 35 M C -0.287 175.990 176.300 -0.038 0.000 1.203 35 M CA -0.674 54.613 55.300 -0.022 0.000 0.841 35 M CB 1.224 33.807 32.600 -0.028 0.000 1.685 35 M HN 0.442 nan 8.290 nan 0.000 0.492 36 S N 0.123 115.752 115.700 -0.119 0.000 2.603 36 S HA 0.348 4.826 4.470 0.014 0.000 0.268 36 S C 0.699 175.146 174.600 -0.255 0.000 1.317 36 S CA -0.525 57.541 58.200 -0.223 0.000 1.012 36 S CB 0.784 63.753 63.200 -0.385 0.000 0.926 36 S HN 0.704 nan 8.310 nan 0.000 0.539 37 I N 3.773 124.110 120.570 -0.389 0.000 2.567 37 I HA -0.144 4.034 4.170 0.014 0.000 0.257 37 I C 1.860 177.812 176.117 -0.274 0.000 1.184 37 I CA 1.598 62.612 61.300 -0.475 0.000 1.451 37 I CB -0.161 37.331 38.000 -0.845 0.000 1.089 37 I HN 0.830 nan 8.210 nan 0.000 0.441 38 M N -2.268 117.169 119.600 -0.273 0.000 2.563 38 M HA 0.207 4.696 4.480 0.014 0.000 0.231 38 M C 0.820 177.003 176.300 -0.194 0.000 1.136 38 M CA 0.845 56.014 55.300 -0.219 0.000 1.026 38 M CB -0.228 32.210 32.600 -0.271 0.000 1.597 38 M HN 0.114 nan 8.290 nan 0.000 0.495 39 E N 1.010 121.104 120.200 -0.178 0.000 2.526 39 E HA 0.321 4.679 4.350 0.014 0.000 0.208 39 E C -0.109 176.433 176.600 -0.097 0.000 0.997 39 E CA -0.122 56.201 56.400 -0.128 0.000 0.961 39 E CB 0.572 30.202 29.700 -0.115 0.000 1.030 39 E HN 0.563 nan 8.360 nan 0.000 0.483 40 M N 0.748 120.285 119.600 -0.105 0.000 2.409 40 M HA 0.225 4.713 4.480 0.014 0.000 0.329 40 M C 0.362 176.624 176.300 -0.064 0.000 1.180 40 M CA -0.600 54.660 55.300 -0.066 0.000 1.053 40 M CB 1.688 34.261 32.600 -0.045 0.000 1.586 40 M HN -0.183 nan 8.290 nan 0.000 0.461 41 S N 0.253 115.935 115.700 -0.030 0.000 2.549 41 S HA 0.004 4.483 4.470 0.014 0.000 0.286 41 S C 0.961 175.550 174.600 -0.019 0.000 1.314 41 S CA -0.236 57.953 58.200 -0.019 0.000 1.062 41 S CB 0.171 63.343 63.200 -0.047 0.000 0.865 41 S HN 0.830 nan 8.310 nan 0.000 0.498 42 H N 3.521 122.493 119.070 -0.165 0.000 2.546 42 H HA 0.254 4.823 4.556 0.022 0.000 0.277 42 H C 1.410 176.754 175.328 0.027 0.000 1.004 42 H CA 0.361 56.296 56.048 -0.188 0.000 1.231 42 H CB 0.124 29.709 29.762 -0.295 0.000 1.382 42 H HN 0.360 nan 8.280 nan 0.000 0.580 43 R N 1.234 121.523 120.500 -0.352 0.000 2.362 43 R HA 0.258 4.606 4.340 0.014 0.000 0.227 43 R C 0.711 176.962 176.300 -0.081 0.000 0.905 43 R CA 0.390 56.343 56.100 -0.245 0.000 1.067 43 R CB 0.248 30.348 30.300 -0.333 0.000 1.078 43 R HN 0.394 nan 8.270 nan 0.000 0.516 44 G N -0.307 108.479 108.800 -0.023 0.000 2.476 44 G HA2 0.361 4.329 3.960 0.014 0.000 0.269 44 G HA3 0.361 4.329 3.960 0.014 0.000 0.269 44 G C 1.006 175.937 174.900 0.052 0.000 1.195 44 G CA 0.093 45.202 45.100 0.015 0.000 0.843 44 G HN 0.122 nan 8.290 nan 0.000 0.545 45 A N 0.974 123.819 122.820 0.041 0.000 1.948 45 A HA -0.079 4.250 4.320 0.014 0.000 0.220 45 A C 2.493 180.117 177.584 0.068 0.000 1.177 45 A CA 2.109 54.175 52.037 0.048 0.000 0.636 45 A CB -0.515 18.509 19.000 0.040 0.000 0.815 45 A HN 0.594 nan 8.150 nan 0.000 0.449 46 V N -1.803 118.164 119.914 0.088 0.000 2.307 46 V HA -0.247 3.881 4.120 0.014 0.000 0.245 46 V C 2.352 178.509 176.094 0.104 0.000 1.045 46 V CA 2.041 64.412 62.300 0.119 0.000 1.024 46 V CB -1.030 30.880 31.823 0.145 0.000 0.651 46 V HN 0.721 nan 8.190 nan 0.000 0.449 47 Y N 1.030 121.336 120.300 0.010 0.000 2.220 47 Y HA -0.102 4.455 4.550 0.013 0.000 0.291 47 Y C 2.568 178.511 175.900 0.072 0.000 1.129 47 Y CA 1.599 59.703 58.100 0.007 0.000 1.161 47 Y CB -0.119 38.331 38.460 -0.016 0.000 0.997 47 Y HN 0.275 nan 8.280 nan 0.000 0.522 48 E N 0.202 120.400 120.200 -0.002 0.000 2.160 48 E HA -0.240 4.118 4.350 0.014 0.000 0.195 48 E C 2.274 178.854 176.600 -0.034 0.000 0.991 48 E CA 0.939 57.323 56.400 -0.026 0.000 0.810 48 E CB -0.248 29.481 29.700 0.048 0.000 0.742 48 E HN 0.614 nan 8.360 nan 0.000 0.466 49 A N 1.348 124.152 122.820 -0.026 0.000 1.873 49 A HA -0.146 4.183 4.320 0.014 0.000 0.215 49 A C 2.548 180.117 177.584 -0.025 0.000 1.186 49 A CA 1.670 53.709 52.037 0.004 0.000 0.616 49 A CB -0.861 18.164 19.000 0.042 0.000 0.823 49 A HN 0.240 nan 8.150 nan 0.000 0.442 50 V N -1.637 118.224 119.914 -0.088 0.000 2.427 50 V HA -0.240 3.889 4.120 0.014 0.000 0.248 50 V C 2.270 178.268 176.094 -0.160 0.000 1.051 50 V CA 2.825 65.071 62.300 -0.091 0.000 1.048 50 V CB -1.273 30.523 31.823 -0.046 0.000 0.666 50 V HN 0.701 nan 8.190 nan 0.000 0.456 51 H N 1.636 120.432 119.070 -0.456 0.000 2.290 51 H HA -0.113 4.448 4.556 0.009 0.000 0.298 51 H C 2.226 177.569 175.328 0.025 0.000 1.087 51 H CA 2.606 58.474 56.048 -0.301 0.000 1.291 51 H CB -0.146 29.379 29.762 -0.394 0.000 1.369 51 H HN 0.454 nan 8.280 nan 0.000 0.492 52 N N 0.158 118.901 118.700 0.072 0.000 2.354 52 N HA -0.125 4.623 4.740 0.014 0.000 0.179 52 N C 1.823 177.348 175.510 0.025 0.000 1.021 52 N CA 0.973 54.056 53.050 0.056 0.000 0.887 52 N CB -0.113 38.425 38.487 0.084 0.000 0.974 52 N HN 0.622 nan 8.380 nan 0.000 0.437 53 E N 1.071 121.279 120.200 0.014 0.000 2.150 53 E HA -0.048 4.310 4.350 0.014 0.000 0.193 53 E C 1.785 178.394 176.600 0.015 0.000 0.985 53 E CA 0.678 57.086 56.400 0.013 0.000 0.814 53 E CB 0.093 29.801 29.700 0.014 0.000 0.752 53 E HN 0.262 nan 8.360 nan 0.000 0.466 54 A N 0.877 123.708 122.820 0.018 0.000 1.902 54 A HA -0.234 4.094 4.320 0.014 0.000 0.217 54 A C 2.061 179.711 177.584 0.111 0.000 1.181 54 A CA 1.574 53.642 52.037 0.052 0.000 0.623 54 A CB -0.470 18.547 19.000 0.028 0.000 0.818 54 A HN 0.322 nan 8.150 nan 0.000 0.443 55 Q N -0.714 119.146 119.800 0.100 0.000 2.119 55 Q HA -0.032 4.317 4.340 0.014 0.000 0.201 55 Q C 2.381 178.376 176.000 -0.008 0.000 0.972 55 Q CA 1.278 57.085 55.803 0.007 0.000 0.847 55 Q CB -0.344 28.348 28.738 -0.078 0.000 0.903 55 Q HN 0.684 nan 8.270 nan 0.000 0.433 56 A N 1.182 124.004 122.820 0.002 0.000 1.897 56 A HA -0.143 4.185 4.320 0.014 0.000 0.215 56 A C 1.974 179.554 177.584 -0.007 0.000 1.181 56 A CA 1.023 53.057 52.037 -0.004 0.000 0.620 56 A CB -0.271 18.731 19.000 0.003 0.000 0.821 56 A HN 0.175 nan 8.150 nan 0.000 0.443 57 R N -1.129 119.372 120.500 0.001 0.000 2.115 57 R HA -0.072 4.277 4.340 0.014 0.000 0.230 57 R C 2.040 178.334 176.300 -0.010 0.000 1.111 57 R CA 1.233 57.331 56.100 -0.004 0.000 0.976 57 R CB -0.485 29.817 30.300 0.003 0.000 0.870 57 R HN 0.472 nan 8.270 nan 0.000 0.445 58 L N 1.104 122.325 121.223 -0.003 0.000 2.005 58 L HA -0.127 4.221 4.340 0.014 0.000 0.207 58 L C 1.965 178.803 176.870 -0.053 0.000 1.072 58 L CA 1.673 56.505 54.840 -0.015 0.000 0.744 58 L CB -0.455 41.607 42.059 0.004 0.000 0.895 58 L HN 0.114 nan 8.230 nan 0.000 0.433 59 L N -0.728 120.461 121.223 -0.057 0.000 2.083 59 L HA -0.179 4.169 4.340 0.014 0.000 0.209 59 L C 2.647 179.468 176.870 -0.081 0.000 1.083 59 L CA 1.128 55.919 54.840 -0.081 0.000 0.752 59 L CB -0.936 41.089 42.059 -0.056 0.000 0.899 59 L HN 0.386 nan 8.230 nan 0.000 0.433 60 A N 0.117 122.904 122.820 -0.055 0.000 1.902 60 A HA -0.177 4.152 4.320 0.014 0.000 0.217 60 A C 2.244 179.790 177.584 -0.064 0.000 1.181 60 A CA 1.397 53.403 52.037 -0.051 0.000 0.623 60 A CB -0.690 18.290 19.000 -0.034 0.000 0.818 60 A HN 0.368 nan 8.150 nan 0.000 0.443 61 L N -0.778 120.407 121.223 -0.063 0.000 2.191 61 L HA -0.090 4.258 4.340 0.014 0.000 0.212 61 L C 1.874 178.680 176.870 -0.107 0.000 1.103 61 L CA 0.705 55.504 54.840 -0.068 0.000 0.769 61 L CB -0.265 41.766 42.059 -0.047 0.000 0.908 61 L HN 0.369 nan 8.230 nan 0.000 0.438 62 L N -0.707 120.427 121.223 -0.148 0.000 2.591 62 L HA 0.156 4.504 4.340 0.014 0.000 0.228 62 L C 1.267 178.011 176.870 -0.209 0.000 1.133 62 L CA 0.484 55.178 54.840 -0.243 0.000 0.880 62 L CB -0.234 41.628 42.059 -0.330 0.000 1.033 62 L HN 0.435 nan 8.230 nan 0.000 0.450 63 G N 0.034 108.753 108.800 -0.136 0.000 2.130 63 G HA2 -0.273 3.695 3.960 0.014 0.000 0.216 63 G HA3 -0.273 3.695 3.960 0.014 0.000 0.216 63 G C 0.222 175.069 174.900 -0.088 0.000 0.999 63 G CA -0.118 44.920 45.100 -0.104 0.000 0.686 63 G HN 0.386 nan 8.290 nan 0.000 0.515 64 N N -0.735 117.913 118.700 -0.087 0.000 2.708 64 N HA -0.112 4.637 4.740 0.014 0.000 0.255 64 N C -1.601 173.878 175.510 -0.052 0.000 1.046 64 N CA 1.419 54.432 53.050 -0.061 0.000 0.715 64 N CB -0.697 37.766 38.487 -0.039 0.000 0.895 64 N HN 0.691 nan 8.380 nan 0.000 0.545 65 P HA 0.147 nan 4.420 nan 0.000 0.274 65 P C 0.166 177.496 177.300 0.051 0.000 1.231 65 P CA 0.057 63.132 63.100 -0.042 0.000 0.790 65 P CB 0.793 32.390 31.700 -0.172 0.000 0.951 66 T N -3.904 110.718 114.554 0.112 0.000 2.940 66 T HA 0.575 4.934 4.350 0.014 0.000 0.288 66 T C 0.848 175.647 174.700 0.166 0.000 1.033 66 T CA -0.049 62.117 62.100 0.110 0.000 1.033 66 T CB 1.130 70.029 68.868 0.052 0.000 1.079 66 T HN 0.755 nan 8.240 nan 0.000 0.496 67 G N 0.144 108.985 108.800 0.067 0.000 2.136 67 G HA2 -0.190 3.778 3.960 0.014 0.000 0.242 67 G HA3 -0.190 3.778 3.960 0.014 0.000 0.242 67 G C -0.389 174.387 174.900 -0.206 0.000 0.989 67 G CA 0.136 45.197 45.100 -0.065 0.000 0.682 67 G HN 0.845 nan 8.290 nan 0.000 0.522 68 Y N -0.273 120.007 120.300 -0.034 0.000 2.462 68 Y HA 0.661 5.217 4.550 0.011 0.000 0.346 68 Y C 0.458 176.326 175.900 -0.053 0.000 0.976 68 Y CA -0.923 57.151 58.100 -0.043 0.000 1.044 68 Y CB 1.838 40.270 38.460 -0.047 0.000 1.230 68 Y HN 0.023 nan 8.280 nan 0.000 0.455 69 K N 1.902 122.347 120.400 0.076 0.000 2.270 69 K HA 0.647 4.975 4.320 0.014 0.000 0.255 69 K C -1.410 175.165 176.600 -0.042 0.000 0.936 69 K CA -0.917 55.373 56.287 0.004 0.000 0.809 69 K CB 2.207 34.700 32.500 -0.012 0.000 1.131 69 K HN 0.323 nan 8.250 nan 0.000 0.427 70 V N 5.232 125.071 119.914 -0.126 0.000 2.364 70 V HA 0.309 4.438 4.120 0.014 0.000 0.272 70 V C -0.226 175.606 176.094 -0.437 0.000 1.036 70 V CA -0.660 61.480 62.300 -0.266 0.000 0.880 70 V CB 0.441 32.072 31.823 -0.319 0.000 0.991 70 V HN 0.554 nan 8.190 nan 0.000 0.460 71 L N 4.859 125.852 121.223 -0.383 0.000 2.334 71 L HA 0.658 5.006 4.340 0.014 0.000 0.273 71 L C -1.050 175.576 176.870 -0.407 0.000 1.013 71 L CA -0.515 54.127 54.840 -0.329 0.000 0.816 71 L CB 1.779 43.785 42.059 -0.089 0.000 1.278 71 L HN 0.389 nan 8.230 nan 0.000 0.431 72 F N 2.933 122.919 119.950 0.059 0.000 2.403 72 F HA 0.589 5.117 4.527 0.001 0.000 0.355 72 F C 0.033 175.846 175.800 0.022 0.000 1.119 72 F CA -0.692 57.337 58.000 0.048 0.000 1.007 72 F CB 1.042 40.108 39.000 0.110 0.000 1.194 72 F HN 0.132 nan 8.300 nan 0.000 0.443 73 I N 2.389 123.008 120.570 0.081 0.000 2.689 73 I HA 0.400 4.578 4.170 0.014 0.000 0.299 73 I C -0.299 175.820 176.117 0.004 0.000 1.059 73 I CA -1.031 60.212 61.300 -0.095 0.000 1.055 73 I CB 2.201 39.946 38.000 -0.425 0.000 1.243 73 I HN 0.447 nan 8.210 nan 0.000 0.425 74 Q N 1.751 121.568 119.800 0.028 0.000 2.237 74 Q HA 0.501 4.849 4.340 0.014 0.000 0.219 74 Q C 0.838 176.833 176.000 -0.009 0.000 0.999 74 Q CA 0.188 56.008 55.803 0.027 0.000 0.959 74 Q CB 1.190 29.959 28.738 0.052 0.000 1.173 74 Q HN 1.016 nan 8.270 nan 0.000 0.527 75 G N -0.688 108.105 108.800 -0.013 0.000 2.195 75 G HA2 -0.102 3.866 3.960 0.014 0.000 0.224 75 G HA3 -0.102 3.866 3.960 0.014 0.000 0.224 75 G C 0.444 175.308 174.900 -0.060 0.000 0.990 75 G CA -0.112 44.969 45.100 -0.032 0.000 0.639 75 G HN 1.289 nan 8.290 nan 0.000 0.514 76 G N -0.832 107.931 108.800 -0.062 0.000 2.828 76 G HA2 0.309 4.277 3.960 0.014 0.000 0.463 76 G HA3 0.309 4.277 3.960 0.014 0.000 0.463 76 G C 1.115 175.931 174.900 -0.140 0.000 1.394 76 G CA 1.032 46.073 45.100 -0.098 0.000 0.862 76 G HN 1.885 nan 8.290 nan 0.000 0.540 77 A N -0.403 122.301 122.820 -0.193 0.000 2.070 77 A HA 0.202 4.530 4.320 0.014 0.000 0.220 77 A C 2.727 179.958 177.584 -0.590 0.000 1.159 77 A CA 2.693 54.612 52.037 -0.196 0.000 0.656 77 A CB -0.536 18.323 19.000 -0.235 0.000 0.800 77 A HN 1.504 nan 8.150 nan 0.000 0.453 78 S N -0.449 114.874 115.700 -0.630 0.000 2.368 78 S HA -0.126 4.352 4.470 0.014 0.000 0.225 78 S C 2.007 176.397 174.600 -0.349 0.000 1.030 78 S CA 1.823 59.593 58.200 -0.716 0.000 0.999 78 S CB -0.470 62.581 63.200 -0.249 0.000 0.844 78 S HN 0.686 nan 8.310 nan 0.000 0.459 79 T N 2.113 116.549 114.554 -0.196 0.000 2.881 79 T HA -0.057 4.301 4.350 0.014 0.000 0.270 79 T C 1.798 176.440 174.700 -0.096 0.000 1.068 79 T CA 0.873 62.914 62.100 -0.098 0.000 1.131 79 T CB -0.197 68.622 68.868 -0.082 0.000 0.871 79 T HN 0.265 nan 8.240 nan 0.000 0.479 80 Q N 0.049 119.756 119.800 -0.155 0.000 2.291 80 Q HA 0.042 4.390 4.340 0.014 0.000 0.205 80 Q C 1.875 177.882 176.000 0.012 0.000 0.970 80 Q CA 0.748 56.441 55.803 -0.183 0.000 0.876 80 Q CB -0.382 28.083 28.738 -0.456 0.000 0.935 80 Q HN 0.497 nan 8.270 nan 0.000 0.455 81 F N 0.414 120.353 119.950 -0.019 0.000 2.216 81 F HA -0.115 4.432 4.527 0.034 0.000 0.300 81 F C 2.231 178.046 175.800 0.025 0.000 1.085 81 F CA 0.865 58.893 58.000 0.047 0.000 1.326 81 F CB -0.949 38.116 39.000 0.108 0.000 1.027 81 F HN 0.060 nan 8.300 nan 0.000 0.497 82 A N -1.012 121.921 122.820 0.188 0.000 1.956 82 A HA -0.009 4.319 4.320 0.014 0.000 0.212 82 A C 2.213 179.811 177.584 0.023 0.000 1.188 82 A CA 0.587 52.682 52.037 0.098 0.000 0.675 82 A CB -0.584 18.456 19.000 0.066 0.000 0.845 82 A HN 0.274 nan 8.150 nan 0.000 0.455 83 M N -0.218 119.353 119.600 -0.048 0.000 2.213 83 M HA -0.086 4.402 4.480 0.014 0.000 0.263 83 M C 1.735 177.945 176.300 -0.151 0.000 1.062 83 M CA 1.574 56.765 55.300 -0.181 0.000 1.105 83 M CB -0.330 32.086 32.600 -0.306 0.000 1.385 83 M HN 0.445 nan 8.290 nan 0.000 0.417 84 I N 0.696 121.261 120.570 -0.008 0.000 2.113 84 I HA -0.206 3.972 4.170 0.014 0.000 0.238 84 I C -0.671 175.516 176.117 0.116 0.000 1.070 84 I CA 1.369 62.712 61.300 0.072 0.000 1.332 84 I CB -1.770 36.251 38.000 0.034 0.000 1.044 84 I HN 0.244 nan 8.210 nan 0.000 0.402 85 P HA -0.148 nan 4.420 nan 0.000 0.221 85 P C 1.803 179.204 177.300 0.169 0.000 1.150 85 P CA 1.642 64.935 63.100 0.322 0.000 0.800 85 P CB -0.092 31.799 31.700 0.319 0.000 0.787 86 M N -0.857 118.775 119.600 0.054 0.000 2.279 86 M HA -0.104 4.385 4.480 0.014 0.000 0.264 86 M C 1.798 178.047 176.300 -0.086 0.000 1.062 86 M CA 1.459 56.756 55.300 -0.006 0.000 1.099 86 M CB -0.517 32.043 32.600 -0.067 0.000 1.394 86 M HN 0.005 nan 8.290 nan 0.000 0.426 87 N N -1.035 117.537 118.700 -0.214 0.000 2.415 87 N HA 0.053 4.802 4.740 0.014 0.000 0.174 87 N C 0.812 176.093 175.510 -0.381 0.000 1.048 87 N CA 0.918 53.725 53.050 -0.406 0.000 0.895 87 N CB 0.490 38.574 38.487 -0.671 0.000 1.036 87 N HN 0.254 nan 8.380 nan 0.000 0.449 88 F N 0.300 120.361 119.950 0.186 0.000 2.746 88 F HA 0.305 4.845 4.527 0.021 0.000 0.313 88 F C 0.356 176.315 175.800 0.264 0.000 1.095 88 F CA -0.494 57.639 58.000 0.221 0.000 1.224 88 F CB 0.035 39.170 39.000 0.225 0.000 1.060 88 F HN -0.139 nan 8.300 nan 0.000 0.584 89 L N 2.712 124.170 121.223 0.393 0.000 2.268 89 L HA 0.334 4.683 4.340 0.014 0.000 0.289 89 L C -0.042 176.937 176.870 0.182 0.000 1.064 89 L CA -0.158 54.846 54.840 0.273 0.000 0.824 89 L CB -0.327 41.882 42.059 0.250 0.000 1.202 89 L HN -0.055 nan 8.230 nan 0.000 0.433 90 K N 3.203 123.694 120.400 0.151 0.000 2.168 90 K HA 0.343 4.671 4.320 0.014 0.000 0.239 90 K C -0.501 176.143 176.600 0.073 0.000 0.999 90 K CA -0.913 55.441 56.287 0.111 0.000 0.900 90 K CB 1.474 34.039 32.500 0.108 0.000 1.111 90 K HN 0.495 nan 8.250 nan 0.000 0.452 91 E N -0.164 120.067 120.200 0.051 0.000 2.360 91 E HA 0.085 4.444 4.350 0.014 0.000 0.269 91 E C 0.470 177.086 176.600 0.027 0.000 1.022 91 E CA 0.816 57.235 56.400 0.031 0.000 0.887 91 E CB 0.354 30.064 29.700 0.017 0.000 0.990 91 E HN 0.761 nan 8.360 nan 0.000 0.426 92 G N 3.295 112.106 108.800 0.018 0.000 2.254 92 G HA2 -0.260 3.709 3.960 0.014 0.000 0.225 92 G HA3 -0.260 3.709 3.960 0.014 0.000 0.225 92 G C 0.194 175.098 174.900 0.008 0.000 1.003 92 G CA 0.195 45.302 45.100 0.011 0.000 0.622 92 G HN 0.553 nan 8.290 nan 0.000 0.507 93 Q N -0.201 119.608 119.800 0.016 0.000 2.252 93 Q HA 0.696 5.044 4.340 0.014 0.000 0.256 93 Q C -0.546 175.451 176.000 -0.004 0.000 1.020 93 Q CA -0.130 55.676 55.803 0.005 0.000 0.913 93 Q CB 1.982 30.732 28.738 0.020 0.000 1.286 93 Q HN 0.165 nan 8.270 nan 0.000 0.480 94 T N -0.638 113.896 114.554 -0.033 0.000 2.886 94 T HA 0.610 4.969 4.350 0.014 0.000 0.292 94 T C -1.545 173.083 174.700 -0.119 0.000 1.012 94 T CA -0.542 61.539 62.100 -0.033 0.000 0.982 94 T CB 1.161 70.020 68.868 -0.015 0.000 1.018 94 T HN 0.595 nan 8.240 nan 0.000 0.451 95 A N 4.972 127.726 122.820 -0.110 0.000 2.350 95 A HA 0.438 4.767 4.320 0.014 0.000 0.293 95 A C 0.440 177.960 177.584 -0.108 0.000 1.231 95 A CA -0.490 51.343 52.037 -0.340 0.000 0.883 95 A CB -0.253 18.737 19.000 -0.018 0.000 1.133 95 A HN 0.882 nan 8.150 nan 0.000 0.533 96 N N 1.843 120.375 118.700 -0.280 0.000 2.444 96 N HA 0.389 5.137 4.740 0.014 0.000 0.271 96 N C -1.563 173.857 175.510 -0.151 0.000 1.069 96 N CA 0.305 53.327 53.050 -0.047 0.000 0.965 96 N CB 0.952 39.443 38.487 0.007 0.000 1.092 96 N HN 0.624 nan 8.380 nan 0.000 0.476 97 Y N 0.321 120.655 120.300 0.057 0.000 2.485 97 Y HA 0.334 4.890 4.550 0.010 0.000 0.345 97 Y C 0.095 176.054 175.900 0.097 0.000 0.998 97 Y CA -0.858 57.318 58.100 0.127 0.000 1.059 97 Y CB 1.591 40.107 38.460 0.093 0.000 1.234 97 Y HN 0.127 nan 8.280 nan 0.000 0.461 98 V N 4.908 124.995 119.914 0.288 0.000 2.350 98 V HA 0.295 4.424 4.120 0.014 0.000 0.276 98 V C -0.280 175.983 176.094 0.283 0.000 1.028 98 V CA -0.794 61.650 62.300 0.239 0.000 0.860 98 V CB 0.884 32.843 31.823 0.227 0.000 0.990 98 V HN 0.628 nan 8.190 nan 0.000 0.453 99 M N 4.979 124.715 119.600 0.227 0.000 2.077 99 M HA 0.307 4.796 4.480 0.014 0.000 0.348 99 M C 0.738 177.181 176.300 0.238 0.000 1.252 99 M CA 0.005 55.430 55.300 0.208 0.000 1.096 99 M CB 0.566 33.278 32.600 0.186 0.000 1.568 99 M HN 0.810 nan 8.290 nan 0.000 0.456 100 T N -1.154 113.493 114.554 0.155 0.000 3.058 100 T HA 0.564 4.923 4.350 0.014 0.000 0.278 100 T C 0.704 175.303 174.700 -0.167 0.000 0.974 100 T CA 0.205 62.374 62.100 0.115 0.000 0.893 100 T CB 0.663 69.582 68.868 0.085 0.000 1.138 100 T HN 0.784 nan 8.240 nan 0.000 0.529 101 G N 0.715 109.199 108.800 -0.526 0.000 2.399 101 G HA2 0.334 4.303 3.960 0.014 0.000 0.256 101 G HA3 0.334 4.303 3.960 0.014 0.000 0.256 101 G C 0.247 174.795 174.900 -0.587 0.000 1.236 101 G CA 0.052 44.645 45.100 -0.846 0.000 0.914 101 G HN -0.093 nan 8.290 nan 0.000 0.482 102 S N -0.771 114.658 115.700 -0.452 0.000 2.383 102 S HA -0.039 4.439 4.470 0.014 0.000 0.227 102 S C 1.705 176.056 174.600 -0.416 0.000 1.026 102 S CA 1.886 59.811 58.200 -0.458 0.000 0.981 102 S CB -0.234 62.611 63.200 -0.591 0.000 0.818 102 S HN 0.467 nan 8.310 nan 0.000 0.472 103 W N 1.347 122.611 121.300 -0.060 0.000 2.523 103 W HA 0.221 4.889 4.660 0.015 0.000 0.278 103 W C 2.621 179.129 176.519 -0.020 0.000 1.236 103 W CA 0.279 57.652 57.345 0.046 0.000 1.306 103 W CB -0.271 29.272 29.460 0.139 0.000 1.101 103 W HN 0.237 nan 8.180 nan 0.000 0.577 104 A N -0.425 122.505 122.820 0.184 0.000 1.898 104 A HA -0.224 4.104 4.320 0.014 0.000 0.216 104 A C 1.962 179.538 177.584 -0.013 0.000 1.181 104 A CA 2.048 54.178 52.037 0.155 0.000 0.620 104 A CB -1.245 17.849 19.000 0.157 0.000 0.819 104 A HN 0.153 nan 8.150 nan 0.000 0.442 105 S N -0.670 114.979 115.700 -0.085 0.000 2.399 105 S HA -0.153 4.326 4.470 0.014 0.000 0.231 105 S C 1.984 176.488 174.600 -0.160 0.000 1.022 105 S CA 1.672 59.795 58.200 -0.129 0.000 0.983 105 S CB -0.286 62.827 63.200 -0.146 0.000 0.803 105 S HN 0.570 nan 8.310 nan 0.000 0.480 106 K N 0.419 120.734 120.400 -0.142 0.000 2.228 106 K HA 0.143 4.471 4.320 0.014 0.000 0.202 106 K C 2.316 178.713 176.600 -0.338 0.000 1.051 106 K CA 0.811 57.044 56.287 -0.091 0.000 0.960 106 K CB -0.250 32.358 32.500 0.180 0.000 0.743 106 K HN 0.423 nan 8.250 nan 0.000 0.458 107 A N 1.509 123.900 122.820 -0.715 0.000 1.873 107 A HA -0.140 4.188 4.320 0.014 0.000 0.215 107 A C 2.079 179.247 177.584 -0.694 0.000 1.186 107 A CA 1.000 52.409 52.037 -1.046 0.000 0.616 107 A CB -0.455 18.064 19.000 -0.801 0.000 0.823 107 A HN 0.219 nan 8.150 nan 0.000 0.442 108 L N -0.027 120.762 121.223 -0.723 0.000 2.046 108 L HA -0.132 4.217 4.340 0.014 0.000 0.208 108 L C 2.181 178.778 176.870 -0.456 0.000 1.077 108 L CA 2.131 56.435 54.840 -0.893 0.000 0.747 108 L CB -0.474 41.231 42.059 -0.590 0.000 0.896 108 L HN 0.313 nan 8.230 nan 0.000 0.432 109 K N -0.625 119.611 120.400 -0.275 0.000 2.063 109 K HA -0.178 4.151 4.320 0.014 0.000 0.208 109 K C 1.986 178.535 176.600 -0.086 0.000 1.048 109 K CA 1.494 57.698 56.287 -0.138 0.000 0.928 109 K CB -0.155 32.300 32.500 -0.076 0.000 0.713 109 K HN 0.366 nan 8.250 nan 0.000 0.442 110 E N 0.454 120.611 120.200 -0.072 0.000 2.106 110 E HA -0.112 4.246 4.350 0.014 0.000 0.192 110 E C 2.033 178.636 176.600 0.005 0.000 0.984 110 E CA 0.945 57.354 56.400 0.015 0.000 0.806 110 E CB -0.196 29.571 29.700 0.113 0.000 0.750 110 E HN 0.280 nan 8.360 nan 0.000 0.458 111 A N 1.787 124.573 122.820 -0.056 0.000 1.940 111 A HA -0.236 4.093 4.320 0.014 0.000 0.219 111 A C 2.043 179.639 177.584 0.020 0.000 1.176 111 A CA 1.777 53.824 52.037 0.016 0.000 0.631 111 A CB -0.422 18.552 19.000 -0.043 0.000 0.814 111 A HN 0.149 nan 8.150 nan 0.000 0.446 112 K N -0.499 119.882 120.400 -0.033 0.000 2.280 112 K HA 0.026 4.355 4.320 0.014 0.000 0.202 112 K C 1.602 178.210 176.600 0.013 0.000 1.047 112 K CA 0.962 57.244 56.287 -0.008 0.000 0.942 112 K CB -0.303 32.179 32.500 -0.029 0.000 0.739 112 K HN 0.477 nan 8.250 nan 0.000 0.457 113 L N 0.669 121.903 121.223 0.018 0.000 2.291 113 L HA -0.115 4.233 4.340 0.014 0.000 0.214 113 L C 1.820 178.714 176.870 0.040 0.000 1.120 113 L CA 0.465 55.321 54.840 0.028 0.000 0.799 113 L CB -0.088 41.990 42.059 0.032 0.000 0.925 113 L HN 0.181 nan 8.230 nan 0.000 0.446 114 I N -1.683 118.920 120.570 0.055 0.000 3.172 114 I HA 0.249 4.428 4.170 0.014 0.000 0.278 114 I C 1.164 177.323 176.117 0.071 0.000 1.174 114 I CA 0.764 62.107 61.300 0.072 0.000 1.445 114 I CB -0.663 37.397 38.000 0.100 0.000 1.175 114 I HN 0.172 nan 8.210 nan 0.000 0.447 115 G N 0.244 109.086 108.800 0.069 0.000 2.500 115 G HA2 0.221 4.189 3.960 0.014 0.000 0.299 115 G HA3 0.221 4.189 3.960 0.014 0.000 0.299 115 G C -1.756 173.176 174.900 0.054 0.000 1.242 115 G CA -0.493 44.644 45.100 0.061 0.000 0.859 115 G HN -0.050 nan 8.290 nan 0.000 0.481 116 D N 1.432 121.861 120.400 0.049 0.000 2.351 116 D HA 0.496 5.144 4.640 0.014 0.000 0.251 116 D C 0.604 176.942 176.300 0.064 0.000 1.137 116 D CA 0.456 54.483 54.000 0.046 0.000 0.879 116 D CB 1.442 42.261 40.800 0.032 0.000 1.181 116 D HN 0.593 nan 8.370 nan 0.000 0.448 117 T N -1.053 113.549 114.554 0.080 0.000 2.916 117 T HA 0.527 4.886 4.350 0.014 0.000 0.292 117 T C -0.701 174.107 174.700 0.181 0.000 1.064 117 T CA -0.895 61.281 62.100 0.126 0.000 1.011 117 T CB 2.455 71.370 68.868 0.079 0.000 1.152 117 T HN 0.492 nan 8.240 nan 0.000 0.510 118 H N 0.080 119.205 119.070 0.092 0.000 3.026 118 H HA 0.411 4.975 4.556 0.014 0.000 0.352 118 H C -1.810 173.588 175.328 0.116 0.000 1.090 118 H CA -0.596 55.495 56.048 0.073 0.000 1.268 118 H CB 2.192 31.977 29.762 0.037 0.000 1.816 118 H HN 0.550 nan 8.280 nan 0.000 0.518 119 V N 5.434 125.098 119.914 -0.416 0.000 2.370 119 V HA 0.103 4.232 4.120 0.014 0.000 0.257 119 V C 1.354 177.133 176.094 -0.525 0.000 1.064 119 V CA 0.765 62.892 62.300 -0.289 0.000 0.975 119 V CB 0.266 32.013 31.823 -0.128 0.000 1.067 119 V HN 0.893 nan 8.190 nan 0.000 0.485 120 A N 4.511 127.172 122.820 -0.265 0.000 2.014 120 A HA 0.542 4.870 4.320 0.014 0.000 0.218 120 A C 1.093 178.664 177.584 -0.020 0.000 1.163 120 A CA 1.247 53.216 52.037 -0.113 0.000 0.652 120 A CB 0.069 19.081 19.000 0.021 0.000 0.808 120 A HN 1.249 nan 8.150 nan 0.000 0.449 121 A N -2.237 120.590 122.820 0.011 0.000 2.599 121 A HA 0.628 4.957 4.320 0.014 0.000 0.294 121 A C -0.592 177.042 177.584 0.084 0.000 1.055 121 A CA 0.322 52.392 52.037 0.056 0.000 0.683 121 A CB 0.467 19.523 19.000 0.093 0.000 1.278 121 A HN 0.874 nan 8.150 nan 0.000 0.412 122 S N -0.568 115.183 115.700 0.084 0.000 2.536 122 S HA 0.645 5.124 4.470 0.014 0.000 0.271 122 S C 0.250 174.902 174.600 0.086 0.000 1.134 122 S CA 0.369 58.633 58.200 0.108 0.000 0.897 122 S CB 1.508 64.752 63.200 0.073 0.000 1.094 122 S HN 1.961 nan 8.310 nan 0.000 0.473 123 S N 2.137 117.912 115.700 0.125 0.000 2.593 123 S HA 0.247 4.725 4.470 0.014 0.000 0.236 123 S C 0.987 175.478 174.600 -0.181 0.000 0.991 123 S CA -0.151 58.076 58.200 0.046 0.000 0.963 123 S CB 0.149 63.426 63.200 0.128 0.000 0.865 123 S HN 0.779 nan 8.310 nan 0.000 0.488 124 E N 1.753 121.780 120.200 -0.288 0.000 2.204 124 E HA -0.108 4.250 4.350 0.014 0.000 0.195 124 E C 1.947 178.290 176.600 -0.427 0.000 0.990 124 E CA 1.049 57.026 56.400 -0.705 0.000 0.821 124 E CB -0.283 29.229 29.700 -0.315 0.000 0.750 124 E HN 0.734 nan 8.360 nan 0.000 0.477 125 A N 0.717 123.404 122.820 -0.221 0.000 2.019 125 A HA -0.121 4.208 4.320 0.014 0.000 0.219 125 A C 2.067 179.564 177.584 -0.144 0.000 1.164 125 A CA 1.566 53.516 52.037 -0.145 0.000 0.644 125 A CB -0.207 18.744 19.000 -0.082 0.000 0.805 125 A HN 0.327 nan 8.150 nan 0.000 0.449 126 S N -1.518 114.082 115.700 -0.166 0.000 2.575 126 S HA 0.192 4.671 4.470 0.014 0.000 0.237 126 S C 0.316 174.827 174.600 -0.149 0.000 0.975 126 S CA 0.130 58.257 58.200 -0.121 0.000 0.960 126 S CB -0.277 62.879 63.200 -0.074 0.000 0.822 126 S HN 0.473 nan 8.310 nan 0.000 0.472 127 N N 0.996 119.532 118.700 -0.273 0.000 2.782 127 N HA -0.227 4.521 4.740 0.014 0.000 0.251 127 N C -0.723 174.693 175.510 -0.156 0.000 1.101 127 N CA 1.216 54.103 53.050 -0.272 0.000 0.764 127 N CB -2.166 36.266 38.487 -0.092 0.000 1.122 127 N HN 0.648 nan 8.380 nan 0.000 0.561 128 Y N -3.449 116.841 120.300 -0.017 0.000 4.569 128 Y HA -0.294 4.266 4.550 0.017 0.000 0.237 128 Y C 1.663 177.545 175.900 -0.030 0.000 1.090 128 Y CA 1.158 59.244 58.100 -0.023 0.000 2.052 128 Y CB -2.438 36.011 38.460 -0.019 0.000 1.621 128 Y HN 0.332 nan 8.280 nan 0.000 0.682 129 M N -1.157 118.476 119.600 0.055 0.000 2.447 129 M HA 0.029 4.517 4.480 0.014 0.000 0.264 129 M C 0.353 176.654 176.300 0.001 0.000 1.095 129 M CA 1.467 56.783 55.300 0.026 0.000 1.125 129 M CB 0.370 32.971 32.600 0.003 0.000 1.389 129 M HN 0.171 nan 8.290 nan 0.000 0.459 130 T N 1.376 115.927 114.554 -0.006 0.000 2.815 130 T HA 0.487 4.846 4.350 0.014 0.000 0.289 130 T C -0.253 174.434 174.700 -0.021 0.000 1.000 130 T CA -0.573 61.514 62.100 -0.021 0.000 0.958 130 T CB 1.624 70.480 68.868 -0.020 0.000 0.944 130 T HN 0.055 nan 8.240 nan 0.000 0.442 131 L N 4.405 125.588 121.223 -0.067 0.000 2.483 131 L HA 0.263 4.611 4.340 0.014 0.000 0.276 131 L C -1.929 174.945 176.870 0.007 0.000 1.213 131 L CA -1.734 53.038 54.840 -0.112 0.000 0.843 131 L CB 0.060 41.929 42.059 -0.317 0.000 1.107 131 L HN 0.334 nan 8.230 nan 0.000 0.487 132 P HA 0.147 nan 4.420 nan 0.000 0.275 132 P C -1.072 176.332 177.300 0.173 0.000 1.227 132 P CA -0.371 62.810 63.100 0.135 0.000 0.781 132 P CB 0.552 32.360 31.700 0.180 0.000 0.906 133 K N 2.053 122.518 120.400 0.109 0.000 2.237 133 K HA 0.180 4.509 4.320 0.014 0.000 0.270 133 K C 1.388 178.045 176.600 0.095 0.000 1.015 133 K CA -0.428 55.918 56.287 0.098 0.000 0.949 133 K CB 0.402 32.934 32.500 0.054 0.000 0.976 133 K HN 0.393 nan 8.250 nan 0.000 0.472 134 L N 1.821 123.090 121.223 0.076 0.000 2.189 134 L HA -0.306 4.042 4.340 0.014 0.000 0.214 134 L C 2.625 179.510 176.870 0.025 0.000 1.097 134 L CA 1.421 56.281 54.840 0.035 0.000 0.764 134 L CB -0.755 41.308 42.059 0.006 0.000 0.900 134 L HN 0.721 nan 8.230 nan 0.000 0.436 135 Q N 0.519 120.336 119.800 0.029 0.000 2.123 135 Q HA -0.205 4.143 4.340 0.014 0.000 0.199 135 Q C 1.585 177.603 176.000 0.029 0.000 0.966 135 Q CA 1.403 57.220 55.803 0.023 0.000 0.845 135 Q CB -0.400 28.350 28.738 0.020 0.000 0.907 135 Q HN 0.563 nan 8.270 nan 0.000 0.439 136 E N 1.089 121.313 120.200 0.040 0.000 2.338 136 E HA 0.009 4.367 4.350 0.014 0.000 0.197 136 E C 0.165 176.794 176.600 0.049 0.000 1.007 136 E CA 0.135 56.561 56.400 0.044 0.000 0.849 136 E CB -0.057 29.674 29.700 0.052 0.000 0.774 136 E HN 0.426 nan 8.360 nan 0.000 0.506 137 I N 2.594 123.192 120.570 0.047 0.000 2.494 137 I HA -0.061 4.117 4.170 0.014 0.000 0.289 137 I C 0.434 176.577 176.117 0.044 0.000 1.106 137 I CA 0.256 61.583 61.300 0.045 0.000 1.369 137 I CB 0.150 38.166 38.000 0.028 0.000 1.410 137 I HN 0.038 nan 8.210 nan 0.000 0.523 138 Q N 7.151 126.989 119.800 0.064 0.000 2.360 138 Q HA 0.367 4.716 4.340 0.014 0.000 0.254 138 Q C -1.391 174.684 176.000 0.125 0.000 0.975 138 Q CA -0.828 55.029 55.803 0.089 0.000 0.912 138 Q CB 1.268 30.076 28.738 0.118 0.000 1.212 138 Q HN 0.534 nan 8.270 nan 0.000 0.452 139 L N 3.288 124.558 121.223 0.077 0.000 2.343 139 L HA 0.335 4.683 4.340 0.014 0.000 0.275 139 L C -0.149 176.743 176.870 0.036 0.000 1.056 139 L CA -0.029 54.851 54.840 0.067 0.000 0.804 139 L CB 1.832 43.905 42.059 0.023 0.000 1.203 139 L HN 0.673 nan 8.230 nan 0.000 0.440 140 Q N 1.100 120.907 119.800 0.010 0.000 2.221 140 Q HA 0.092 4.440 4.340 0.014 0.000 0.242 140 Q C -0.085 175.890 176.000 -0.042 0.000 0.940 140 Q CA -0.418 55.349 55.803 -0.059 0.000 0.896 140 Q CB 1.296 29.948 28.738 -0.142 0.000 1.226 140 Q HN 0.612 nan 8.270 nan 0.000 0.463 141 D N 0.837 121.209 120.400 -0.047 0.000 2.178 141 D HA -0.138 4.511 4.640 0.014 0.000 0.202 141 D C 0.700 176.982 176.300 -0.030 0.000 0.974 141 D CA 1.105 55.086 54.000 -0.033 0.000 0.841 141 D CB 0.198 40.980 40.800 -0.030 0.000 0.953 141 D HN 0.520 nan 8.370 nan 0.000 0.478 142 N N -0.083 118.594 118.700 -0.039 0.000 2.279 142 N HA 0.199 4.948 4.740 0.014 0.000 0.226 142 N C -0.492 174.996 175.510 -0.036 0.000 1.126 142 N CA -0.242 52.789 53.050 -0.031 0.000 0.846 142 N CB -0.096 38.373 38.487 -0.031 0.000 1.050 142 N HN 0.057 nan 8.380 nan 0.000 0.502 143 A N -0.030 122.764 122.820 -0.043 0.000 2.488 143 A HA 0.583 4.911 4.320 0.014 0.000 0.249 143 A C 1.340 178.888 177.584 -0.059 0.000 1.083 143 A CA 0.040 52.039 52.037 -0.063 0.000 0.768 143 A CB 0.262 19.232 19.000 -0.051 0.000 1.017 143 A HN 0.423 nan 8.150 nan 0.000 0.496 144 A N 2.475 125.230 122.820 -0.109 0.000 1.970 144 A HA 0.446 4.775 4.320 0.014 0.000 0.216 144 A C 0.482 178.114 177.584 0.080 0.000 1.170 144 A CA 1.655 53.684 52.037 -0.013 0.000 0.645 144 A CB -0.260 18.752 19.000 0.020 0.000 0.816 144 A HN 1.813 nan 8.150 nan 0.000 0.447 145 Y N -5.214 115.074 120.300 -0.020 0.000 2.810 145 Y HA 0.575 5.135 4.550 0.017 0.000 0.355 145 Y C -1.625 174.227 175.900 -0.079 0.000 1.211 145 Y CA -2.053 56.007 58.100 -0.068 0.000 1.112 145 Y CB 0.298 38.713 38.460 -0.075 0.000 1.383 145 Y HN 0.067 nan 8.280 nan 0.000 0.458 146 L N 3.218 124.544 121.223 0.171 0.000 2.319 146 L HA 0.504 4.852 4.340 0.014 0.000 0.281 146 L C -1.092 175.855 176.870 0.128 0.000 1.005 146 L CA -0.348 54.526 54.840 0.058 0.000 0.828 146 L CB 0.964 43.013 42.059 -0.016 0.000 1.227 146 L HN 0.904 nan 8.230 nan 0.000 0.415 147 H N 5.848 124.886 119.070 -0.054 0.000 2.458 147 H HA 0.660 5.223 4.556 0.012 0.000 0.330 147 H C -1.447 173.901 175.328 0.033 0.000 1.111 147 H CA -0.528 55.491 56.048 -0.048 0.000 1.245 147 H CB 1.650 31.249 29.762 -0.271 0.000 1.456 147 H HN 0.645 nan 8.280 nan 0.000 0.488 148 L N 1.938 123.014 121.223 -0.245 0.000 2.415 148 L HA 0.495 4.843 4.340 0.014 0.000 0.256 148 L C -0.750 176.076 176.870 -0.074 0.000 1.010 148 L CA -0.823 54.005 54.840 -0.019 0.000 0.826 148 L CB 1.539 43.582 42.059 -0.026 0.000 1.405 148 L HN 0.395 nan 8.230 nan 0.000 0.410 149 T N 0.544 115.219 114.554 0.203 0.000 2.753 149 T HA 0.325 4.684 4.350 0.014 0.000 0.297 149 T C 1.195 176.101 174.700 0.342 0.000 0.981 149 T CA 0.191 62.411 62.100 0.199 0.000 0.956 149 T CB 1.028 70.056 68.868 0.266 0.000 0.936 149 T HN 0.916 nan 8.240 nan 0.000 0.463 150 S N 3.450 119.297 115.700 0.245 0.000 2.368 150 S HA -0.082 4.396 4.470 0.014 0.000 0.225 150 S C 0.787 175.580 174.600 0.323 0.000 1.030 150 S CA 0.585 59.042 58.200 0.429 0.000 0.999 150 S CB -0.233 63.115 63.200 0.246 0.000 0.844 150 S HN 0.618 nan 8.310 nan 0.000 0.459 151 N N 0.977 119.782 118.700 0.174 0.000 2.410 151 N HA 0.240 4.989 4.740 0.014 0.000 0.287 151 N C -1.923 173.670 175.510 0.139 0.000 1.044 151 N CA -0.311 52.818 53.050 0.132 0.000 0.881 151 N CB 1.437 39.997 38.487 0.122 0.000 1.405 151 N HN -0.016 nan 8.380 nan 0.000 0.490 152 E N 2.655 122.928 120.200 0.123 0.000 1.893 152 E HA 0.103 4.461 4.350 0.014 0.000 0.269 152 E C 0.563 177.273 176.600 0.184 0.000 1.129 152 E CA 0.018 56.516 56.400 0.163 0.000 0.904 152 E CB 0.404 30.143 29.700 0.067 0.000 1.077 152 E HN 0.667 nan 8.360 nan 0.000 0.407 153 T N 2.421 117.142 114.554 0.278 0.000 2.721 153 T HA -0.184 4.174 4.350 0.014 0.000 0.268 153 T C 1.878 176.702 174.700 0.206 0.000 1.038 153 T CA 1.167 63.428 62.100 0.268 0.000 1.145 153 T CB 0.049 69.122 68.868 0.342 0.000 0.858 153 T HN 0.394 nan 8.240 nan 0.000 0.459 154 I N 0.420 121.086 120.570 0.161 0.000 2.277 154 I HA -0.036 4.143 4.170 0.014 0.000 0.243 154 I C 2.475 178.604 176.117 0.021 0.000 1.094 154 I CA 1.137 62.449 61.300 0.020 0.000 1.393 154 I CB -0.219 37.648 38.000 -0.221 0.000 1.078 154 I HN 0.106 nan 8.210 nan 0.000 0.417 155 E N 0.715 120.921 120.200 0.011 0.000 2.371 155 E HA 0.082 4.440 4.350 0.014 0.000 0.194 155 E C 1.284 177.917 176.600 0.055 0.000 1.012 155 E CA 0.730 57.146 56.400 0.027 0.000 0.860 155 E CB 0.098 29.807 29.700 0.015 0.000 0.811 155 E HN 0.480 nan 8.360 nan 0.000 0.502 156 G N -0.084 108.757 108.800 0.069 0.000 2.149 156 G HA2 -0.185 3.784 3.960 0.014 0.000 0.235 156 G HA3 -0.185 3.784 3.960 0.014 0.000 0.235 156 G C 0.101 175.043 174.900 0.070 0.000 1.018 156 G CA 0.041 45.193 45.100 0.087 0.000 0.728 156 G HN 0.490 nan 8.290 nan 0.000 0.508 157 A N -0.536 122.303 122.820 0.032 0.000 2.324 157 A HA 0.910 5.238 4.320 0.014 0.000 0.330 157 A C -0.026 177.526 177.584 -0.053 0.000 1.165 157 A CA 0.093 52.112 52.037 -0.031 0.000 0.813 157 A CB 1.526 20.481 19.000 -0.075 0.000 1.197 157 A HN 0.939 nan 8.150 nan 0.000 0.484 158 Q N 1.523 121.268 119.800 -0.091 0.000 2.289 158 Q HA 0.534 4.882 4.340 0.014 0.000 0.270 158 Q C -1.877 174.057 176.000 -0.110 0.000 1.038 158 Q CA -0.568 55.204 55.803 -0.052 0.000 0.812 158 Q CB 1.328 30.092 28.738 0.043 0.000 1.300 158 Q HN 0.596 nan 8.270 nan 0.000 0.427 159 F N 2.619 122.560 119.950 -0.015 0.000 2.484 159 F HA 0.151 4.685 4.527 0.012 0.000 0.360 159 F C 1.127 176.777 175.800 -0.250 0.000 1.101 159 F CA 0.183 58.103 58.000 -0.134 0.000 1.251 159 F CB 0.889 39.787 39.000 -0.170 0.000 1.132 159 F HN 0.619 nan 8.300 nan 0.000 0.570 160 K N 1.986 122.366 120.400 -0.033 0.000 2.262 160 K HA 0.360 4.689 4.320 0.014 0.000 0.200 160 K C 0.098 176.550 176.600 -0.246 0.000 1.049 160 K CA 0.501 56.726 56.287 -0.104 0.000 0.979 160 K CB 0.357 32.829 32.500 -0.048 0.000 0.773 160 K HN 0.602 nan 8.250 nan 0.000 0.474 161 A N -0.449 122.157 122.820 -0.358 0.000 2.594 161 A HA 0.725 5.053 4.320 0.014 0.000 0.291 161 A C -1.445 175.730 177.584 -0.682 0.000 1.105 161 A CA -0.761 51.008 52.037 -0.448 0.000 0.694 161 A CB 0.803 19.713 19.000 -0.150 0.000 1.291 161 A HN 0.005 nan 8.150 nan 0.000 0.410 162 F N 0.724 120.648 119.950 -0.043 0.000 2.538 162 F HA 0.686 5.222 4.527 0.016 0.000 0.325 162 F C -1.906 173.788 175.800 -0.176 0.000 1.066 162 F CA -2.073 55.817 58.000 -0.184 0.000 0.946 162 F CB 1.513 40.400 39.000 -0.188 0.000 1.199 162 F HN 0.367 nan 8.300 nan 0.000 0.473 163 P HA 0.132 nan 4.420 nan 0.000 0.279 163 P C -1.326 175.921 177.300 -0.088 0.000 1.252 163 P CA -0.305 62.755 63.100 -0.068 0.000 0.811 163 P CB 1.305 32.953 31.700 -0.086 0.000 1.035 164 D N 0.295 120.659 120.400 -0.061 0.000 2.380 164 D HA 0.129 4.778 4.640 0.014 0.000 0.230 164 D C 1.014 177.273 176.300 -0.067 0.000 1.154 164 D CA -0.322 53.640 54.000 -0.063 0.000 0.859 164 D CB 0.289 41.069 40.800 -0.033 0.000 1.045 164 D HN 0.246 nan 8.370 nan 0.000 0.495 165 T N 1.003 115.502 114.554 -0.092 0.000 3.107 165 T HA 0.401 4.759 4.350 0.014 0.000 0.249 165 T C 1.365 176.032 174.700 -0.055 0.000 1.096 165 T CA 0.151 62.205 62.100 -0.076 0.000 1.012 165 T CB -0.274 68.535 68.868 -0.099 0.000 0.977 165 T HN 0.601 nan 8.240 nan 0.000 0.527 166 G N 1.887 110.657 108.800 -0.049 0.000 2.556 166 G HA2 -0.362 3.607 3.960 0.014 0.000 0.283 166 G HA3 -0.362 3.607 3.960 0.014 0.000 0.283 166 G C 1.105 175.982 174.900 -0.039 0.000 1.177 166 G CA 0.350 45.428 45.100 -0.036 0.000 0.978 166 G HN 0.523 nan 8.290 nan 0.000 0.554 167 S N -0.286 115.394 115.700 -0.032 0.000 2.447 167 S HA 0.171 4.650 4.470 0.014 0.000 0.233 167 S C 1.182 175.759 174.600 -0.039 0.000 1.006 167 S CA 1.042 59.223 58.200 -0.032 0.000 0.957 167 S CB 0.038 63.224 63.200 -0.024 0.000 0.773 167 S HN 0.827 nan 8.310 nan 0.000 0.507 168 V N 4.359 124.250 119.914 -0.039 0.000 2.427 168 V HA 0.191 4.320 4.120 0.014 0.000 0.268 168 V C -2.388 173.675 176.094 -0.052 0.000 1.046 168 V CA -2.029 60.249 62.300 -0.036 0.000 0.970 168 V CB 0.414 32.220 31.823 -0.028 0.000 1.001 168 V HN 0.099 nan 8.190 nan 0.000 0.476 169 P HA 0.079 nan 4.420 nan 0.000 0.264 169 P C -0.598 176.662 177.300 -0.067 0.000 1.193 169 P CA -0.200 62.844 63.100 -0.093 0.000 0.763 169 P CB 0.459 32.052 31.700 -0.178 0.000 0.810 170 L N 5.782 126.929 121.223 -0.126 0.000 2.276 170 L HA 0.450 4.798 4.340 0.014 0.000 0.286 170 L C -0.800 176.038 176.870 -0.053 0.000 1.061 170 L CA -0.048 54.678 54.840 -0.191 0.000 0.807 170 L CB 0.083 41.836 42.059 -0.509 0.000 1.177 170 L HN 0.261 nan 8.230 nan 0.000 0.429 171 I N 4.582 125.159 120.570 0.013 0.000 2.465 171 I HA 0.641 4.819 4.170 0.014 0.000 0.291 171 I C 0.218 176.358 176.117 0.038 0.000 1.014 171 I CA -0.593 60.764 61.300 0.094 0.000 1.093 171 I CB 1.972 39.981 38.000 0.015 0.000 1.267 171 I HN 0.755 nan 8.210 nan 0.000 0.431 172 G N 3.339 112.176 108.800 0.061 0.000 2.687 172 G HA2 0.309 4.277 3.960 0.014 0.000 0.301 172 G HA3 0.309 4.277 3.960 0.014 0.000 0.301 172 G C -1.575 173.068 174.900 -0.428 0.000 1.416 172 G CA -0.335 44.650 45.100 -0.191 0.000 1.005 172 G HN 0.519 nan 8.290 nan 0.000 0.509 173 D N 2.376 122.451 120.400 -0.543 0.000 2.352 173 D HA 0.232 4.880 4.640 0.014 0.000 0.245 173 D C 0.780 176.789 176.300 -0.484 0.000 1.224 173 D CA -0.176 53.331 54.000 -0.823 0.000 0.879 173 D CB 0.831 41.442 40.800 -0.315 0.000 1.057 173 D HN 0.226 nan 8.370 nan 0.000 0.491 174 M N 2.413 121.698 119.600 -0.525 0.000 2.673 174 M HA 0.062 4.551 4.480 0.014 0.000 0.334 174 M C 1.598 177.740 176.300 -0.263 0.000 1.211 174 M CA -0.390 54.708 55.300 -0.337 0.000 0.962 174 M CB 0.542 32.907 32.600 -0.392 0.000 1.343 174 M HN 0.164 nan 8.290 nan 0.000 0.511 175 S N 1.059 116.578 115.700 -0.302 0.000 2.372 175 S HA -0.170 4.309 4.470 0.014 0.000 0.227 175 S C 1.909 176.385 174.600 -0.208 0.000 1.044 175 S CA 2.319 60.361 58.200 -0.262 0.000 1.050 175 S CB -0.202 62.798 63.200 -0.332 0.000 0.901 175 S HN 0.704 nan 8.310 nan 0.000 0.447 176 S N 0.836 116.455 115.700 -0.135 0.000 2.575 176 S HA 0.054 4.532 4.470 0.014 0.000 0.215 176 S C 0.721 175.367 174.600 0.077 0.000 0.966 176 S CA 0.599 58.785 58.200 -0.023 0.000 0.911 176 S CB 0.030 63.316 63.200 0.143 0.000 0.780 176 S HN 0.652 nan 8.310 nan 0.000 0.514 177 D N 0.042 120.452 120.400 0.017 0.000 2.538 177 D HA 0.199 4.848 4.640 0.014 0.000 0.241 177 D C 0.187 176.502 176.300 0.025 0.000 1.297 177 D CA -0.608 53.432 54.000 0.067 0.000 0.804 177 D CB -0.783 40.077 40.800 0.101 0.000 1.122 177 D HN 0.468 nan 8.370 nan 0.000 0.519 178 I N 1.511 122.056 120.570 -0.041 0.000 2.683 178 I HA -0.055 4.123 4.170 0.014 0.000 0.286 178 I C 0.109 176.256 176.117 0.049 0.000 1.175 178 I CA 0.047 61.332 61.300 -0.026 0.000 1.429 178 I CB 0.288 38.243 38.000 -0.076 0.000 1.371 178 I HN -0.025 nan 8.210 nan 0.000 0.569 179 L N 5.041 126.335 121.223 0.119 0.000 3.865 179 L HA -0.245 4.103 4.340 0.014 0.000 0.408 179 L C 1.306 178.246 176.870 0.118 0.000 1.209 179 L CA 1.559 56.467 54.840 0.114 0.000 0.940 179 L CB -2.384 39.721 42.059 0.078 0.000 1.971 179 L HN 0.854 nan 8.230 nan 0.000 0.899 180 S N -1.484 114.296 115.700 0.132 0.000 2.526 180 S HA 0.425 4.904 4.470 0.014 0.000 0.220 180 S C 0.585 175.263 174.600 0.130 0.000 1.017 180 S CA 0.167 58.449 58.200 0.138 0.000 0.930 180 S CB 0.488 63.778 63.200 0.150 0.000 0.856 180 S HN 0.650 nan 8.310 nan 0.000 0.497 181 R N 0.216 120.805 120.500 0.149 0.000 2.604 181 R HA 0.551 4.900 4.340 0.014 0.000 0.261 181 R C -3.557 172.867 176.300 0.206 0.000 1.080 181 R CA -1.618 54.572 56.100 0.151 0.000 0.917 181 R CB 0.283 30.677 30.300 0.156 0.000 1.252 181 R HN -0.045 nan 8.270 nan 0.000 0.456 182 P HA 0.230 nan 4.420 nan 0.000 0.275 182 P C -1.091 176.347 177.300 0.229 0.000 1.228 182 P CA -0.109 63.051 63.100 0.099 0.000 0.786 182 P CB 0.446 32.159 31.700 0.021 0.000 0.927 183 F N -1.310 118.669 119.950 0.049 0.000 2.686 183 F HA 0.490 5.024 4.527 0.013 0.000 0.311 183 F C -1.144 174.692 175.800 0.059 0.000 1.128 183 F CA -1.470 56.594 58.000 0.108 0.000 0.946 183 F CB 0.749 39.863 39.000 0.190 0.000 1.336 183 F HN 0.041 nan 8.300 nan 0.000 0.457 184 D N 2.299 122.842 120.400 0.238 0.000 2.393 184 D HA 0.157 4.805 4.640 0.014 0.000 0.232 184 D C 0.771 177.173 176.300 0.169 0.000 1.192 184 D CA -0.055 53.996 54.000 0.086 0.000 0.882 184 D CB 1.122 42.003 40.800 0.135 0.000 1.038 184 D HN 0.722 nan 8.370 nan 0.000 0.499 185 L N 4.620 125.737 121.223 -0.176 0.000 2.261 185 L HA -0.114 4.234 4.340 0.014 0.000 0.216 185 L C 1.485 178.331 176.870 -0.041 0.000 1.114 185 L CA 1.430 56.175 54.840 -0.158 0.000 0.777 185 L CB -0.380 41.312 42.059 -0.611 0.000 0.910 185 L HN 0.389 nan 8.230 nan 0.000 0.440 186 N N -0.448 118.265 118.700 0.022 0.000 2.364 186 N HA -0.193 4.556 4.740 0.014 0.000 0.183 186 N C 1.627 177.248 175.510 0.185 0.000 1.022 186 N CA 1.060 54.215 53.050 0.174 0.000 0.883 186 N CB -0.119 38.437 38.487 0.115 0.000 0.965 186 N HN 0.633 nan 8.380 nan 0.000 0.438 187 Q N -0.743 119.158 119.800 0.168 0.000 2.297 187 Q HA 0.022 4.370 4.340 0.014 0.000 0.204 187 Q C -0.174 175.740 176.000 -0.143 0.000 0.962 187 Q CA 0.690 56.497 55.803 0.007 0.000 0.879 187 Q CB 0.145 28.856 28.738 -0.044 0.000 0.947 187 Q HN 0.221 nan 8.270 nan 0.000 0.462 188 F N -1.724 118.246 119.950 0.035 0.000 2.432 188 F HA 0.368 4.903 4.527 0.014 0.000 0.329 188 F C 1.242 177.111 175.800 0.115 0.000 1.076 188 F CA -0.536 57.471 58.000 0.010 0.000 1.018 188 F CB 1.212 40.181 39.000 -0.051 0.000 1.201 188 F HN -0.170 nan 8.300 nan 0.000 0.489 189 G N 0.924 109.841 108.800 0.196 0.000 2.559 189 G HA2 0.229 4.198 3.960 0.014 0.000 0.209 189 G HA3 0.229 4.198 3.960 0.014 0.000 0.209 189 G C -0.575 174.370 174.900 0.075 0.000 1.151 189 G CA 0.194 45.326 45.100 0.053 0.000 0.824 189 G HN 0.453 nan 8.290 nan 0.000 0.543 190 L N 0.818 122.100 121.223 0.097 0.000 2.505 190 L HA 0.668 5.017 4.340 0.014 0.000 0.266 190 L C -1.681 175.257 176.870 0.113 0.000 0.954 190 L CA -0.684 54.195 54.840 0.065 0.000 0.852 190 L CB 2.541 44.579 42.059 -0.036 0.000 1.282 190 L HN -0.110 nan 8.230 nan 0.000 0.403 191 V N 4.623 124.563 119.914 0.042 0.000 2.604 191 V HA 0.599 4.727 4.120 0.014 0.000 0.305 191 V C -1.178 174.962 176.094 0.075 0.000 1.043 191 V CA -0.418 61.828 62.300 -0.091 0.000 0.888 191 V CB 1.861 33.490 31.823 -0.323 0.000 0.995 191 V HN 0.682 nan 8.190 nan 0.000 0.429 192 Y N 2.414 122.639 120.300 -0.125 0.000 2.581 192 Y HA 0.962 5.523 4.550 0.018 0.000 0.345 192 Y C -0.557 175.292 175.900 -0.085 0.000 1.036 192 Y CA -1.527 56.532 58.100 -0.069 0.000 1.042 192 Y CB 1.966 40.425 38.460 -0.002 0.000 1.289 192 Y HN 0.806 nan 8.280 nan 0.000 0.471 193 A N 1.188 124.012 122.820 0.007 0.000 2.512 193 A HA 0.633 4.962 4.320 0.014 0.000 0.294 193 A C -0.429 177.120 177.584 -0.057 0.000 1.054 193 A CA -0.328 51.643 52.037 -0.111 0.000 0.756 193 A CB 0.568 19.486 19.000 -0.137 0.000 1.293 193 A HN 1.651 nan 8.150 nan 0.000 0.395 194 G N 0.748 109.481 108.800 -0.112 0.000 2.398 194 G HA2 0.549 4.517 3.960 0.014 0.000 0.246 194 G HA3 0.549 4.517 3.960 0.014 0.000 0.246 194 G C 1.028 175.861 174.900 -0.112 0.000 1.289 194 G CA 0.384 45.422 45.100 -0.105 0.000 0.869 194 G HN 1.803 nan 8.290 nan 0.000 0.543 195 A N 2.284 125.056 122.820 -0.080 0.000 2.015 195 A HA -0.081 4.248 4.320 0.014 0.000 0.219 195 A C 2.317 179.824 177.584 -0.127 0.000 1.163 195 A CA 1.635 53.618 52.037 -0.091 0.000 0.646 195 A CB -0.201 18.759 19.000 -0.068 0.000 0.806 195 A HN 0.730 nan 8.150 nan 0.000 0.448 196 Q N -0.206 119.522 119.800 -0.120 0.000 2.439 196 Q HA -0.179 4.170 4.340 0.014 0.000 0.211 196 Q C 1.242 177.127 176.000 -0.192 0.000 0.978 196 Q CA 1.787 57.515 55.803 -0.124 0.000 0.897 196 Q CB -0.262 28.429 28.738 -0.079 0.000 0.956 196 Q HN 0.455 nan 8.270 nan 0.000 0.483 197 K N 0.753 120.985 120.400 -0.281 0.000 2.078 197 K HA 0.049 4.378 4.320 0.014 0.000 0.203 197 K C 1.296 177.415 176.600 -0.801 0.000 1.043 197 K CA 1.442 57.410 56.287 -0.533 0.000 0.960 197 K CB 0.219 32.435 32.500 -0.473 0.000 0.761 197 K HN 0.225 nan 8.250 nan 0.000 0.448 198 N N -1.217 117.198 118.700 -0.475 0.000 2.118 198 N HA 0.205 4.953 4.740 0.014 0.000 0.226 198 N C 0.011 175.432 175.510 -0.149 0.000 1.305 198 N CA 0.120 52.977 53.050 -0.321 0.000 0.890 198 N CB 0.832 39.189 38.487 -0.217 0.000 1.118 198 N HN -0.020 nan 8.380 nan 0.000 0.511 199 L N -1.230 119.905 121.223 -0.147 0.000 2.766 199 L HA 0.519 4.868 4.340 0.014 0.000 0.242 199 L C 1.108 177.903 176.870 -0.126 0.000 1.136 199 L CA 0.253 55.033 54.840 -0.100 0.000 0.933 199 L CB 0.383 42.400 42.059 -0.071 0.000 1.241 199 L HN 0.212 nan 8.230 nan 0.000 0.522 200 G N 0.923 109.635 108.800 -0.146 0.000 2.731 200 G HA2 -0.157 3.812 3.960 0.014 0.000 0.218 200 G HA3 -0.157 3.812 3.960 0.014 0.000 0.218 200 G C -2.617 172.216 174.900 -0.111 0.000 1.349 200 G CA -0.450 44.565 45.100 -0.142 0.000 1.225 200 G HN 0.019 nan 8.290 nan 0.000 0.526 201 P HA 0.422 nan 4.420 nan 0.000 0.271 201 P C -0.063 177.210 177.300 -0.044 0.000 1.216 201 P CA 0.839 63.909 63.100 -0.051 0.000 0.776 201 P CB 1.393 33.062 31.700 -0.051 0.000 0.881 202 S N 0.853 116.543 115.700 -0.017 0.000 2.525 202 S HA 0.649 5.127 4.470 0.014 0.000 0.278 202 S C 0.960 175.562 174.600 0.003 0.000 1.234 202 S CA 0.125 58.314 58.200 -0.018 0.000 1.058 202 S CB 0.854 64.047 63.200 -0.012 0.000 0.983 202 S HN 0.857 nan 8.310 nan 0.000 0.495 203 G N 0.310 109.108 108.800 -0.004 0.000 2.370 203 G HA2 -0.001 3.967 3.960 0.014 0.000 0.174 203 G HA3 -0.001 3.967 3.960 0.014 0.000 0.174 203 G C -0.335 174.570 174.900 0.009 0.000 1.002 203 G CA 0.004 45.110 45.100 0.010 0.000 0.730 203 G HN 1.577 nan 8.290 nan 0.000 0.497 204 V N 1.244 121.157 119.914 -0.003 0.000 2.760 204 V HA 0.845 4.973 4.120 0.014 0.000 0.309 204 V C -0.932 175.174 176.094 0.020 0.000 1.077 204 V CA 0.210 62.518 62.300 0.014 0.000 0.910 204 V CB 2.286 34.098 31.823 -0.019 0.000 1.008 204 V HN 0.346 nan 8.190 nan 0.000 0.424 205 T N 5.759 120.345 114.554 0.054 0.000 2.792 205 T HA 0.551 4.910 4.350 0.014 0.000 0.280 205 T C -0.563 174.208 174.700 0.118 0.000 0.990 205 T CA -0.337 61.794 62.100 0.052 0.000 0.960 205 T CB 1.461 70.341 68.868 0.021 0.000 0.939 205 T HN 0.566 nan 8.240 nan 0.000 0.439 206 V N 4.140 124.126 119.914 0.120 0.000 2.432 206 V HA 0.436 4.564 4.120 0.014 0.000 0.275 206 V C -0.103 176.031 176.094 0.066 0.000 1.043 206 V CA -0.526 61.856 62.300 0.137 0.000 0.925 206 V CB 1.370 33.273 31.823 0.134 0.000 0.985 206 V HN 0.702 nan 8.190 nan 0.000 0.466 207 V N 6.708 126.623 119.914 0.002 0.000 2.443 207 V HA 0.490 4.618 4.120 0.014 0.000 0.293 207 V C -0.309 175.753 176.094 -0.053 0.000 1.021 207 V CA -0.380 61.920 62.300 -0.000 0.000 0.848 207 V CB 1.740 33.555 31.823 -0.013 0.000 0.998 207 V HN 0.692 nan 8.190 nan 0.000 0.424 208 I N 5.458 126.017 120.570 -0.019 0.000 2.330 208 I HA 0.494 4.672 4.170 0.014 0.000 0.286 208 I C -0.391 175.769 176.117 0.072 0.000 1.025 208 I CA -0.559 60.743 61.300 0.004 0.000 1.197 208 I CB 1.651 39.640 38.000 -0.017 0.000 1.358 208 I HN 0.382 nan 8.210 nan 0.000 0.467 209 V N 7.108 127.055 119.914 0.055 0.000 2.628 209 V HA 0.457 4.585 4.120 0.014 0.000 0.306 209 V C 0.032 176.113 176.094 -0.021 0.000 1.045 209 V CA -0.727 61.579 62.300 0.011 0.000 0.905 209 V CB 2.241 33.975 31.823 -0.148 0.000 0.997 209 V HN 0.754 nan 8.190 nan 0.000 0.436 210 R N 3.988 124.378 120.500 -0.182 0.000 2.370 210 R HA 0.157 4.506 4.340 0.014 0.000 0.309 210 R C 1.202 177.325 176.300 -0.295 0.000 1.059 210 R CA 0.202 55.954 56.100 -0.580 0.000 0.981 210 R CB 0.530 30.462 30.300 -0.612 0.000 0.972 210 R HN 0.872 nan 8.270 nan 0.000 0.437 211 E N 1.994 122.038 120.200 -0.259 0.000 2.147 211 E HA -0.286 4.073 4.350 0.014 0.000 0.199 211 E C 1.019 177.567 176.600 -0.086 0.000 1.005 211 E CA 1.824 58.148 56.400 -0.127 0.000 0.810 211 E CB 0.039 29.679 29.700 -0.100 0.000 0.736 211 E HN 0.724 nan 8.360 nan 0.000 0.460 212 D N 0.567 120.898 120.400 -0.115 0.000 2.348 212 D HA -0.141 4.508 4.640 0.014 0.000 0.216 212 D C 1.690 177.967 176.300 -0.039 0.000 0.970 212 D CA 0.640 54.598 54.000 -0.069 0.000 0.889 212 D CB -0.222 40.530 40.800 -0.081 0.000 0.912 212 D HN 0.276 nan 8.370 nan 0.000 0.524 213 L N 0.224 121.416 121.223 -0.052 0.000 2.375 213 L HA 0.063 4.412 4.340 0.014 0.000 0.215 213 L C 1.687 178.681 176.870 0.207 0.000 1.108 213 L CA 0.417 55.255 54.840 -0.004 0.000 0.830 213 L CB 0.273 42.220 42.059 -0.187 0.000 0.959 213 L HN 0.053 nan 8.230 nan 0.000 0.457 214 V N -5.136 114.863 119.914 0.142 0.000 3.159 214 V HA 0.435 4.563 4.120 0.014 0.000 0.333 214 V C 1.803 177.959 176.094 0.103 0.000 1.424 214 V CA 0.320 62.727 62.300 0.178 0.000 1.125 214 V CB 0.029 31.945 31.823 0.154 0.000 1.075 214 V HN 0.106 nan 8.190 nan 0.000 0.482 215 A N 0.879 123.740 122.820 0.068 0.000 1.940 215 A HA -0.071 4.258 4.320 0.014 0.000 0.219 215 A C 1.206 178.816 177.584 0.043 0.000 1.176 215 A CA 1.828 53.891 52.037 0.042 0.000 0.631 215 A CB -0.139 18.876 19.000 0.025 0.000 0.814 215 A HN 0.732 nan 8.150 nan 0.000 0.446 216 E N 0.011 120.244 120.200 0.056 0.000 2.255 216 E HA 0.459 4.817 4.350 0.014 0.000 0.256 216 E C -1.235 175.392 176.600 0.045 0.000 0.887 216 E CA -0.349 56.075 56.400 0.040 0.000 0.782 216 E CB 1.326 31.047 29.700 0.035 0.000 1.214 216 E HN 0.291 nan 8.360 nan 0.000 0.417 217 S N 3.887 119.594 115.700 0.013 0.000 2.646 217 S HA 0.420 4.898 4.470 0.014 0.000 0.276 217 S C -2.435 172.133 174.600 -0.054 0.000 1.222 217 S CA -1.211 56.974 58.200 -0.025 0.000 1.014 217 S CB 1.138 64.301 63.200 -0.061 0.000 0.991 217 S HN 0.467 nan 8.310 nan 0.000 0.533 218 P HA 0.105 nan 4.420 nan 0.000 0.262 218 P C 0.243 177.436 177.300 -0.178 0.000 1.199 218 P CA 0.141 63.178 63.100 -0.104 0.000 0.763 218 P CB 0.293 31.871 31.700 -0.204 0.000 0.790 219 K N 2.433 122.803 120.400 -0.049 0.000 2.211 219 K HA -0.197 4.132 4.320 0.014 0.000 0.204 219 K C 1.849 178.425 176.600 -0.040 0.000 1.047 219 K CA 1.157 57.421 56.287 -0.039 0.000 0.935 219 K CB -0.260 32.249 32.500 0.016 0.000 0.728 219 K HN 0.716 nan 8.250 nan 0.000 0.452 220 H N 0.384 119.440 119.070 -0.023 0.000 2.457 220 H HA 0.022 4.589 4.556 0.018 0.000 0.294 220 H C 0.719 176.029 175.328 -0.031 0.000 1.064 220 H CA 0.183 56.218 56.048 -0.022 0.000 1.330 220 H CB -0.488 29.266 29.762 -0.013 0.000 1.395 220 H HN 0.038 nan 8.280 nan 0.000 0.541 221 L N 2.506 123.431 121.223 -0.498 0.000 2.461 221 L HA 0.166 4.515 4.340 0.014 0.000 0.272 221 L C -1.871 174.897 176.870 -0.170 0.000 1.197 221 L CA -1.822 52.820 54.840 -0.330 0.000 0.836 221 L CB 0.275 42.098 42.059 -0.393 0.000 1.105 221 L HN 0.072 nan 8.230 nan 0.000 0.477 222 P HA 0.027 nan 4.420 nan 0.000 0.269 222 P C 0.602 177.828 177.300 -0.124 0.000 1.209 222 P CA -0.081 62.968 63.100 -0.084 0.000 0.776 222 P CB 0.563 32.231 31.700 -0.054 0.000 0.876 223 T N 1.190 115.666 114.554 -0.130 0.000 2.699 223 T HA -0.165 4.194 4.350 0.014 0.000 0.268 223 T C 1.567 176.108 174.700 -0.265 0.000 1.036 223 T CA 1.453 63.415 62.100 -0.230 0.000 1.147 223 T CB -0.416 68.289 68.868 -0.272 0.000 0.862 223 T HN 0.368 nan 8.240 nan 0.000 0.446 224 M N 0.414 119.930 119.600 -0.140 0.000 2.630 224 M HA 0.218 4.706 4.480 0.014 0.000 0.254 224 M C 1.333 177.660 176.300 0.045 0.000 1.092 224 M CA 0.798 56.068 55.300 -0.050 0.000 1.087 224 M CB -0.880 31.751 32.600 0.051 0.000 1.453 224 M HN 0.265 nan 8.290 nan 0.000 0.509 225 L N -0.720 120.463 121.223 -0.066 0.000 2.857 225 L HA 0.199 4.548 4.340 0.014 0.000 0.249 225 L C 0.217 176.939 176.870 -0.246 0.000 1.172 225 L CA -0.112 54.649 54.840 -0.132 0.000 0.980 225 L CB 0.227 42.203 42.059 -0.139 0.000 1.299 225 L HN 0.086 nan 8.230 nan 0.000 0.535 226 R N -1.160 119.229 120.500 -0.185 0.000 2.294 226 R HA 0.225 4.573 4.340 0.014 0.000 0.319 226 R C 0.104 176.367 176.300 -0.063 0.000 0.984 226 R CA -0.625 55.353 56.100 -0.203 0.000 0.861 226 R CB 1.048 31.240 30.300 -0.180 0.000 1.104 226 R HN -0.092 nan 8.270 nan 0.000 0.451 227 Y N 1.411 121.717 120.300 0.010 0.000 2.274 227 Y HA -0.235 4.333 4.550 0.030 0.000 0.290 227 Y C 2.022 177.992 175.900 0.116 0.000 1.145 227 Y CA 1.727 59.888 58.100 0.102 0.000 1.203 227 Y CB -0.152 38.307 38.460 -0.002 0.000 0.984 227 Y HN 0.674 nan 8.280 nan 0.000 0.533 228 D N -1.885 118.613 120.400 0.163 0.000 2.350 228 D HA -0.110 4.538 4.640 0.014 0.000 0.216 228 D C 1.585 177.880 176.300 -0.008 0.000 0.968 228 D CA 1.313 55.358 54.000 0.075 0.000 0.894 228 D CB -0.938 39.880 40.800 0.029 0.000 0.909 228 D HN 0.196 nan 8.370 nan 0.000 0.520 229 T N -0.510 113.983 114.554 -0.102 0.000 2.857 229 T HA -0.081 4.277 4.350 0.014 0.000 0.266 229 T C 1.267 175.789 174.700 -0.298 0.000 1.048 229 T CA 0.942 62.838 62.100 -0.340 0.000 1.139 229 T CB -0.346 68.136 68.868 -0.643 0.000 0.874 229 T HN 0.241 nan 8.240 nan 0.000 0.455 230 Y N 0.491 120.808 120.300 0.029 0.000 2.269 230 Y HA 0.050 4.590 4.550 -0.017 0.000 0.294 230 Y C 2.505 178.453 175.900 0.080 0.000 1.120 230 Y CA 0.116 58.268 58.100 0.087 0.000 1.159 230 Y CB -0.712 37.814 38.460 0.110 0.000 1.024 230 Y HN -0.032 nan 8.280 nan 0.000 0.532 231 V N 0.509 120.544 119.914 0.201 0.000 2.237 231 V HA -0.297 3.831 4.120 0.014 0.000 0.245 231 V C 2.091 178.234 176.094 0.082 0.000 1.046 231 V CA 1.986 64.358 62.300 0.120 0.000 1.007 231 V CB -0.544 31.335 31.823 0.094 0.000 0.638 231 V HN 0.313 nan 8.190 nan 0.000 0.445 232 K N 0.217 120.649 120.400 0.054 0.000 2.280 232 K HA -0.104 4.224 4.320 0.014 0.000 0.202 232 K C 1.359 177.992 176.600 0.055 0.000 1.047 232 K CA 1.191 57.501 56.287 0.038 0.000 0.942 232 K CB -0.142 32.364 32.500 0.010 0.000 0.739 232 K HN 0.465 nan 8.250 nan 0.000 0.457 233 N N 0.498 119.241 118.700 0.072 0.000 2.187 233 N HA -0.040 4.708 4.740 0.014 0.000 0.212 233 N C -0.462 175.138 175.510 0.150 0.000 1.152 233 N CA 0.054 53.168 53.050 0.107 0.000 0.872 233 N CB 0.398 38.964 38.487 0.132 0.000 1.025 233 N HN 0.242 nan 8.380 nan 0.000 0.514 234 N N 1.475 120.272 118.700 0.162 0.000 2.727 234 N HA -0.235 4.513 4.740 0.014 0.000 0.249 234 N C -1.041 174.686 175.510 0.362 0.000 1.048 234 N CA 0.537 53.719 53.050 0.220 0.000 0.714 234 N CB -0.810 37.801 38.487 0.207 0.000 0.959 234 N HN 0.013 nan 8.380 nan 0.000 0.544 235 S N -1.422 114.487 115.700 0.347 0.000 3.587 235 S HA -0.198 4.280 4.470 0.014 0.000 0.337 235 S C 0.563 175.399 174.600 0.393 0.000 1.119 235 S CA 1.043 59.528 58.200 0.475 0.000 0.976 235 S CB -1.083 62.450 63.200 0.556 0.000 0.922 235 S HN 0.578 nan 8.310 nan 0.000 0.503 236 L N -1.012 120.369 121.223 0.263 0.000 3.229 236 L HA 0.261 4.609 4.340 0.014 0.000 0.286 236 L C 1.494 178.472 176.870 0.180 0.000 1.239 236 L CA -0.227 54.737 54.840 0.207 0.000 1.035 236 L CB -0.084 42.058 42.059 0.138 0.000 1.408 236 L HN 0.406 nan 8.230 nan 0.000 0.593 237 Y N 2.488 122.803 120.300 0.026 0.000 2.151 237 Y HA -0.189 4.360 4.550 -0.000 0.000 0.284 237 Y C 1.352 177.253 175.900 0.002 0.000 1.166 237 Y CA 1.490 59.572 58.100 -0.030 0.000 1.163 237 Y CB 0.211 38.578 38.460 -0.155 0.000 0.974 237 Y HN 0.468 nan 8.280 nan 0.000 0.511 238 N N -1.500 117.150 118.700 -0.083 0.000 2.577 238 N HA 0.127 4.876 4.740 0.014 0.000 0.285 238 N C -1.075 174.318 175.510 -0.194 0.000 1.309 238 N CA -0.192 52.751 53.050 -0.178 0.000 0.798 238 N CB 0.802 39.230 38.487 -0.098 0.000 1.463 238 N HN -0.062 nan 8.380 nan 0.000 0.518 239 T N 2.386 116.718 114.554 -0.369 0.000 2.792 239 T HA 0.166 4.525 4.350 0.014 0.000 0.286 239 T C -1.963 172.572 174.700 -0.275 0.000 0.970 239 T CA -0.267 61.471 62.100 -0.604 0.000 1.187 239 T CB 0.011 68.596 68.868 -0.471 0.000 0.915 239 T HN 0.483 nan 8.240 nan 0.000 0.529 240 P HA 0.306 nan 4.420 nan 0.000 0.278 240 P C -2.684 174.590 177.300 -0.043 0.000 1.266 240 P CA -2.097 61.000 63.100 -0.004 0.000 0.807 240 P CB 0.192 31.980 31.700 0.147 0.000 1.094 241 P HA 0.059 nan 4.420 nan 0.000 0.237 241 P C 1.171 178.488 177.300 0.029 0.000 1.788 241 P CA 0.186 63.299 63.100 0.020 0.000 1.061 241 P CB -0.166 31.557 31.700 0.038 0.000 1.967 242 S N 2.093 117.761 115.700 -0.053 0.000 2.401 242 S HA -0.247 4.231 4.470 0.014 0.000 0.236 242 S C 1.385 176.069 174.600 0.140 0.000 1.058 242 S CA 1.414 59.549 58.200 -0.109 0.000 1.151 242 S CB -0.807 62.196 63.200 -0.329 0.000 1.049 242 S HN 0.325 nan 8.310 nan 0.000 0.432 243 F N 1.813 121.756 119.950 -0.012 0.000 2.134 243 F HA 0.059 4.591 4.527 0.009 0.000 0.299 243 F C 2.271 178.153 175.800 0.137 0.000 1.097 243 F CA 1.465 59.509 58.000 0.073 0.000 1.264 243 F CB -1.057 37.958 39.000 0.024 0.000 1.001 243 F HN 0.285 nan 8.300 nan 0.000 0.479 244 G N 0.409 109.242 108.800 0.054 0.000 2.422 244 G HA2 -0.232 3.736 3.960 0.014 0.000 0.218 244 G HA3 -0.232 3.736 3.960 0.014 0.000 0.218 244 G C 1.801 176.595 174.900 -0.176 0.000 1.146 244 G CA 1.167 46.222 45.100 -0.075 0.000 0.769 244 G HN 0.460 nan 8.290 nan 0.000 0.547 245 I N -0.665 119.820 120.570 -0.141 0.000 2.439 245 I HA -0.087 4.091 4.170 0.014 0.000 0.251 245 I C 2.411 178.402 176.117 -0.209 0.000 1.139 245 I CA 0.828 61.950 61.300 -0.298 0.000 1.438 245 I CB -0.213 37.620 38.000 -0.278 0.000 1.085 245 I HN 0.268 nan 8.210 nan 0.000 0.427 246 Y N 1.323 121.508 120.300 -0.191 0.000 2.181 246 Y HA -0.248 4.309 4.550 0.011 0.000 0.288 246 Y C 2.447 178.184 175.900 -0.272 0.000 1.146 246 Y CA 1.633 59.607 58.100 -0.210 0.000 1.164 246 Y CB -0.112 38.215 38.460 -0.221 0.000 0.982 246 Y HN 0.007 nan 8.280 nan 0.000 0.515 247 M N -0.686 118.520 119.600 -0.656 0.000 2.319 247 M HA -0.108 4.380 4.480 0.014 0.000 0.265 247 M C 2.103 178.160 176.300 -0.405 0.000 1.068 247 M CA 0.838 55.755 55.300 -0.640 0.000 1.118 247 M CB -1.073 31.229 32.600 -0.497 0.000 1.395 247 M HN 0.261 nan 8.290 nan 0.000 0.435 248 V N 0.833 120.553 119.914 -0.322 0.000 2.427 248 V HA -0.229 3.899 4.120 0.014 0.000 0.248 248 V C 2.177 178.158 176.094 -0.187 0.000 1.051 248 V CA 1.781 63.946 62.300 -0.225 0.000 1.048 248 V CB -0.931 30.755 31.823 -0.228 0.000 0.666 248 V HN 0.439 nan 8.190 nan 0.000 0.456 249 N N 0.218 118.781 118.700 -0.229 0.000 2.188 249 N HA -0.168 4.581 4.740 0.014 0.000 0.184 249 N C 1.813 177.233 175.510 -0.149 0.000 1.018 249 N CA 1.208 54.163 53.050 -0.157 0.000 0.858 249 N CB -0.085 38.314 38.487 -0.146 0.000 0.989 249 N HN 0.359 nan 8.380 nan 0.000 0.426 250 E N -0.129 119.913 120.200 -0.263 0.000 2.106 250 E HA -0.067 4.291 4.350 0.014 0.000 0.192 250 E C 2.029 178.586 176.600 -0.072 0.000 0.984 250 E CA 0.624 56.904 56.400 -0.200 0.000 0.806 250 E CB -0.349 29.147 29.700 -0.341 0.000 0.750 250 E HN 0.237 nan 8.360 nan 0.000 0.458 251 V N 1.432 121.289 119.914 -0.095 0.000 2.427 251 V HA -0.198 3.930 4.120 0.014 0.000 0.248 251 V C 2.482 178.661 176.094 0.142 0.000 1.051 251 V CA 1.088 63.386 62.300 -0.003 0.000 1.048 251 V CB -0.509 31.265 31.823 -0.081 0.000 0.666 251 V HN 0.184 nan 8.190 nan 0.000 0.456 252 L N -0.425 120.833 121.223 0.058 0.000 2.056 252 L HA -0.175 4.173 4.340 0.014 0.000 0.207 252 L C 2.601 179.515 176.870 0.075 0.000 1.078 252 L CA 1.651 56.531 54.840 0.065 0.000 0.749 252 L CB -0.652 41.419 42.059 0.020 0.000 0.901 252 L HN 0.281 nan 8.230 nan 0.000 0.433 253 K N -0.764 119.676 120.400 0.066 0.000 2.057 253 K HA -0.253 4.075 4.320 0.014 0.000 0.207 253 K C 1.928 178.586 176.600 0.096 0.000 1.049 253 K CA 1.991 58.313 56.287 0.060 0.000 0.931 253 K CB -0.385 32.145 32.500 0.052 0.000 0.714 253 K HN 0.304 nan 8.250 nan 0.000 0.440 254 W N 2.025 123.302 121.300 -0.038 0.000 2.355 254 W HA -0.158 4.510 4.660 0.015 0.000 0.309 254 W C 1.584 178.092 176.519 -0.019 0.000 1.206 254 W CA 1.387 58.716 57.345 -0.027 0.000 1.284 254 W CB -0.191 29.250 29.460 -0.031 0.000 1.145 254 W HN -0.085 nan 8.180 nan 0.000 0.502 255 I N 0.479 121.117 120.570 0.113 0.000 2.335 255 I HA -0.312 3.867 4.170 0.014 0.000 0.251 255 I C 2.420 178.411 176.117 -0.211 0.000 1.129 255 I CA 1.904 63.131 61.300 -0.122 0.000 1.402 255 I CB -0.733 37.318 38.000 0.084 0.000 1.069 255 I HN 0.154 nan 8.210 nan 0.000 0.424 256 E N 1.101 121.229 120.200 -0.120 0.000 2.072 256 E HA -0.220 4.138 4.350 0.014 0.000 0.191 256 E C 1.960 178.462 176.600 -0.163 0.000 0.985 256 E CA 1.036 57.369 56.400 -0.111 0.000 0.801 256 E CB 0.108 29.773 29.700 -0.057 0.000 0.750 256 E HN 0.508 nan 8.360 nan 0.000 0.452 257 E N -0.068 120.004 120.200 -0.213 0.000 2.265 257 E HA -0.134 4.224 4.350 0.014 0.000 0.196 257 E C 1.705 178.117 176.600 -0.314 0.000 0.996 257 E CA 0.418 56.679 56.400 -0.230 0.000 0.832 257 E CB 0.111 29.676 29.700 -0.225 0.000 0.756 257 E HN 0.068 nan 8.360 nan 0.000 0.491 258 R N -0.232 119.991 120.500 -0.462 0.000 2.310 258 R HA 0.070 4.418 4.340 0.014 0.000 0.202 258 R C 1.026 177.174 176.300 -0.254 0.000 0.933 258 R CA 0.707 56.538 56.100 -0.447 0.000 1.054 258 R CB 0.478 30.353 30.300 -0.707 0.000 0.985 258 R HN 0.291 nan 8.270 nan 0.000 0.489 259 G N 0.259 108.942 108.800 -0.195 0.000 2.141 259 G HA2 -0.141 3.827 3.960 0.014 0.000 0.195 259 G HA3 -0.141 3.827 3.960 0.014 0.000 0.195 259 G C 0.538 175.375 174.900 -0.104 0.000 1.012 259 G CA 0.241 45.265 45.100 -0.126 0.000 0.696 259 G HN 0.677 nan 8.290 nan 0.000 0.508 260 G N -0.999 107.732 108.800 -0.116 0.000 2.645 260 G HA2 -0.156 3.812 3.960 0.014 0.000 0.246 260 G HA3 -0.156 3.812 3.960 0.014 0.000 0.246 260 G C 1.076 175.939 174.900 -0.062 0.000 1.322 260 G CA 0.135 45.187 45.100 -0.080 0.000 0.898 260 G HN 1.150 nan 8.290 nan 0.000 0.573 261 L N -0.127 121.075 121.223 -0.035 0.000 2.083 261 L HA -0.012 4.336 4.340 0.014 0.000 0.209 261 L C 2.738 179.609 176.870 0.001 0.000 1.083 261 L CA 2.173 57.011 54.840 -0.004 0.000 0.752 261 L CB -0.398 41.662 42.059 0.001 0.000 0.899 261 L HN 0.820 nan 8.230 nan 0.000 0.433 262 E N 0.154 120.345 120.200 -0.015 0.000 2.274 262 E HA -0.128 4.231 4.350 0.014 0.000 0.194 262 E C 2.105 178.693 176.600 -0.020 0.000 0.996 262 E CA 0.853 57.247 56.400 -0.010 0.000 0.840 262 E CB 0.064 29.754 29.700 -0.016 0.000 0.772 262 E HN 0.443 nan 8.360 nan 0.000 0.491 263 G N 0.586 109.361 108.800 -0.042 0.000 2.395 263 G HA2 -0.179 3.790 3.960 0.014 0.000 0.214 263 G HA3 -0.179 3.790 3.960 0.014 0.000 0.214 263 G C 1.627 176.495 174.900 -0.052 0.000 1.177 263 G CA 0.839 45.902 45.100 -0.062 0.000 0.794 263 G HN 0.294 nan 8.290 nan 0.000 0.532 264 V N -0.711 119.174 119.914 -0.049 0.000 2.626 264 V HA -0.157 3.971 4.120 0.014 0.000 0.252 264 V C 2.448 178.567 176.094 0.042 0.000 1.067 264 V CA 2.394 64.691 62.300 -0.005 0.000 1.081 264 V CB -0.644 31.197 31.823 0.030 0.000 0.686 264 V HN 0.472 nan 8.190 nan 0.000 0.468 265 Q N 1.462 121.284 119.800 0.037 0.000 2.016 265 Q HA -0.288 4.061 4.340 0.014 0.000 0.200 265 Q C 2.465 178.491 176.000 0.043 0.000 0.978 265 Q CA 2.442 58.277 55.803 0.054 0.000 0.833 265 Q CB -0.338 28.431 28.738 0.051 0.000 0.895 265 Q HN 0.915 nan 8.270 nan 0.000 0.427 266 Q N -0.734 119.077 119.800 0.019 0.000 2.224 266 Q HA -0.079 4.269 4.340 0.014 0.000 0.203 266 Q C 1.873 177.876 176.000 0.005 0.000 0.970 266 Q CA 1.176 56.984 55.803 0.009 0.000 0.865 266 Q CB -0.271 28.462 28.738 -0.009 0.000 0.922 266 Q HN 0.387 nan 8.270 nan 0.000 0.445 267 A N 1.975 124.800 122.820 0.007 0.000 1.872 267 A HA -0.146 4.182 4.320 0.014 0.000 0.214 267 A C 1.860 179.484 177.584 0.067 0.000 1.187 267 A CA 1.335 53.379 52.037 0.012 0.000 0.614 267 A CB -0.428 18.582 19.000 0.017 0.000 0.826 267 A HN 0.344 nan 8.150 nan 0.000 0.442 268 N N -0.440 118.313 118.700 0.089 0.000 2.309 268 N HA -0.132 4.616 4.740 0.014 0.000 0.182 268 N C 1.738 177.313 175.510 0.108 0.000 1.018 268 N CA 1.323 54.443 53.050 0.116 0.000 0.876 268 N CB -0.384 38.177 38.487 0.124 0.000 0.972 268 N HN 0.452 nan 8.380 nan 0.000 0.434 269 R N 1.560 122.111 120.500 0.086 0.000 2.148 269 R HA 0.091 4.439 4.340 0.014 0.000 0.223 269 R C 1.684 178.036 176.300 0.087 0.000 1.088 269 R CA 1.246 57.397 56.100 0.084 0.000 0.985 269 R CB 0.021 30.356 30.300 0.059 0.000 0.880 269 R HN 0.138 nan 8.270 nan 0.000 0.451 270 K N -0.126 120.316 120.400 0.071 0.000 2.076 270 K HA -0.016 4.312 4.320 0.014 0.000 0.204 270 K C 1.835 178.554 176.600 0.198 0.000 1.051 270 K CA 1.329 57.659 56.287 0.072 0.000 0.949 270 K CB 0.065 32.522 32.500 -0.072 0.000 0.726 270 K HN 0.112 nan 8.250 nan 0.000 0.443 271 K N 0.478 121.015 120.400 0.229 0.000 2.097 271 K HA -0.077 4.251 4.320 0.014 0.000 0.205 271 K C 2.179 178.845 176.600 0.110 0.000 1.050 271 K CA 1.232 57.668 56.287 0.249 0.000 0.938 271 K CB -0.073 32.557 32.500 0.216 0.000 0.718 271 K HN 0.086 nan 8.250 nan 0.000 0.442 272 A N 1.686 124.563 122.820 0.094 0.000 1.897 272 A HA -0.138 4.191 4.320 0.014 0.000 0.215 272 A C 2.236 179.883 177.584 0.105 0.000 1.181 272 A CA 1.861 53.926 52.037 0.046 0.000 0.620 272 A CB -0.561 18.536 19.000 0.161 0.000 0.821 272 A HN 0.369 nan 8.150 nan 0.000 0.443 273 S N -0.493 115.305 115.700 0.162 0.000 2.447 273 S HA -0.074 4.404 4.470 0.014 0.000 0.233 273 S C 1.760 176.423 174.600 0.105 0.000 1.006 273 S CA 1.239 59.539 58.200 0.168 0.000 0.957 273 S CB -0.438 62.835 63.200 0.121 0.000 0.773 273 S HN 0.364 nan 8.310 nan 0.000 0.507 274 L N 1.504 122.773 121.223 0.078 0.000 2.044 274 L HA 0.250 4.598 4.340 0.014 0.000 0.205 274 L C 2.216 179.046 176.870 -0.067 0.000 1.075 274 L CA 1.488 56.350 54.840 0.037 0.000 0.747 274 L CB -0.476 41.627 42.059 0.073 0.000 0.903 274 L HN 0.311 nan 8.230 nan 0.000 0.435 275 I N -1.813 118.665 120.570 -0.153 0.000 2.315 275 I HA -0.283 3.896 4.170 0.014 0.000 0.248 275 I C 2.070 177.985 176.117 -0.338 0.000 1.117 275 I CA 1.009 62.115 61.300 -0.324 0.000 1.404 275 I CB -0.380 37.357 38.000 -0.437 0.000 1.071 275 I HN 0.234 nan 8.210 nan 0.000 0.419 276 Y N 0.804 121.026 120.300 -0.131 0.000 2.293 276 Y HA -0.243 4.315 4.550 0.013 0.000 0.291 276 Y C 2.260 178.106 175.900 -0.089 0.000 1.137 276 Y CA 1.356 59.389 58.100 -0.112 0.000 1.202 276 Y CB -0.671 37.755 38.460 -0.057 0.000 0.990 276 Y HN 0.223 nan 8.280 nan 0.000 0.537 277 D N -0.502 119.945 120.400 0.078 0.000 2.117 277 D HA -0.151 4.497 4.640 0.014 0.000 0.197 277 D C 2.247 178.545 176.300 -0.003 0.000 0.987 277 D CA 1.246 55.270 54.000 0.040 0.000 0.829 277 D CB -0.122 40.697 40.800 0.032 0.000 0.961 277 D HN 0.217 nan 8.370 nan 0.000 0.460 278 A N -0.006 122.772 122.820 -0.070 0.000 1.902 278 A HA -0.116 4.212 4.320 0.014 0.000 0.217 278 A C 2.347 179.887 177.584 -0.073 0.000 1.181 278 A CA 1.104 53.075 52.037 -0.110 0.000 0.623 278 A CB -0.708 18.147 19.000 -0.241 0.000 0.818 278 A HN 0.366 nan 8.150 nan 0.000 0.443 279 I N -0.294 120.208 120.570 -0.114 0.000 2.286 279 I HA -0.175 4.004 4.170 0.014 0.000 0.245 279 I C 1.541 177.710 176.117 0.087 0.000 1.104 279 I CA 1.298 62.588 61.300 -0.018 0.000 1.397 279 I CB -0.335 37.622 38.000 -0.071 0.000 1.072 279 I HN 0.220 nan 8.210 nan 0.000 0.417 280 D N 0.431 120.871 120.400 0.067 0.000 2.269 280 D HA -0.136 4.513 4.640 0.014 0.000 0.208 280 D C 1.499 177.834 176.300 0.058 0.000 0.963 280 D CA 1.005 55.042 54.000 0.062 0.000 0.864 280 D CB -0.096 40.731 40.800 0.045 0.000 0.936 280 D HN 0.462 nan 8.370 nan 0.000 0.505 281 Q N -0.082 119.753 119.800 0.058 0.000 2.201 281 Q HA 0.105 4.454 4.340 0.014 0.000 0.217 281 Q C 0.948 176.992 176.000 0.073 0.000 0.860 281 Q CA -0.145 55.689 55.803 0.052 0.000 0.984 281 Q CB 0.561 29.319 28.738 0.034 0.000 1.095 281 Q HN 0.102 nan 8.270 nan 0.000 0.477 282 S N -1.434 114.337 115.700 0.118 0.000 2.556 282 S HA 0.197 4.676 4.470 0.014 0.000 0.216 282 S C 1.336 176.006 174.600 0.117 0.000 0.970 282 S CA 0.120 58.416 58.200 0.161 0.000 0.912 282 S CB 0.321 63.729 63.200 0.346 0.000 0.790 282 S HN 0.443 nan 8.310 nan 0.000 0.504 283 G N 0.987 109.837 108.800 0.083 0.000 2.356 283 G HA2 0.068 4.036 3.960 0.014 0.000 0.296 283 G HA3 0.068 4.036 3.960 0.014 0.000 0.296 283 G C 1.084 176.028 174.900 0.074 0.000 1.022 283 G CA 0.379 45.517 45.100 0.063 0.000 0.961 283 G HN 1.827 nan 8.290 nan 0.000 0.510 284 G N -1.726 107.124 108.800 0.083 0.000 2.217 284 G HA2 -0.265 3.703 3.960 0.014 0.000 0.246 284 G HA3 -0.265 3.703 3.960 0.014 0.000 0.246 284 G C 1.103 176.035 174.900 0.054 0.000 0.990 284 G CA 0.939 46.077 45.100 0.063 0.000 0.627 284 G HN 1.391 nan 8.290 nan 0.000 0.522 285 F N 0.895 120.787 119.950 -0.095 0.000 2.134 285 F HA 0.290 4.826 4.527 0.014 0.000 0.299 285 F C 1.024 176.619 175.800 -0.342 0.000 1.097 285 F CA 1.129 58.981 58.000 -0.247 0.000 1.264 285 F CB 0.043 38.827 39.000 -0.359 0.000 1.001 285 F HN 0.188 nan 8.300 nan 0.000 0.479 286 Y N 0.811 121.194 120.300 0.138 0.000 2.352 286 Y HA 0.542 5.100 4.550 0.014 0.000 0.339 286 Y C -0.240 175.686 175.900 0.044 0.000 0.992 286 Y CA -1.103 57.033 58.100 0.060 0.000 1.100 286 Y CB 1.060 39.552 38.460 0.054 0.000 1.192 286 Y HN -0.266 nan 8.280 nan 0.000 0.458 287 R N 1.435 122.051 120.500 0.192 0.000 2.534 287 R HA 0.555 4.903 4.340 0.014 0.000 0.301 287 R C 0.004 176.401 176.300 0.162 0.000 0.961 287 R CA -0.980 55.196 56.100 0.125 0.000 0.871 287 R CB 1.833 32.162 30.300 0.049 0.000 1.170 287 R HN 0.904 nan 8.270 nan 0.000 0.446 288 G N 0.684 109.568 108.800 0.139 0.000 2.406 288 G HA2 0.103 4.072 3.960 0.014 0.000 0.251 288 G HA3 0.103 4.072 3.960 0.014 0.000 0.251 288 G C 0.568 175.532 174.900 0.107 0.000 1.271 288 G CA -0.574 44.621 45.100 0.157 0.000 0.859 288 G HN 0.752 nan 8.290 nan 0.000 0.540 289 C N 1.447 120.816 119.300 0.115 0.000 2.576 289 C HA 0.271 4.739 4.460 0.014 0.000 0.267 289 C C 1.229 176.252 174.990 0.055 0.000 1.364 289 C CA 0.249 59.308 59.018 0.069 0.000 1.723 289 C CB -1.986 25.789 27.740 0.059 0.000 1.778 289 C HN 0.625 nan 8.230 nan 0.000 0.572 290 V N -2.052 117.895 119.914 0.055 0.000 3.102 290 V HA 0.508 4.636 4.120 0.014 0.000 0.312 290 V C -0.701 175.390 176.094 -0.006 0.000 1.135 290 V CA -0.824 61.490 62.300 0.024 0.000 1.022 290 V CB 1.462 33.299 31.823 0.023 0.000 1.056 290 V HN 0.205 nan 8.190 nan 0.000 0.436 291 D N 1.788 122.175 120.400 -0.023 0.000 2.424 291 D HA 0.033 4.681 4.640 0.014 0.000 0.244 291 D C 1.448 177.705 176.300 -0.072 0.000 1.134 291 D CA 0.466 54.443 54.000 -0.039 0.000 0.881 291 D CB 2.142 42.922 40.800 -0.034 0.000 1.191 291 D HN 1.051 nan 8.370 nan 0.000 0.445 292 V N 1.765 121.626 119.914 -0.089 0.000 2.370 292 V HA -0.301 3.827 4.120 0.014 0.000 0.252 292 V C 1.576 177.586 176.094 -0.139 0.000 1.068 292 V CA 2.263 64.478 62.300 -0.143 0.000 1.061 292 V CB -0.724 31.023 31.823 -0.126 0.000 0.656 292 V HN 0.533 nan 8.190 nan 0.000 0.455 293 D N 0.307 120.652 120.400 -0.092 0.000 2.312 293 D HA 0.006 4.655 4.640 0.014 0.000 0.211 293 D C 1.951 178.202 176.300 -0.082 0.000 0.964 293 D CA 1.261 55.214 54.000 -0.078 0.000 0.877 293 D CB -0.057 40.712 40.800 -0.052 0.000 0.924 293 D HN 0.612 nan 8.370 nan 0.000 0.515 294 S N -0.484 115.162 115.700 -0.089 0.000 2.540 294 S HA 0.172 4.650 4.470 0.014 0.000 0.218 294 S C 0.547 175.097 174.600 -0.084 0.000 0.977 294 S CA -0.372 57.768 58.200 -0.099 0.000 0.918 294 S CB 0.400 63.542 63.200 -0.096 0.000 0.806 294 S HN 0.144 nan 8.310 nan 0.000 0.496 295 R N 2.377 122.817 120.500 -0.100 0.000 2.538 295 R HA 0.145 4.493 4.340 0.014 0.000 0.282 295 R C 0.324 176.634 176.300 0.016 0.000 1.009 295 R CA 0.175 56.224 56.100 -0.086 0.000 1.063 295 R CB 0.320 30.411 30.300 -0.348 0.000 0.945 295 R HN 0.145 nan 8.270 nan 0.000 0.414 296 S N 0.964 116.739 115.700 0.124 0.000 2.554 296 S HA 0.089 4.568 4.470 0.014 0.000 0.278 296 S C 0.198 174.933 174.600 0.224 0.000 1.242 296 S CA -0.832 57.453 58.200 0.142 0.000 1.051 296 S CB 1.154 64.427 63.200 0.122 0.000 0.986 296 S HN 0.489 nan 8.310 nan 0.000 0.502 297 D N 3.020 123.523 120.400 0.171 0.000 2.350 297 D HA 0.162 4.810 4.640 0.014 0.000 0.213 297 D C 1.312 177.676 176.300 0.107 0.000 1.031 297 D CA 0.513 54.613 54.000 0.168 0.000 0.861 297 D CB 0.218 41.105 40.800 0.145 0.000 0.926 297 D HN 0.449 nan 8.370 nan 0.000 0.520 298 M N -0.312 119.348 119.600 0.100 0.000 2.556 298 M HA 0.122 4.610 4.480 0.014 0.000 0.264 298 M C -0.212 176.040 176.300 -0.079 0.000 1.163 298 M CA 0.754 56.084 55.300 0.049 0.000 1.186 298 M CB -0.370 32.339 32.600 0.182 0.000 1.321 298 M HN -0.180 nan 8.290 nan 0.000 0.485 299 N N 0.414 119.121 118.700 0.013 0.000 2.491 299 N HA 0.456 5.205 4.740 0.014 0.000 0.274 299 N C -1.178 174.365 175.510 0.054 0.000 1.023 299 N CA -0.115 52.938 53.050 0.005 0.000 0.902 299 N CB 2.051 40.575 38.487 0.063 0.000 1.267 299 N HN 0.059 nan 8.380 nan 0.000 0.503 300 I N 1.988 122.567 120.570 0.015 0.000 2.307 300 I HA 0.252 4.430 4.170 0.014 0.000 0.289 300 I C 0.139 176.347 176.117 0.152 0.000 1.021 300 I CA -0.563 60.753 61.300 0.027 0.000 1.224 300 I CB 0.841 38.689 38.000 -0.252 0.000 1.376 300 I HN 0.464 nan 8.210 nan 0.000 0.470 301 T N 3.990 118.656 114.554 0.187 0.000 2.794 301 T HA 0.753 5.112 4.350 0.014 0.000 0.280 301 T C -0.561 174.294 174.700 0.258 0.000 0.987 301 T CA -0.578 61.608 62.100 0.144 0.000 0.993 301 T CB 1.128 70.038 68.868 0.069 0.000 0.939 301 T HN 0.367 nan 8.240 nan 0.000 0.449 302 F N -0.539 119.367 119.950 -0.072 0.000 2.645 302 F HA 0.838 5.373 4.527 0.014 0.000 0.310 302 F C -0.796 174.940 175.800 -0.106 0.000 1.102 302 F CA -1.551 56.406 58.000 -0.071 0.000 0.952 302 F CB 1.526 40.471 39.000 -0.091 0.000 1.326 302 F HN 0.587 nan 8.300 nan 0.000 0.456 303 R N 1.166 121.674 120.500 0.013 0.000 2.912 303 R HA 0.805 5.153 4.340 0.014 0.000 0.262 303 R C -1.423 174.820 176.300 -0.096 0.000 1.057 303 R CA -1.170 54.855 56.100 -0.124 0.000 0.981 303 R CB 2.706 32.950 30.300 -0.093 0.000 1.201 303 R HN 0.703 nan 8.270 nan 0.000 0.484 304 L N 0.001 121.102 121.223 -0.203 0.000 2.298 304 L HA 0.447 4.796 4.340 0.014 0.000 0.268 304 L C 1.347 178.065 176.870 -0.252 0.000 1.010 304 L CA -0.528 54.118 54.840 -0.323 0.000 0.812 304 L CB 1.500 43.333 42.059 -0.376 0.000 1.331 304 L HN 0.808 nan 8.230 nan 0.000 0.450 305 A N 0.314 122.948 122.820 -0.309 0.000 1.948 305 A HA -0.095 4.233 4.320 0.014 0.000 0.220 305 A C 0.961 178.476 177.584 -0.114 0.000 1.177 305 A CA 1.923 53.851 52.037 -0.181 0.000 0.636 305 A CB -0.481 18.420 19.000 -0.166 0.000 0.815 305 A HN 0.744 nan 8.150 nan 0.000 0.449 306 S N -3.168 112.467 115.700 -0.109 0.000 2.661 306 S HA 0.497 4.975 4.470 0.014 0.000 0.285 306 S C 0.374 174.942 174.600 -0.053 0.000 1.138 306 S CA -0.135 58.028 58.200 -0.061 0.000 0.855 306 S CB 1.497 64.677 63.200 -0.032 0.000 1.136 306 S HN 0.226 nan 8.310 nan 0.000 0.484 307 E N 0.202 120.382 120.200 -0.034 0.000 2.106 307 E HA -0.152 4.206 4.350 0.014 0.000 0.192 307 E C 1.498 178.097 176.600 -0.002 0.000 0.984 307 E CA 1.212 57.596 56.400 -0.027 0.000 0.806 307 E CB -0.034 29.654 29.700 -0.021 0.000 0.750 307 E HN 0.740 nan 8.360 nan 0.000 0.458 308 E N 0.533 120.741 120.200 0.014 0.000 2.106 308 E HA -0.144 4.214 4.350 0.014 0.000 0.192 308 E C 1.942 178.593 176.600 0.085 0.000 0.984 308 E CA 0.476 56.902 56.400 0.044 0.000 0.806 308 E CB -0.274 29.451 29.700 0.041 0.000 0.750 308 E HN 0.141 nan 8.360 nan 0.000 0.458 309 L N 1.047 122.315 121.223 0.076 0.000 2.093 309 L HA -0.070 4.279 4.340 0.014 0.000 0.208 309 L C 1.875 178.848 176.870 0.171 0.000 1.085 309 L CA 1.829 56.761 54.840 0.152 0.000 0.755 309 L CB -0.528 41.563 42.059 0.054 0.000 0.904 309 L HN 0.192 nan 8.230 nan 0.000 0.435 310 E N -1.141 119.083 120.200 0.040 0.000 2.208 310 E HA -0.226 4.132 4.350 0.014 0.000 0.193 310 E C 2.070 178.711 176.600 0.069 0.000 0.988 310 E CA 0.734 57.128 56.400 -0.010 0.000 0.828 310 E CB 0.002 29.641 29.700 -0.103 0.000 0.763 310 E HN 0.369 nan 8.360 nan 0.000 0.478 311 K N 1.026 121.476 120.400 0.082 0.000 2.103 311 K HA -0.136 4.193 4.320 0.014 0.000 0.204 311 K C 1.792 178.483 176.600 0.152 0.000 1.052 311 K CA 0.990 57.331 56.287 0.091 0.000 0.945 311 K CB 0.192 32.733 32.500 0.068 0.000 0.722 311 K HN 0.064 nan 8.250 nan 0.000 0.443 312 E N -0.433 119.902 120.200 0.225 0.000 2.106 312 E HA -0.175 4.184 4.350 0.014 0.000 0.192 312 E C 1.724 178.551 176.600 0.378 0.000 0.984 312 E CA 0.821 57.419 56.400 0.329 0.000 0.806 312 E CB -0.080 29.880 29.700 0.433 0.000 0.750 312 E HN 0.250 nan 8.360 nan 0.000 0.458 313 F N 1.195 121.169 119.950 0.038 0.000 2.075 313 F HA -0.246 4.289 4.527 0.013 0.000 0.297 313 F C 2.185 177.953 175.800 -0.053 0.000 1.113 313 F CA 1.177 58.979 58.000 -0.329 0.000 1.218 313 F CB -0.231 38.516 39.000 -0.421 0.000 0.984 313 F HN -0.209 nan 8.300 nan 0.000 0.472 314 V N 0.541 120.579 119.914 0.207 0.000 2.255 314 V HA -0.370 3.758 4.120 0.014 0.000 0.247 314 V C 2.436 178.560 176.094 0.049 0.000 1.051 314 V CA 2.424 64.786 62.300 0.104 0.000 1.018 314 V CB -0.793 31.082 31.823 0.087 0.000 0.641 314 V HN 0.279 nan 8.190 nan 0.000 0.445 315 K N -0.204 120.250 120.400 0.091 0.000 2.009 315 K HA -0.185 4.144 4.320 0.014 0.000 0.210 315 K C 2.283 178.946 176.600 0.104 0.000 1.049 315 K CA 1.621 57.964 56.287 0.093 0.000 0.929 315 K CB -0.462 32.107 32.500 0.114 0.000 0.714 315 K HN 0.441 nan 8.250 nan 0.000 0.440 316 A N 0.818 123.741 122.820 0.173 0.000 1.908 316 A HA -0.216 4.113 4.320 0.014 0.000 0.218 316 A C 2.120 179.789 177.584 0.141 0.000 1.181 316 A CA 2.437 54.633 52.037 0.265 0.000 0.627 316 A CB -0.909 18.392 19.000 0.500 0.000 0.818 316 A HN 0.546 nan 8.150 nan 0.000 0.445 317 S N -0.195 115.400 115.700 -0.176 0.000 2.382 317 S HA -0.198 4.280 4.470 0.014 0.000 0.228 317 S C 1.687 176.241 174.600 -0.078 0.000 1.027 317 S CA 1.488 59.310 58.200 -0.629 0.000 0.991 317 S CB -0.479 62.171 63.200 -0.917 0.000 0.823 317 S HN 0.673 nan 8.310 nan 0.000 0.469 318 E N 1.252 121.445 120.200 -0.011 0.000 2.072 318 E HA -0.114 4.244 4.350 0.014 0.000 0.191 318 E C 2.431 179.055 176.600 0.040 0.000 0.985 318 E CA 1.222 57.647 56.400 0.041 0.000 0.801 318 E CB -0.216 29.507 29.700 0.039 0.000 0.750 318 E HN 0.693 nan 8.360 nan 0.000 0.452 319 Q N 0.435 120.268 119.800 0.055 0.000 2.291 319 Q HA -0.129 4.220 4.340 0.014 0.000 0.206 319 Q C 0.929 176.969 176.000 0.066 0.000 0.976 319 Q CA 0.856 56.696 55.803 0.063 0.000 0.875 319 Q CB 0.120 28.912 28.738 0.089 0.000 0.927 319 Q HN 0.278 nan 8.270 nan 0.000 0.450 320 E N -1.027 119.223 120.200 0.084 0.000 2.451 320 E HA 0.147 4.505 4.350 0.014 0.000 0.194 320 E C 0.485 177.073 176.600 -0.019 0.000 1.027 320 E CA 0.202 56.660 56.400 0.095 0.000 0.914 320 E CB 0.858 30.694 29.700 0.228 0.000 1.054 320 E HN 0.451 nan 8.360 nan 0.000 0.461 321 G N 1.126 109.891 108.800 -0.059 0.000 2.175 321 G HA2 -0.276 3.692 3.960 0.014 0.000 0.244 321 G HA3 -0.276 3.692 3.960 0.014 0.000 0.244 321 G C -0.025 174.766 174.900 -0.182 0.000 0.982 321 G CA -0.382 44.612 45.100 -0.176 0.000 0.641 321 G HN 0.211 nan 8.290 nan 0.000 0.527 322 F N 0.758 120.732 119.950 0.040 0.000 2.427 322 F HA 0.575 5.110 4.527 0.013 0.000 0.352 322 F C 0.739 176.578 175.800 0.066 0.000 1.100 322 F CA -0.503 57.552 58.000 0.093 0.000 1.191 322 F CB 1.690 40.632 39.000 -0.096 0.000 1.128 322 F HN 0.006 nan 8.300 nan 0.000 0.533 323 V N 1.772 121.879 119.914 0.321 0.000 2.604 323 V HA 0.675 4.803 4.120 0.014 0.000 0.305 323 V C 0.461 176.705 176.094 0.249 0.000 1.043 323 V CA -0.589 61.832 62.300 0.201 0.000 0.888 323 V CB 1.078 32.966 31.823 0.108 0.000 0.995 323 V HN 0.977 nan 8.190 nan 0.000 0.429 324 G N 3.096 112.000 108.800 0.172 0.000 2.143 324 G HA2 -0.222 3.747 3.960 0.014 0.000 0.249 324 G HA3 -0.222 3.747 3.960 0.014 0.000 0.249 324 G C 0.497 175.483 174.900 0.145 0.000 0.981 324 G CA 0.443 45.641 45.100 0.163 0.000 0.665 324 G HN 0.667 nan 8.290 nan 0.000 0.528 325 L N -0.492 120.798 121.223 0.112 0.000 2.395 325 L HA 0.144 4.493 4.340 0.014 0.000 0.218 325 L C 1.711 178.569 176.870 -0.020 0.000 1.130 325 L CA 0.855 55.713 54.840 0.031 0.000 0.826 325 L CB -0.124 41.945 42.059 0.017 0.000 0.941 325 L HN 0.187 nan 8.230 nan 0.000 0.451 326 K N 2.315 122.720 120.400 0.009 0.000 2.395 326 K HA 0.091 4.419 4.320 0.014 0.000 0.283 326 K C 0.490 177.068 176.600 -0.037 0.000 1.068 326 K CA 0.067 56.342 56.287 -0.021 0.000 1.039 326 K CB 0.156 32.656 32.500 0.000 0.000 0.924 326 K HN 0.092 nan 8.250 nan 0.000 0.468 327 G N 3.721 112.467 108.800 -0.090 0.000 2.559 327 G HA2 -0.079 3.890 3.960 0.014 0.000 0.235 327 G HA3 -0.079 3.890 3.960 0.014 0.000 0.235 327 G C -0.588 174.304 174.900 -0.013 0.000 1.266 327 G CA -0.418 44.644 45.100 -0.064 0.000 0.847 327 G HN 0.839 nan 8.290 nan 0.000 0.583 328 H N 1.760 120.815 119.070 -0.024 0.000 3.125 328 H HA -0.024 4.540 4.556 0.013 0.000 0.310 328 H C 1.853 177.167 175.328 -0.024 0.000 0.980 328 H CA 0.427 56.470 56.048 -0.008 0.000 1.422 328 H CB 0.519 30.283 29.762 0.003 0.000 1.432 328 H HN 0.692 nan 8.280 nan 0.000 0.577 329 R N 2.247 122.411 120.500 -0.560 0.000 2.189 329 R HA -0.274 4.075 4.340 0.014 0.000 0.252 329 R C 2.400 178.643 176.300 -0.094 0.000 1.134 329 R CA 2.482 58.395 56.100 -0.312 0.000 0.954 329 R CB -0.595 29.478 30.300 -0.380 0.000 0.890 329 R HN 0.679 nan 8.270 nan 0.000 0.443 330 S N 0.020 115.759 115.700 0.065 0.000 2.402 330 S HA -0.046 4.432 4.470 0.014 0.000 0.229 330 S C 2.036 176.691 174.600 0.092 0.000 1.021 330 S CA 1.239 59.516 58.200 0.129 0.000 0.974 330 S CB -0.034 63.277 63.200 0.185 0.000 0.800 330 S HN 0.154 nan 8.310 nan 0.000 0.484 331 V N 0.972 120.958 119.914 0.120 0.000 2.795 331 V HA 0.417 4.545 4.120 0.014 0.000 0.243 331 V C 1.593 177.695 176.094 0.013 0.000 1.069 331 V CA 0.753 63.086 62.300 0.056 0.000 1.089 331 V CB -0.951 30.905 31.823 0.056 0.000 0.756 331 V HN 0.914 nan 8.190 nan 0.000 0.471 332 G N -0.576 108.222 108.800 -0.003 0.000 2.660 332 G HA2 0.343 4.311 3.960 0.014 0.000 0.215 332 G HA3 0.343 4.311 3.960 0.014 0.000 0.215 332 G C 0.490 175.338 174.900 -0.085 0.000 1.345 332 G CA -0.497 44.575 45.100 -0.047 0.000 0.877 332 G HN 1.706 nan 8.290 nan 0.000 0.549 333 G N -1.821 106.902 108.800 -0.129 0.000 2.562 333 G HA2 0.198 4.167 3.960 0.014 0.000 0.250 333 G HA3 0.198 4.167 3.960 0.014 0.000 0.250 333 G C -0.097 174.612 174.900 -0.320 0.000 1.269 333 G CA 0.610 45.575 45.100 -0.225 0.000 0.919 333 G HN 1.787 nan 8.290 nan 0.000 0.574 334 L N -0.278 120.615 121.223 -0.551 0.000 2.354 334 L HA 0.850 5.199 4.340 0.014 0.000 0.264 334 L C 0.331 176.846 176.870 -0.592 0.000 1.008 334 L CA -0.846 53.569 54.840 -0.709 0.000 0.819 334 L CB 2.405 43.666 42.059 -1.330 0.000 1.339 334 L HN 0.846 nan 8.230 nan 0.000 0.420 335 R N 1.671 121.988 120.500 -0.305 0.000 2.515 335 R HA 0.745 5.094 4.340 0.014 0.000 0.291 335 R C -1.533 174.762 176.300 -0.009 0.000 1.046 335 R CA -0.463 55.583 56.100 -0.090 0.000 0.914 335 R CB 1.887 32.180 30.300 -0.012 0.000 1.191 335 R HN 0.764 nan 8.270 nan 0.000 0.435 336 A N 3.209 126.056 122.820 0.045 0.000 2.341 336 A HA 0.399 4.728 4.320 0.014 0.000 0.326 336 A C -0.667 176.948 177.584 0.052 0.000 1.402 336 A CA -0.466 51.564 52.037 -0.012 0.000 0.957 336 A CB 1.025 19.927 19.000 -0.165 0.000 1.151 336 A HN 0.636 nan 8.150 nan 0.000 0.533 337 S N 2.371 118.134 115.700 0.106 0.000 2.411 337 S HA 0.396 4.875 4.470 0.014 0.000 0.294 337 S C 0.412 174.922 174.600 -0.150 0.000 1.115 337 S CA -0.329 57.767 58.200 -0.174 0.000 1.071 337 S CB -0.005 63.020 63.200 -0.292 0.000 0.967 337 S HN 0.718 nan 8.310 nan 0.000 0.488 338 I N 0.486 120.923 120.570 -0.220 0.000 3.010 338 I HA 0.429 4.607 4.170 0.014 0.000 0.330 338 I C -0.827 175.252 176.117 -0.064 0.000 1.334 338 I CA -0.893 60.366 61.300 -0.068 0.000 0.945 338 I CB -0.339 37.703 38.000 0.071 0.000 2.027 338 I HN 0.304 nan 8.210 nan 0.000 0.564 339 Y N 1.220 121.567 120.300 0.079 0.000 2.379 339 Y HA 0.058 4.619 4.550 0.018 0.000 0.354 339 Y C 1.842 177.791 175.900 0.082 0.000 1.269 339 Y CA 0.216 58.356 58.100 0.067 0.000 1.532 339 Y CB -0.066 38.414 38.460 0.033 0.000 1.371 339 Y HN 0.320 nan 8.280 nan 0.000 0.666 340 N N 0.613 119.492 118.700 0.299 0.000 2.073 340 N HA -0.264 4.485 4.740 0.014 0.000 0.199 340 N C 1.592 177.281 175.510 0.299 0.000 1.023 340 N CA 2.077 55.306 53.050 0.298 0.000 0.880 340 N CB -0.712 37.979 38.487 0.339 0.000 1.052 340 N HN 0.717 nan 8.380 nan 0.000 0.449 341 A N 0.163 123.037 122.820 0.090 0.000 2.235 341 A HA 0.134 4.463 4.320 0.014 0.000 0.208 341 A C 0.460 178.037 177.584 -0.012 0.000 1.172 341 A CA 0.014 51.991 52.037 -0.101 0.000 0.786 341 A CB 0.053 18.856 19.000 -0.330 0.000 0.804 341 A HN 0.051 nan 8.150 nan 0.000 0.479 342 V N 2.382 122.323 119.914 0.045 0.000 2.405 342 V HA 0.167 4.296 4.120 0.014 0.000 0.264 342 V C -2.259 173.865 176.094 0.050 0.000 1.048 342 V CA -1.525 60.759 62.300 -0.026 0.000 0.966 342 V CB 0.706 32.475 31.823 -0.090 0.000 1.015 342 V HN 0.230 nan 8.190 nan 0.000 0.477 343 P HA -0.022 nan 4.420 nan 0.000 0.268 343 P C 0.291 177.678 177.300 0.146 0.000 1.208 343 P CA 0.010 63.183 63.100 0.121 0.000 0.777 343 P CB 0.432 32.189 31.700 0.095 0.000 0.875 344 Y N 2.172 122.518 120.300 0.077 0.000 2.333 344 Y HA -0.179 4.379 4.550 0.014 0.000 0.290 344 Y C 1.732 177.674 175.900 0.071 0.000 1.144 344 Y CA 1.690 59.833 58.100 0.071 0.000 1.228 344 Y CB -0.273 38.223 38.460 0.061 0.000 0.985 344 Y HN 0.420 nan 8.280 nan 0.000 0.542 345 E N -0.918 119.294 120.200 0.019 0.000 2.106 345 E HA -0.150 4.209 4.350 0.014 0.000 0.192 345 E C 2.257 178.819 176.600 -0.064 0.000 0.984 345 E CA 1.201 57.578 56.400 -0.037 0.000 0.806 345 E CB -0.107 29.642 29.700 0.081 0.000 0.750 345 E HN 0.364 nan 8.360 nan 0.000 0.458 346 S N 0.271 115.977 115.700 0.011 0.000 2.402 346 S HA -0.133 4.345 4.470 0.014 0.000 0.229 346 S C 2.072 176.785 174.600 0.187 0.000 1.021 346 S CA 0.660 58.884 58.200 0.039 0.000 0.974 346 S CB -0.128 63.057 63.200 -0.026 0.000 0.800 346 S HN 0.387 nan 8.310 nan 0.000 0.484 347 C N 1.453 120.809 119.300 0.093 0.000 2.457 347 C HA 0.080 4.548 4.460 0.014 0.000 0.278 347 C C 2.713 177.608 174.990 -0.159 0.000 1.309 347 C CA 0.082 59.126 59.018 0.043 0.000 1.735 347 C CB -0.957 26.754 27.740 -0.048 0.000 1.992 347 C HN 0.535 nan 8.230 nan 0.000 0.493 348 E N 1.139 121.149 120.200 -0.316 0.000 2.077 348 E HA -0.149 4.209 4.350 0.014 0.000 0.193 348 E C 2.390 178.897 176.600 -0.156 0.000 0.989 348 E CA 1.580 57.801 56.400 -0.299 0.000 0.800 348 E CB -0.425 29.078 29.700 -0.328 0.000 0.746 348 E HN 0.637 nan 8.360 nan 0.000 0.452 349 A N 0.998 123.727 122.820 -0.152 0.000 1.930 349 A HA -0.150 4.178 4.320 0.014 0.000 0.217 349 A C 2.202 179.849 177.584 0.106 0.000 1.175 349 A CA 1.050 53.014 52.037 -0.122 0.000 0.627 349 A CB -0.461 18.157 19.000 -0.637 0.000 0.815 349 A HN 0.232 nan 8.150 nan 0.000 0.443 350 L N -0.235 121.021 121.223 0.055 0.000 2.056 350 L HA -0.057 4.292 4.340 0.014 0.000 0.207 350 L C 2.332 179.098 176.870 -0.173 0.000 1.078 350 L CA 1.685 56.416 54.840 -0.181 0.000 0.749 350 L CB -0.446 41.406 42.059 -0.345 0.000 0.901 350 L HN 0.133 nan 8.230 nan 0.000 0.433 351 V N -0.434 119.380 119.914 -0.166 0.000 2.407 351 V HA -0.303 3.825 4.120 0.014 0.000 0.248 351 V C 2.510 178.501 176.094 -0.172 0.000 1.055 351 V CA 1.918 64.108 62.300 -0.184 0.000 1.049 351 V CB -0.597 31.126 31.823 -0.167 0.000 0.662 351 V HN 0.563 nan 8.190 nan 0.000 0.455 352 Q N -1.150 118.558 119.800 -0.154 0.000 2.049 352 Q HA -0.161 4.187 4.340 0.014 0.000 0.198 352 Q C 2.150 177.890 176.000 -0.432 0.000 0.971 352 Q CA 1.855 57.478 55.803 -0.300 0.000 0.833 352 Q CB -0.275 28.380 28.738 -0.138 0.000 0.896 352 Q HN 0.659 nan 8.270 nan 0.000 0.434 353 F N 1.150 120.974 119.950 -0.210 0.000 2.095 353 F HA -0.222 4.314 4.527 0.015 0.000 0.298 353 F C 2.025 177.778 175.800 -0.078 0.000 1.104 353 F CA 1.519 59.463 58.000 -0.093 0.000 1.232 353 F CB -0.088 38.784 39.000 -0.213 0.000 0.987 353 F HN -0.010 nan 8.300 nan 0.000 0.475 354 M N 0.298 119.825 119.600 -0.121 0.000 2.159 354 M HA -0.219 4.270 4.480 0.014 0.000 0.263 354 M C 2.259 178.609 176.300 0.083 0.000 1.063 354 M CA 2.229 57.541 55.300 0.019 0.000 1.110 354 M CB -0.636 31.867 32.600 -0.161 0.000 1.374 354 M HN 0.430 nan 8.290 nan 0.000 0.411 355 E N -0.281 119.853 120.200 -0.110 0.000 2.107 355 E HA -0.195 4.164 4.350 0.014 0.000 0.191 355 E C 1.458 178.009 176.600 -0.082 0.000 0.982 355 E CA 1.342 57.685 56.400 -0.095 0.000 0.809 355 E CB -0.355 29.245 29.700 -0.167 0.000 0.756 355 E HN 0.636 nan 8.360 nan 0.000 0.459 356 H N -0.819 118.206 119.070 -0.076 0.000 2.363 356 H HA -0.039 4.526 4.556 0.014 0.000 0.301 356 H C 1.829 177.061 175.328 -0.160 0.000 1.074 356 H CA 1.203 57.186 56.048 -0.109 0.000 1.354 356 H CB -0.150 29.558 29.762 -0.089 0.000 1.397 356 H HN 0.191 nan 8.280 nan 0.000 0.516 357 F N 2.278 122.067 119.950 -0.268 0.000 2.126 357 F HA -0.196 4.340 4.527 0.015 0.000 0.299 357 F C 2.429 178.136 175.800 -0.154 0.000 1.096 357 F CA 1.475 59.315 58.000 -0.267 0.000 1.255 357 F CB -0.048 38.676 39.000 -0.460 0.000 0.997 357 F HN -0.099 nan 8.300 nan 0.000 0.479 358 K N 0.336 120.700 120.400 -0.060 0.000 2.009 358 K HA -0.264 4.065 4.320 0.014 0.000 0.210 358 K C 2.462 178.734 176.600 -0.546 0.000 1.049 358 K CA 1.767 57.664 56.287 -0.651 0.000 0.929 358 K CB -0.360 31.775 32.500 -0.609 0.000 0.714 358 K HN 0.226 nan 8.250 nan 0.000 0.440 359 R N 0.447 120.771 120.500 -0.294 0.000 2.148 359 R HA -0.071 4.277 4.340 0.014 0.000 0.227 359 R C 2.174 178.352 176.300 -0.204 0.000 1.103 359 R CA 1.673 57.647 56.100 -0.210 0.000 0.983 359 R CB -0.076 30.161 30.300 -0.105 0.000 0.874 359 R HN 0.326 nan 8.270 nan 0.000 0.451 360 S N -0.914 114.641 115.700 -0.242 0.000 2.522 360 S HA 0.037 4.516 4.470 0.014 0.000 0.227 360 S C 1.478 175.914 174.600 -0.274 0.000 0.986 360 S CA 0.273 58.333 58.200 -0.234 0.000 0.929 360 S CB 0.254 63.312 63.200 -0.236 0.000 0.769 360 S HN 0.159 nan 8.310 nan 0.000 0.529 361 R N 0.905 121.201 120.500 -0.340 0.000 2.397 361 R HA 0.487 4.835 4.340 0.014 0.000 0.241 361 R C 0.854 177.068 176.300 -0.143 0.000 0.914 361 R CA 0.311 56.264 56.100 -0.244 0.000 1.071 361 R CB 0.637 30.797 30.300 -0.233 0.000 1.116 361 R HN 0.489 nan 8.270 nan 0.000 0.524 362 G N 0.000 108.691 108.800 -0.181 0.000 5.446 362 G HA2 0.000 3.968 3.960 0.014 0.000 0.244 362 G HA3 0.000 3.968 3.960 0.014 0.000 0.244 362 G CA 0.000 45.023 45.100 -0.128 0.000 0.502 362 G HN 0.000 nan 8.290 nan 0.000 0.925