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 3log_1_A DATA FIRST_RESID 15 DATA SEQUENCE SSSIPMPAGV NPADLAAELA AVVTESVDED YLLYECDGQW VLAAGVQAMV DATA SEQUENCE ELDSDELRVI RDGVTRRQQW SGRPGAALGE AVDRLLLETD QAFGWVAFEF DATA SEQUENCE GVHRYGLQQR LAPHTPLARV FSPRTRIMVS EKEIRLFDAG IRHREAIDRL DATA SEQUENCE LATGVREVPQ SRSVDVSDDP SGFRRRVAVA VDEIAAGRYH KVILSRCVEV DATA SEQUENCE PFAIDFPLTY RLGRRHNTPV RSFLLQLGGI RALGYSPELV TAVRADGVVI DATA SEQUENCE TEPLAGTRAL GRGPAIDRLA RDDLESNSKE IVEHAISVRS SLEEITDIAE DATA SEQUENCE PGSAAVIDFM TVRERGSVQH LGSTIRARLD PSSDRMAALE ALFPAVTASG DATA SEQUENCE IPKAAGVEAI FRLDECPRGL YSGAVVMLSA DGGLDAALTL RAAYQVGGRT DATA SEQUENCE WLRAGAGIIE ESEPEREFEE TCEKLSTLTP YLVAR 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 15 S HA 0.000 nan 4.470 nan 0.000 0.327 15 S C 0.000 174.414 174.600 -0.311 0.000 1.055 15 S CA 0.000 57.951 58.200 -0.414 0.000 1.107 15 S CB 0.000 62.935 63.200 -0.441 0.000 0.593 16 S N 2.035 117.582 115.700 -0.255 0.000 2.767 16 S HA 0.920 5.396 4.470 0.010 0.000 0.300 16 S C -0.091 174.415 174.600 -0.156 0.000 1.123 16 S CA -0.308 57.796 58.200 -0.160 0.000 0.992 16 S CB 1.856 64.999 63.200 -0.094 0.000 1.138 16 S HN 1.205 nan 8.310 nan 0.000 0.550 17 S N -0.371 115.277 115.700 -0.088 0.000 2.541 17 S HA 0.679 5.155 4.470 0.010 0.000 0.271 17 S C -1.484 173.099 174.600 -0.028 0.000 1.133 17 S CA -0.913 57.253 58.200 -0.055 0.000 0.876 17 S CB 0.641 63.814 63.200 -0.045 0.000 1.105 17 S HN 0.725 nan 8.310 nan 0.000 0.470 18 I N 3.587 124.150 120.570 -0.011 0.000 2.545 18 I HA 0.437 4.613 4.170 0.010 0.000 0.292 18 I C -2.452 173.666 176.117 0.002 0.000 1.040 18 I CA -2.674 58.623 61.300 -0.005 0.000 1.068 18 I CB 2.478 40.477 38.000 -0.002 0.000 1.251 18 I HN 0.446 nan 8.210 nan 0.000 0.424 19 P HA 0.101 nan 4.420 nan 0.000 0.271 19 P C -0.643 176.658 177.300 0.002 0.000 1.233 19 P CA -0.415 62.687 63.100 0.003 0.000 0.789 19 P CB 0.509 32.209 31.700 -0.000 0.000 0.951 20 M N 3.440 123.041 119.600 0.002 0.000 2.144 20 M HA 0.349 4.836 4.480 0.010 0.000 0.356 20 M C -2.214 174.079 176.300 -0.012 0.000 1.217 20 M CA -2.427 52.870 55.300 -0.005 0.000 1.087 20 M CB 0.205 32.803 32.600 -0.004 0.000 1.609 20 M HN 0.174 nan 8.290 nan 0.000 0.467 21 P HA 0.105 nan 4.420 nan 0.000 0.270 21 P C -0.520 176.767 177.300 -0.022 0.000 1.227 21 P CA -0.011 63.078 63.100 -0.019 0.000 0.788 21 P CB 0.296 31.983 31.700 -0.023 0.000 0.926 22 A N 1.580 124.388 122.820 -0.020 0.000 1.874 22 A HA 0.072 4.398 4.320 0.010 0.000 0.214 22 A C 2.169 179.737 177.584 -0.026 0.000 1.189 22 A CA 1.520 53.545 52.037 -0.020 0.000 0.615 22 A CB -1.521 17.470 19.000 -0.016 0.000 0.830 22 A HN 0.633 nan 8.150 nan 0.000 0.443 23 G N -0.924 107.859 108.800 -0.028 0.000 2.708 23 G HA2 0.283 4.250 3.960 0.010 0.000 0.210 23 G HA3 0.283 4.250 3.960 0.010 0.000 0.210 23 G C 0.190 175.064 174.900 -0.044 0.000 1.141 23 G CA 0.876 45.956 45.100 -0.033 0.000 0.788 23 G HN 0.299 nan 8.290 nan 0.000 0.531 24 V N 0.437 120.321 119.914 -0.050 0.000 2.487 24 V HA 0.269 4.395 4.120 0.010 0.000 0.298 24 V C -0.442 175.596 176.094 -0.093 0.000 1.028 24 V CA -1.415 60.845 62.300 -0.067 0.000 0.860 24 V CB 1.668 33.455 31.823 -0.061 0.000 0.991 24 V HN 0.254 nan 8.190 nan 0.000 0.427 25 N N 6.941 125.568 118.700 -0.122 0.000 2.488 25 N HA 0.307 5.053 4.740 0.010 0.000 0.274 25 N C -1.317 174.024 175.510 -0.282 0.000 1.111 25 N CA -1.463 51.479 53.050 -0.179 0.000 0.974 25 N CB 1.603 39.986 38.487 -0.173 0.000 1.089 25 N HN 0.258 nan 8.380 nan 0.000 0.465 26 P HA -0.210 nan 4.420 nan 0.000 0.216 26 P C 0.705 177.430 177.300 -0.959 0.000 1.150 26 P CA 1.530 64.297 63.100 -0.556 0.000 0.843 26 P CB -0.072 31.294 31.700 -0.557 0.000 0.787 27 A N 0.233 122.290 122.820 -1.272 0.000 1.902 27 A HA -0.199 4.127 4.320 0.010 0.000 0.217 27 A C 2.105 179.495 177.584 -0.325 0.000 1.181 27 A CA 1.961 53.404 52.037 -0.991 0.000 0.623 27 A CB -1.202 17.573 19.000 -0.376 0.000 0.818 27 A HN 0.097 nan 8.150 nan 0.000 0.443 28 D N -0.561 119.687 120.400 -0.254 0.000 2.123 28 D HA -0.098 4.549 4.640 0.010 0.000 0.200 28 D C 1.869 178.104 176.300 -0.108 0.000 0.976 28 D CA 1.223 55.154 54.000 -0.114 0.000 0.831 28 D CB -0.276 40.460 40.800 -0.107 0.000 0.974 28 D HN 0.353 nan 8.370 nan 0.000 0.469 29 L N 1.038 122.167 121.223 -0.158 0.000 2.093 29 L HA 0.002 4.348 4.340 0.010 0.000 0.208 29 L C 2.128 178.940 176.870 -0.097 0.000 1.085 29 L CA 1.444 56.218 54.840 -0.111 0.000 0.755 29 L CB -0.649 41.348 42.059 -0.104 0.000 0.904 29 L HN -0.081 nan 8.230 nan 0.000 0.435 30 A N -0.473 122.263 122.820 -0.140 0.000 1.898 30 A HA -0.054 4.273 4.320 0.010 0.000 0.216 30 A C 2.444 179.989 177.584 -0.065 0.000 1.181 30 A CA 1.662 53.655 52.037 -0.073 0.000 0.620 30 A CB -1.127 17.849 19.000 -0.039 0.000 0.819 30 A HN 0.534 nan 8.150 nan 0.000 0.442 31 A N -0.461 122.329 122.820 -0.049 0.000 1.902 31 A HA -0.135 4.191 4.320 0.010 0.000 0.217 31 A C 1.947 179.510 177.584 -0.036 0.000 1.181 31 A CA 1.642 53.665 52.037 -0.024 0.000 0.623 31 A CB -0.419 18.669 19.000 0.146 0.000 0.818 31 A HN 0.456 nan 8.150 nan 0.000 0.443 32 E N -0.233 119.949 120.200 -0.030 0.000 2.077 32 E HA -0.165 4.192 4.350 0.010 0.000 0.193 32 E C 2.001 178.564 176.600 -0.062 0.000 0.989 32 E CA 0.910 57.290 56.400 -0.035 0.000 0.800 32 E CB -0.445 29.237 29.700 -0.030 0.000 0.746 32 E HN 0.585 nan 8.360 nan 0.000 0.452 33 L N 0.795 121.975 121.223 -0.071 0.000 2.012 33 L HA -0.227 4.119 4.340 0.010 0.000 0.210 33 L C 2.463 179.241 176.870 -0.153 0.000 1.073 33 L CA 1.790 56.581 54.840 -0.082 0.000 0.748 33 L CB -0.498 41.528 42.059 -0.055 0.000 0.891 33 L HN 0.071 nan 8.230 nan 0.000 0.431 34 A N -0.734 121.943 122.820 -0.238 0.000 1.908 34 A HA -0.243 4.083 4.320 0.010 0.000 0.218 34 A C 2.445 179.776 177.584 -0.422 0.000 1.181 34 A CA 2.004 53.721 52.037 -0.532 0.000 0.627 34 A CB -0.991 17.611 19.000 -0.663 0.000 0.818 34 A HN 0.472 nan 8.150 nan 0.000 0.445 35 A N -0.751 121.954 122.820 -0.192 0.000 1.873 35 A HA 0.034 4.360 4.320 0.010 0.000 0.215 35 A C 2.255 179.796 177.584 -0.072 0.000 1.186 35 A CA 1.714 53.703 52.037 -0.080 0.000 0.616 35 A CB -0.972 18.019 19.000 -0.014 0.000 0.823 35 A HN 0.379 nan 8.150 nan 0.000 0.442 36 V N -0.242 119.626 119.914 -0.078 0.000 2.255 36 V HA -0.254 3.873 4.120 0.010 0.000 0.247 36 V C 2.583 178.629 176.094 -0.081 0.000 1.051 36 V CA 2.113 64.374 62.300 -0.064 0.000 1.018 36 V CB -0.812 30.976 31.823 -0.057 0.000 0.641 36 V HN 0.367 nan 8.190 nan 0.000 0.445 37 V N -0.239 119.610 119.914 -0.108 0.000 2.453 37 V HA -0.304 3.823 4.120 0.010 0.000 0.252 37 V C 2.507 178.553 176.094 -0.079 0.000 1.068 37 V CA 2.564 64.790 62.300 -0.124 0.000 1.070 37 V CB -1.027 30.740 31.823 -0.093 0.000 0.664 37 V HN 0.636 nan 8.190 nan 0.000 0.461 38 T N -0.266 114.253 114.554 -0.058 0.000 2.701 38 T HA -0.174 4.183 4.350 0.010 0.000 0.263 38 T C 2.246 176.949 174.700 0.005 0.000 1.040 38 T CA 1.943 64.056 62.100 0.020 0.000 1.147 38 T CB -0.399 68.515 68.868 0.075 0.000 0.865 38 T HN 0.765 nan 8.240 nan 0.000 0.426 39 E N 1.646 121.841 120.200 -0.010 0.000 2.086 39 E HA -0.236 4.120 4.350 0.010 0.000 0.200 39 E C 2.318 178.903 176.600 -0.025 0.000 1.012 39 E CA 2.288 58.681 56.400 -0.011 0.000 0.812 39 E CB -1.194 28.497 29.700 -0.015 0.000 0.743 39 E HN 0.742 nan 8.360 nan 0.000 0.453 40 S N -0.647 115.022 115.700 -0.053 0.000 2.387 40 S HA 0.030 4.506 4.470 0.010 0.000 0.221 40 S C 2.170 176.728 174.600 -0.068 0.000 1.041 40 S CA 1.604 59.764 58.200 -0.067 0.000 0.959 40 S CB 0.086 63.228 63.200 -0.097 0.000 0.843 40 S HN 1.146 nan 8.310 nan 0.000 0.488 41 V N -1.930 117.934 119.914 -0.083 0.000 3.605 41 V HA 0.364 4.490 4.120 0.010 0.000 0.284 41 V C 0.331 176.420 176.094 -0.007 0.000 1.386 41 V CA 0.667 62.929 62.300 -0.063 0.000 1.053 41 V CB -0.700 31.050 31.823 -0.121 0.000 0.857 41 V HN 0.403 nan 8.190 nan 0.000 0.436 42 D N 1.923 122.326 120.400 0.006 0.000 2.746 42 D HA -0.194 4.452 4.640 0.010 0.000 0.236 42 D C 0.267 176.594 176.300 0.045 0.000 1.129 42 D CA 1.511 55.528 54.000 0.028 0.000 0.691 42 D CB -1.006 39.805 40.800 0.018 0.000 1.077 42 D HN 1.017 nan 8.370 nan 0.000 0.432 43 E N -0.947 119.299 120.200 0.076 0.000 2.263 43 E HA 0.584 4.940 4.350 0.010 0.000 0.264 43 E C -0.533 176.140 176.600 0.122 0.000 0.923 43 E CA -1.087 55.365 56.400 0.087 0.000 0.802 43 E CB 1.216 30.990 29.700 0.123 0.000 1.228 43 E HN -0.083 nan 8.360 nan 0.000 0.417 44 D N 0.570 120.986 120.400 0.027 0.000 2.357 44 D HA 0.260 4.906 4.640 0.010 0.000 0.242 44 D C -0.753 175.561 176.300 0.025 0.000 1.153 44 D CA 0.429 54.380 54.000 -0.082 0.000 0.918 44 D CB 0.465 41.122 40.800 -0.237 0.000 1.181 44 D HN 0.480 nan 8.370 nan 0.000 0.435 45 Y N -1.568 118.680 120.300 -0.087 0.000 2.677 45 Y HA 0.613 5.163 4.550 -0.001 0.000 0.334 45 Y C -1.990 173.968 175.900 0.096 0.000 1.196 45 Y CA -1.354 56.760 58.100 0.022 0.000 1.059 45 Y CB 1.144 39.627 38.460 0.037 0.000 1.315 45 Y HN 0.278 nan 8.280 nan 0.000 0.455 46 L N 3.071 124.516 121.223 0.370 0.000 2.476 46 L HA 0.638 4.984 4.340 0.010 0.000 0.269 46 L C -2.034 174.986 176.870 0.250 0.000 0.965 46 L CA -1.091 53.924 54.840 0.293 0.000 0.845 46 L CB 1.806 44.080 42.059 0.357 0.000 1.259 46 L HN 0.834 nan 8.230 nan 0.000 0.403 47 L N 5.356 126.763 121.223 0.306 0.000 2.265 47 L HA 0.468 4.814 4.340 0.010 0.000 0.289 47 L C -1.715 175.331 176.870 0.294 0.000 1.033 47 L CA 0.086 55.058 54.840 0.221 0.000 0.814 47 L CB 1.110 43.252 42.059 0.139 0.000 1.203 47 L HN 0.584 nan 8.230 nan 0.000 0.423 48 Y N 4.272 124.646 120.300 0.123 0.000 2.338 48 Y HA 0.392 4.947 4.550 0.008 0.000 0.333 48 Y C -0.461 175.444 175.900 0.008 0.000 0.968 48 Y CA -0.640 57.544 58.100 0.141 0.000 1.123 48 Y CB 1.325 39.919 38.460 0.224 0.000 1.165 48 Y HN 0.726 nan 8.280 nan 0.000 0.452 49 E N 6.018 125.907 120.200 -0.519 0.000 2.146 49 E HA 0.399 4.755 4.350 0.010 0.000 0.282 49 E C -1.690 174.447 176.600 -0.771 0.000 0.989 49 E CA -0.425 55.478 56.400 -0.829 0.000 0.799 49 E CB 0.897 29.947 29.700 -1.084 0.000 1.088 49 E HN 0.702 nan 8.360 nan 0.000 0.397 50 C N 5.902 124.883 119.300 -0.532 0.000 2.679 50 C HA 0.236 4.702 4.460 0.010 0.000 0.354 50 C C -1.110 173.755 174.990 -0.207 0.000 1.067 50 C CA -0.473 58.358 59.018 -0.312 0.000 1.317 50 C CB -0.538 27.151 27.740 -0.085 0.000 1.843 50 C HN 0.943 nan 8.230 nan 0.000 0.459 51 D N 4.248 124.532 120.400 -0.194 0.000 2.746 51 D HA -0.137 4.509 4.640 0.010 0.000 0.241 51 D C 1.203 177.449 176.300 -0.089 0.000 1.140 51 D CA 2.297 56.232 54.000 -0.108 0.000 0.707 51 D CB -1.165 39.607 40.800 -0.047 0.000 1.034 51 D HN 1.809 nan 8.370 nan 0.000 0.423 52 G N -0.445 108.259 108.800 -0.161 0.000 2.175 52 G HA2 -0.352 3.614 3.960 0.010 0.000 0.265 52 G HA3 -0.352 3.614 3.960 0.010 0.000 0.265 52 G C 0.111 175.071 174.900 0.100 0.000 0.979 52 G CA 0.434 45.529 45.100 -0.008 0.000 0.663 52 G HN 0.433 nan 8.290 nan 0.000 0.533 53 Q N -0.462 119.315 119.800 -0.039 0.000 2.325 53 Q HA 0.297 4.643 4.340 0.010 0.000 0.262 53 Q C -0.336 175.675 176.000 0.018 0.000 0.968 53 Q CA -0.457 55.407 55.803 0.102 0.000 0.877 53 Q CB 0.992 29.779 28.738 0.081 0.000 1.253 53 Q HN 0.489 nan 8.270 nan 0.000 0.448 54 W N 3.643 124.983 121.300 0.067 0.000 2.311 54 W HA 0.289 4.953 4.660 0.007 0.000 0.317 54 W C -0.443 176.119 176.519 0.070 0.000 1.065 54 W CA -0.527 56.858 57.345 0.067 0.000 1.364 54 W CB 1.262 30.758 29.460 0.061 0.000 1.233 54 W HN 0.200 nan 8.180 nan 0.000 0.409 55 V N 6.398 126.443 119.914 0.217 0.000 2.348 55 V HA 0.081 4.208 4.120 0.010 0.000 0.270 55 V C -0.026 176.102 176.094 0.057 0.000 1.037 55 V CA -0.669 61.720 62.300 0.148 0.000 0.872 55 V CB 1.079 33.020 31.823 0.197 0.000 1.002 55 V HN 0.257 nan 8.190 nan 0.000 0.464 56 L N 5.943 127.183 121.223 0.027 0.000 2.270 56 L HA 0.691 5.037 4.340 0.010 0.000 0.286 56 L C 0.625 177.421 176.870 -0.123 0.000 1.059 56 L CA -0.073 54.758 54.840 -0.015 0.000 0.839 56 L CB 0.709 42.778 42.059 0.017 0.000 1.221 56 L HN 0.678 nan 8.230 nan 0.000 0.431 57 A N 5.154 127.804 122.820 -0.282 0.000 2.415 57 A HA 0.753 5.080 4.320 0.010 0.000 0.309 57 A C 0.049 177.674 177.584 0.069 0.000 1.356 57 A CA 0.068 51.878 52.037 -0.378 0.000 0.998 57 A CB -0.184 18.147 19.000 -1.114 0.000 1.145 57 A HN 0.932 nan 8.150 nan 0.000 0.545 58 A N 2.739 125.610 122.820 0.085 0.000 2.318 58 A HA 0.842 5.169 4.320 0.010 0.000 0.317 58 A C 0.538 178.213 177.584 0.151 0.000 1.159 58 A CA 0.100 52.233 52.037 0.159 0.000 0.799 58 A CB 0.365 19.432 19.000 0.111 0.000 1.194 58 A HN 2.738 nan 8.150 nan 0.000 0.479 59 G N 0.078 108.983 108.800 0.175 0.000 2.722 59 G HA2 0.174 4.140 3.960 0.010 0.000 0.686 59 G HA3 0.174 4.140 3.960 0.010 0.000 0.686 59 G C -0.707 174.276 174.900 0.137 0.000 1.282 59 G CA -0.397 44.775 45.100 0.120 0.000 0.817 59 G HN 1.603 nan 8.290 nan 0.000 0.605 60 V N 3.084 123.023 119.914 0.042 0.000 2.328 60 V HA 0.384 4.511 4.120 0.010 0.000 0.278 60 V C 1.390 177.543 176.094 0.098 0.000 1.021 60 V CA 0.627 62.965 62.300 0.063 0.000 0.838 60 V CB 1.220 32.964 31.823 -0.132 0.000 0.999 60 V HN 0.976 nan 8.190 nan 0.000 0.447 61 Q N 4.349 124.239 119.800 0.151 0.000 2.123 61 Q HA 0.270 4.617 4.340 0.010 0.000 0.196 61 Q C 0.651 176.697 176.000 0.077 0.000 0.958 61 Q CA 1.235 57.094 55.803 0.094 0.000 0.841 61 Q CB 0.459 29.247 28.738 0.084 0.000 0.915 61 Q HN 0.864 nan 8.270 nan 0.000 0.455 62 A N 0.441 123.322 122.820 0.103 0.000 2.574 62 A HA 0.606 4.932 4.320 0.010 0.000 0.297 62 A C -1.613 176.033 177.584 0.103 0.000 1.062 62 A CA -0.738 51.341 52.037 0.070 0.000 0.686 62 A CB 1.589 20.613 19.000 0.040 0.000 1.285 62 A HN 0.284 nan 8.150 nan 0.000 0.403 63 M N 2.325 121.960 119.600 0.057 0.000 2.321 63 M HA 0.643 5.129 4.480 0.010 0.000 0.315 63 M C -1.802 174.499 176.300 0.002 0.000 1.052 63 M CA -0.442 54.888 55.300 0.050 0.000 0.936 63 M CB 1.828 34.433 32.600 0.008 0.000 1.639 63 M HN 0.419 nan 8.290 nan 0.000 0.433 64 V N 5.038 124.938 119.914 -0.023 0.000 2.370 64 V HA 0.425 4.551 4.120 0.010 0.000 0.279 64 V C -0.530 175.498 176.094 -0.110 0.000 1.029 64 V CA -0.509 61.749 62.300 -0.070 0.000 0.870 64 V CB 1.162 32.923 31.823 -0.103 0.000 0.984 64 V HN 0.817 nan 8.190 nan 0.000 0.451 65 E N 4.631 124.777 120.200 -0.090 0.000 2.102 65 E HA 0.382 4.738 4.350 0.010 0.000 0.263 65 E C -1.043 175.508 176.600 -0.082 0.000 0.894 65 E CA -0.803 55.536 56.400 -0.100 0.000 0.746 65 E CB 2.246 31.919 29.700 -0.045 0.000 1.129 65 E HN 0.428 nan 8.360 nan 0.000 0.416 66 L N 3.794 124.934 121.223 -0.139 0.000 2.257 66 L HA 0.317 4.663 4.340 0.010 0.000 0.290 66 L C -0.758 176.116 176.870 0.007 0.000 1.044 66 L CA -0.005 54.767 54.840 -0.113 0.000 0.810 66 L CB 0.471 42.383 42.059 -0.244 0.000 1.193 66 L HN 0.354 nan 8.230 nan 0.000 0.425 67 D N 1.089 121.586 120.400 0.162 0.000 2.449 67 D HA 0.355 5.001 4.640 0.010 0.000 0.250 67 D C 1.048 177.612 176.300 0.439 0.000 1.050 67 D CA 0.223 54.376 54.000 0.255 0.000 1.024 67 D CB 1.876 42.819 40.800 0.238 0.000 1.218 67 D HN 0.557 nan 8.370 nan 0.000 0.566 68 S N -0.268 115.654 115.700 0.370 0.000 2.419 68 S HA -0.208 4.268 4.470 0.010 0.000 0.235 68 S C 0.804 175.515 174.600 0.185 0.000 1.019 68 S CA 1.473 59.904 58.200 0.385 0.000 0.982 68 S CB -0.217 63.122 63.200 0.231 0.000 0.789 68 S HN 0.574 nan 8.310 nan 0.000 0.490 69 D N -0.530 119.949 120.400 0.132 0.000 2.500 69 D HA 0.354 5.000 4.640 0.010 0.000 0.217 69 D C 0.137 176.447 176.300 0.016 0.000 1.159 69 D CA -0.296 53.670 54.000 -0.056 0.000 0.828 69 D CB 0.023 40.773 40.800 -0.083 0.000 1.039 69 D HN 0.598 nan 8.370 nan 0.000 0.512 70 E N -0.524 119.821 120.200 0.240 0.000 2.388 70 E HA 0.431 4.787 4.350 0.010 0.000 0.281 70 E C -2.211 174.622 176.600 0.389 0.000 1.046 70 E CA -0.978 55.586 56.400 0.273 0.000 0.825 70 E CB 1.803 31.610 29.700 0.179 0.000 1.243 70 E HN 0.010 nan 8.360 nan 0.000 0.438 71 L N 2.903 124.309 121.223 0.305 0.000 2.333 71 L HA 0.611 4.957 4.340 0.010 0.000 0.280 71 L C -1.387 175.530 176.870 0.079 0.000 1.004 71 L CA -0.144 54.779 54.840 0.138 0.000 0.820 71 L CB 1.297 43.404 42.059 0.080 0.000 1.247 71 L HN 0.512 nan 8.230 nan 0.000 0.416 72 R N 3.874 124.396 120.500 0.036 0.000 2.670 72 R HA 0.801 5.148 4.340 0.010 0.000 0.289 72 R C -1.444 174.855 176.300 -0.003 0.000 0.965 72 R CA -0.984 55.130 56.100 0.023 0.000 0.899 72 R CB 2.375 32.690 30.300 0.026 0.000 1.173 72 R HN 0.451 nan 8.270 nan 0.000 0.456 73 V N 4.514 124.427 119.914 -0.001 0.000 2.448 73 V HA 0.489 4.616 4.120 0.010 0.000 0.295 73 V C -0.328 175.766 176.094 0.000 0.000 1.025 73 V CA -0.714 61.582 62.300 -0.007 0.000 0.859 73 V CB 1.621 33.438 31.823 -0.011 0.000 0.988 73 V HN 0.587 nan 8.190 nan 0.000 0.431 74 I N 5.096 125.667 120.570 0.001 0.000 2.436 74 I HA 0.681 4.858 4.170 0.010 0.000 0.289 74 I C -0.136 175.987 176.117 0.010 0.000 1.010 74 I CA -0.370 60.933 61.300 0.004 0.000 1.098 74 I CB 1.672 39.672 38.000 0.000 0.000 1.266 74 I HN 0.553 nan 8.210 nan 0.000 0.434 75 R N 5.215 125.722 120.500 0.011 0.000 2.508 75 R HA 0.240 4.586 4.340 0.010 0.000 0.283 75 R C -1.376 174.932 176.300 0.014 0.000 1.120 75 R CA -0.426 55.684 56.100 0.015 0.000 0.958 75 R CB 1.121 31.430 30.300 0.015 0.000 1.215 75 R HN 0.702 nan 8.270 nan 0.000 0.427 76 D N 3.418 123.828 120.400 0.016 0.000 2.699 76 D HA -0.190 4.456 4.640 0.010 0.000 0.239 76 D C 0.776 177.083 176.300 0.011 0.000 1.136 76 D CA 2.126 56.135 54.000 0.015 0.000 0.668 76 D CB -0.941 39.868 40.800 0.015 0.000 1.060 76 D HN 1.079 nan 8.370 nan 0.000 0.429 77 G N -2.519 106.287 108.800 0.010 0.000 2.358 77 G HA2 -0.326 3.640 3.960 0.010 0.000 0.224 77 G HA3 -0.326 3.640 3.960 0.010 0.000 0.224 77 G C 0.353 175.258 174.900 0.007 0.000 1.073 77 G CA 0.056 45.161 45.100 0.008 0.000 0.635 77 G HN 0.662 nan 8.290 nan 0.000 0.509 78 V N 2.494 122.412 119.914 0.008 0.000 2.461 78 V HA 0.566 4.692 4.120 0.010 0.000 0.275 78 V C 0.425 176.524 176.094 0.008 0.000 1.047 78 V CA 0.353 62.657 62.300 0.008 0.000 0.955 78 V CB 1.427 33.254 31.823 0.008 0.000 0.988 78 V HN 0.319 nan 8.190 nan 0.000 0.471 79 T N 6.151 120.709 114.554 0.008 0.000 2.753 79 T HA 0.329 4.685 4.350 0.010 0.000 0.297 79 T C 0.102 174.809 174.700 0.012 0.000 0.981 79 T CA -0.341 61.764 62.100 0.009 0.000 0.956 79 T CB 0.290 69.164 68.868 0.010 0.000 0.936 79 T HN 0.648 nan 8.240 nan 0.000 0.463 80 R N 3.477 123.985 120.500 0.012 0.000 2.254 80 R HA 0.378 4.724 4.340 0.010 0.000 0.318 80 R C -0.435 175.878 176.300 0.022 0.000 1.031 80 R CA -0.568 55.541 56.100 0.015 0.000 0.905 80 R CB 0.558 30.865 30.300 0.011 0.000 1.050 80 R HN 0.536 nan 8.270 nan 0.000 0.456 81 R N 3.401 123.918 120.500 0.028 0.000 2.393 81 R HA 0.265 4.611 4.340 0.010 0.000 0.310 81 R C -0.707 175.621 176.300 0.048 0.000 0.968 81 R CA -0.567 55.558 56.100 0.042 0.000 0.867 81 R CB 2.095 32.420 30.300 0.041 0.000 1.124 81 R HN 0.605 nan 8.270 nan 0.000 0.450 82 Q N 1.394 121.236 119.800 0.071 0.000 2.389 82 Q HA 0.274 4.620 4.340 0.010 0.000 0.277 82 Q C -0.929 175.144 176.000 0.122 0.000 1.082 82 Q CA -1.046 54.806 55.803 0.082 0.000 0.810 82 Q CB 2.910 31.695 28.738 0.078 0.000 1.374 82 Q HN 0.268 nan 8.270 nan 0.000 0.422 83 Q N 1.495 121.351 119.800 0.094 0.000 2.227 83 Q HA 0.411 4.757 4.340 0.010 0.000 0.245 83 Q C -0.976 175.116 176.000 0.154 0.000 0.926 83 Q CA -0.103 55.740 55.803 0.067 0.000 0.895 83 Q CB 1.665 30.399 28.738 -0.007 0.000 1.230 83 Q HN 0.661 nan 8.270 nan 0.000 0.450 84 W N -0.001 121.291 121.300 -0.013 0.000 3.127 84 W HA 0.626 5.291 4.660 0.009 0.000 0.330 84 W C -1.312 175.192 176.519 -0.024 0.000 1.187 84 W CA -1.014 56.317 57.345 -0.024 0.000 1.198 84 W CB 0.661 30.100 29.460 -0.034 0.000 1.408 84 W HN 0.589 nan 8.180 nan 0.000 0.529 85 S N 1.224 117.017 115.700 0.155 0.000 2.632 85 S HA 0.899 5.375 4.470 0.010 0.000 0.289 85 S C 0.177 174.913 174.600 0.226 0.000 1.115 85 S CA 0.028 58.235 58.200 0.011 0.000 0.889 85 S CB 1.869 65.054 63.200 -0.025 0.000 1.116 85 S HN 2.130 nan 8.310 nan 0.000 0.486 86 G N 1.622 110.503 108.800 0.136 0.000 2.498 86 G HA2 -0.185 3.781 3.960 0.010 0.000 0.245 86 G HA3 -0.185 3.781 3.960 0.010 0.000 0.245 86 G C -0.724 174.304 174.900 0.213 0.000 1.204 86 G CA -0.509 44.670 45.100 0.132 0.000 0.933 86 G HN 0.933 nan 8.290 nan 0.000 0.574 87 R N 2.103 122.646 120.500 0.073 0.000 2.389 87 R HA 0.324 4.671 4.340 0.010 0.000 0.295 87 R C -1.104 175.054 176.300 -0.236 0.000 1.075 87 R CA -1.008 55.049 56.100 -0.072 0.000 1.005 87 R CB 1.299 31.523 30.300 -0.127 0.000 0.987 87 R HN 0.381 nan 8.270 nan 0.000 0.452 88 P HA -0.145 nan 4.420 nan 0.000 0.220 88 P C 1.106 178.057 177.300 -0.582 0.000 1.148 88 P CA 1.259 63.788 63.100 -0.950 0.000 0.803 88 P CB 0.196 31.168 31.700 -1.214 0.000 0.782 89 G N 0.392 108.928 108.800 -0.439 0.000 2.422 89 G HA2 -0.149 3.817 3.960 0.010 0.000 0.218 89 G HA3 -0.149 3.817 3.960 0.010 0.000 0.218 89 G C 1.772 176.587 174.900 -0.142 0.000 1.140 89 G CA 0.839 45.875 45.100 -0.106 0.000 0.775 89 G HN 0.357 nan 8.290 nan 0.000 0.545 90 A N 1.177 123.892 122.820 -0.175 0.000 1.898 90 A HA 0.335 4.661 4.320 0.010 0.000 0.216 90 A C 2.800 180.291 177.584 -0.156 0.000 1.181 90 A CA 2.081 54.041 52.037 -0.129 0.000 0.620 90 A CB -0.738 18.210 19.000 -0.087 0.000 0.819 90 A HN 0.668 nan 8.150 nan 0.000 0.442 91 A N -0.482 122.188 122.820 -0.250 0.000 1.858 91 A HA -0.027 4.299 4.320 0.010 0.000 0.216 91 A C 2.137 179.548 177.584 -0.289 0.000 1.190 91 A CA 1.731 53.586 52.037 -0.304 0.000 0.617 91 A CB -0.699 17.927 19.000 -0.622 0.000 0.827 91 A HN 0.615 nan 8.150 nan 0.000 0.443 92 L N 0.159 121.193 121.223 -0.316 0.000 2.046 92 L HA -0.038 4.308 4.340 0.010 0.000 0.208 92 L C 2.440 179.195 176.870 -0.191 0.000 1.077 92 L CA 2.305 56.996 54.840 -0.248 0.000 0.747 92 L CB -1.070 40.860 42.059 -0.215 0.000 0.896 92 L HN 0.328 nan 8.230 nan 0.000 0.432 93 G N -1.221 107.483 108.800 -0.161 0.000 2.418 93 G HA2 -0.342 3.624 3.960 0.010 0.000 0.217 93 G HA3 -0.342 3.624 3.960 0.010 0.000 0.217 93 G C 1.456 176.286 174.900 -0.116 0.000 1.158 93 G CA 0.790 45.809 45.100 -0.134 0.000 0.771 93 G HN 0.565 nan 8.290 nan 0.000 0.545 94 E N 0.568 120.704 120.200 -0.107 0.000 2.070 94 E HA -0.145 4.211 4.350 0.010 0.000 0.197 94 E C 2.673 179.221 176.600 -0.086 0.000 1.004 94 E CA 1.412 57.761 56.400 -0.084 0.000 0.805 94 E CB -0.319 29.338 29.700 -0.071 0.000 0.744 94 E HN 0.350 nan 8.360 nan 0.000 0.451 95 A N 0.299 123.057 122.820 -0.104 0.000 1.929 95 A HA -0.059 4.267 4.320 0.010 0.000 0.216 95 A C 2.383 179.906 177.584 -0.102 0.000 1.176 95 A CA 1.204 53.183 52.037 -0.095 0.000 0.628 95 A CB -0.379 18.557 19.000 -0.107 0.000 0.816 95 A HN 0.239 nan 8.150 nan 0.000 0.444 96 V N 0.503 120.341 119.914 -0.127 0.000 2.453 96 V HA -0.180 3.946 4.120 0.010 0.000 0.247 96 V C 2.036 178.058 176.094 -0.120 0.000 1.048 96 V CA 2.117 64.335 62.300 -0.138 0.000 1.049 96 V CB -0.735 30.981 31.823 -0.178 0.000 0.672 96 V HN 0.458 nan 8.190 nan 0.000 0.457 97 D N 0.085 120.420 120.400 -0.108 0.000 2.149 97 D HA -0.147 4.499 4.640 0.010 0.000 0.198 97 D C 2.404 178.659 176.300 -0.075 0.000 0.990 97 D CA 1.139 55.084 54.000 -0.091 0.000 0.839 97 D CB -0.212 40.540 40.800 -0.080 0.000 0.948 97 D HN 0.388 nan 8.370 nan 0.000 0.460 98 R N -0.000 120.459 120.500 -0.068 0.000 2.075 98 R HA 0.005 4.351 4.340 0.010 0.000 0.232 98 R C 2.524 178.794 176.300 -0.051 0.000 1.126 98 R CA 0.453 56.522 56.100 -0.052 0.000 0.963 98 R CB -0.361 29.912 30.300 -0.045 0.000 0.858 98 R HN 0.233 nan 8.270 nan 0.000 0.435 99 L N 0.704 121.890 121.223 -0.061 0.000 2.043 99 L HA -0.214 4.132 4.340 0.010 0.000 0.212 99 L C 2.180 179.013 176.870 -0.062 0.000 1.075 99 L CA 1.340 56.146 54.840 -0.058 0.000 0.752 99 L CB -0.340 41.674 42.059 -0.076 0.000 0.891 99 L HN 0.231 nan 8.230 nan 0.000 0.432 100 L N -0.692 120.483 121.223 -0.080 0.000 2.554 100 L HA -0.079 4.267 4.340 0.010 0.000 0.226 100 L C 2.174 179.008 176.870 -0.061 0.000 1.137 100 L CA 0.034 54.822 54.840 -0.085 0.000 0.863 100 L CB -0.069 41.924 42.059 -0.110 0.000 0.985 100 L HN 0.286 nan 8.230 nan 0.000 0.451 101 L N -0.709 120.485 121.223 -0.049 0.000 2.141 101 L HA -0.166 4.180 4.340 0.010 0.000 0.209 101 L C 2.027 178.883 176.870 -0.024 0.000 1.094 101 L CA 1.165 55.985 54.840 -0.034 0.000 0.763 101 L CB -0.171 41.870 42.059 -0.029 0.000 0.908 101 L HN 0.236 nan 8.230 nan 0.000 0.437 102 E N -1.108 119.078 120.200 -0.024 0.000 2.364 102 E HA 0.003 4.359 4.350 0.010 0.000 0.196 102 E C 0.572 177.166 176.600 -0.009 0.000 0.990 102 E CA 0.494 56.887 56.400 -0.011 0.000 0.886 102 E CB 0.624 30.320 29.700 -0.007 0.000 0.866 102 E HN 0.414 nan 8.360 nan 0.000 0.493 103 T N -2.704 111.836 114.554 -0.023 0.000 2.896 103 T HA 0.241 4.597 4.350 0.010 0.000 0.297 103 T C -0.015 174.657 174.700 -0.048 0.000 1.108 103 T CA -0.869 61.218 62.100 -0.022 0.000 1.004 103 T CB 1.648 70.507 68.868 -0.016 0.000 1.159 103 T HN -0.333 nan 8.240 nan 0.000 0.499 104 D N 0.596 120.966 120.400 -0.049 0.000 2.224 104 D HA 0.091 4.737 4.640 0.010 0.000 0.205 104 D C 0.528 176.750 176.300 -0.131 0.000 0.965 104 D CA 1.276 55.229 54.000 -0.078 0.000 0.852 104 D CB 0.296 41.050 40.800 -0.076 0.000 0.947 104 D HN 0.580 nan 8.370 nan 0.000 0.494 105 Q N -0.959 118.757 119.800 -0.141 0.000 2.379 105 Q HA 0.710 5.056 4.340 0.010 0.000 0.278 105 Q C -1.434 174.389 176.000 -0.295 0.000 1.068 105 Q CA -0.803 54.835 55.803 -0.274 0.000 0.816 105 Q CB 3.131 31.716 28.738 -0.254 0.000 1.387 105 Q HN -0.007 nan 8.270 nan 0.000 0.413 106 A N 1.631 124.103 122.820 -0.581 0.000 2.475 106 A HA 0.920 5.246 4.320 0.010 0.000 0.301 106 A C -1.697 175.393 177.584 -0.823 0.000 1.059 106 A CA -0.420 51.326 52.037 -0.485 0.000 0.710 106 A CB 1.114 19.916 19.000 -0.330 0.000 1.288 106 A HN 0.564 nan 8.150 nan 0.000 0.408 107 F N 0.170 119.766 119.950 -0.590 0.000 2.599 107 F HA 0.803 5.338 4.527 0.013 0.000 0.311 107 F C 0.790 176.380 175.800 -0.350 0.000 1.076 107 F CA 0.479 58.158 58.000 -0.534 0.000 0.937 107 F CB 2.823 41.477 39.000 -0.576 0.000 1.282 107 F HN 1.186 nan 8.300 nan 0.000 0.460 108 G N 0.367 109.165 108.800 -0.003 0.000 2.455 108 G HA2 0.257 4.224 3.960 0.010 0.000 0.223 108 G HA3 0.257 4.224 3.960 0.010 0.000 0.223 108 G C -2.396 172.547 174.900 0.071 0.000 1.226 108 G CA -0.600 44.562 45.100 0.103 0.000 0.948 108 G HN 0.930 nan 8.290 nan 0.000 0.478 109 W N -0.466 120.774 121.300 -0.100 0.000 3.107 109 W HA 0.746 5.407 4.660 0.002 0.000 0.331 109 W C -1.718 174.711 176.519 -0.151 0.000 1.204 109 W CA -1.292 55.973 57.345 -0.134 0.000 1.184 109 W CB 1.309 30.707 29.460 -0.103 0.000 1.421 109 W HN 0.608 nan 8.180 nan 0.000 0.544 110 V N 2.482 122.489 119.914 0.155 0.000 2.483 110 V HA 0.571 4.697 4.120 0.010 0.000 0.297 110 V C 0.563 176.871 176.094 0.357 0.000 1.027 110 V CA -0.718 61.543 62.300 -0.065 0.000 0.855 110 V CB 0.731 32.260 31.823 -0.490 0.000 0.995 110 V HN 0.770 nan 8.190 nan 0.000 0.424 111 A N 3.384 126.463 122.820 0.432 0.000 2.366 111 A HA 0.453 4.779 4.320 0.010 0.000 0.249 111 A C 0.822 178.770 177.584 0.608 0.000 1.084 111 A CA -0.073 52.312 52.037 0.581 0.000 0.794 111 A CB -0.003 19.347 19.000 0.583 0.000 1.034 111 A HN 0.917 nan 8.150 nan 0.000 0.491 112 F N 0.573 120.748 119.950 0.375 0.000 2.154 112 F HA -0.204 4.329 4.527 0.009 0.000 0.301 112 F C 1.782 177.823 175.800 0.403 0.000 1.087 112 F CA 2.608 60.801 58.000 0.321 0.000 1.274 112 F CB -0.104 38.975 39.000 0.131 0.000 1.009 112 F HN 0.738 nan 8.300 nan 0.000 0.485 113 E N -0.410 120.048 120.200 0.429 0.000 2.338 113 E HA -0.184 4.172 4.350 0.010 0.000 0.197 113 E C 1.825 178.658 176.600 0.388 0.000 1.007 113 E CA 0.959 57.564 56.400 0.340 0.000 0.849 113 E CB -0.705 29.217 29.700 0.370 0.000 0.774 113 E HN 0.594 nan 8.360 nan 0.000 0.506 114 F N -0.100 119.981 119.950 0.219 0.000 2.269 114 F HA -0.047 4.487 4.527 0.011 0.000 0.301 114 F C 1.939 177.828 175.800 0.148 0.000 1.082 114 F CA 1.464 59.515 58.000 0.085 0.000 1.360 114 F CB -0.034 38.872 39.000 -0.158 0.000 1.041 114 F HN 0.051 nan 8.300 nan 0.000 0.512 115 G N -0.459 108.565 108.800 0.372 0.000 2.813 115 G HA2 -0.021 3.945 3.960 0.010 0.000 0.209 115 G HA3 -0.021 3.945 3.960 0.010 0.000 0.209 115 G C 1.442 176.459 174.900 0.194 0.000 1.150 115 G CA 0.735 46.029 45.100 0.323 0.000 0.785 115 G HN 0.443 nan 8.290 nan 0.000 0.535 116 V N -2.455 117.573 119.914 0.189 0.000 3.052 116 V HA 0.091 4.217 4.120 0.010 0.000 0.254 116 V C 2.141 178.267 176.094 0.054 0.000 1.100 116 V CA 1.171 63.566 62.300 0.159 0.000 1.112 116 V CB -0.799 31.150 31.823 0.211 0.000 0.738 116 V HN 0.277 nan 8.190 nan 0.000 0.469 117 H N 1.310 120.361 119.070 -0.031 0.000 2.387 117 H HA -0.031 4.531 4.556 0.010 0.000 0.299 117 H C 2.393 177.628 175.328 -0.156 0.000 1.090 117 H CA 2.207 58.209 56.048 -0.076 0.000 1.332 117 H CB -0.290 29.417 29.762 -0.092 0.000 1.386 117 H HN 0.424 nan 8.280 nan 0.000 0.516 118 R N 0.022 120.439 120.500 -0.138 0.000 2.152 118 R HA -0.132 4.215 4.340 0.010 0.000 0.232 118 R C 0.424 176.328 176.300 -0.660 0.000 1.117 118 R CA 1.166 57.009 56.100 -0.428 0.000 0.981 118 R CB 0.002 29.948 30.300 -0.589 0.000 0.870 118 R HN 0.335 nan 8.270 nan 0.000 0.451 119 Y N -0.553 119.747 120.300 -0.000 0.000 2.607 119 Y HA 0.345 4.901 4.550 0.010 0.000 0.266 119 Y C 0.943 176.821 175.900 -0.037 0.000 1.178 119 Y CA -0.102 57.991 58.100 -0.012 0.000 1.226 119 Y CB 0.862 39.320 38.460 -0.003 0.000 1.144 119 Y HN 0.256 nan 8.280 nan 0.000 0.528 120 G N 0.958 109.747 108.800 -0.019 0.000 2.246 120 G HA2 -0.276 3.690 3.960 0.010 0.000 0.273 120 G HA3 -0.276 3.690 3.960 0.010 0.000 0.273 120 G C 0.285 175.139 174.900 -0.077 0.000 1.055 120 G CA 0.578 45.654 45.100 -0.041 0.000 0.851 120 G HN 0.509 nan 8.290 nan 0.000 0.500 121 L N -1.270 119.883 121.223 -0.117 0.000 2.966 121 L HA 0.197 4.544 4.340 0.010 0.000 0.262 121 L C 2.366 179.076 176.870 -0.266 0.000 1.165 121 L CA 0.137 54.845 54.840 -0.219 0.000 0.978 121 L CB 0.226 42.133 42.059 -0.252 0.000 1.337 121 L HN 0.214 nan 8.230 nan 0.000 0.563 122 Q N 1.075 120.704 119.800 -0.285 0.000 2.142 122 Q HA -0.310 4.036 4.340 0.010 0.000 0.213 122 Q C 2.202 178.085 176.000 -0.196 0.000 1.004 122 Q CA 2.460 58.053 55.803 -0.349 0.000 0.883 122 Q CB -0.310 28.292 28.738 -0.227 0.000 0.939 122 Q HN 0.516 nan 8.270 nan 0.000 0.413 123 Q N 0.139 119.842 119.800 -0.161 0.000 2.368 123 Q HA -0.177 4.169 4.340 0.010 0.000 0.210 123 Q C 1.266 177.202 176.000 -0.105 0.000 0.982 123 Q CA 1.322 57.053 55.803 -0.119 0.000 0.884 123 Q CB -0.111 28.564 28.738 -0.106 0.000 0.933 123 Q HN 0.354 nan 8.270 nan 0.000 0.460 124 R N 0.265 120.677 120.500 -0.146 0.000 2.280 124 R HA 0.311 4.657 4.340 0.010 0.000 0.195 124 R C 0.521 176.880 176.300 0.098 0.000 0.935 124 R CA -0.033 56.001 56.100 -0.111 0.000 1.033 124 R CB 0.164 30.190 30.300 -0.456 0.000 0.964 124 R HN 0.284 nan 8.270 nan 0.000 0.489 125 L N 1.576 122.863 121.223 0.107 0.000 2.331 125 L HA 0.236 4.582 4.340 0.010 0.000 0.278 125 L C 0.711 177.642 176.870 0.102 0.000 1.106 125 L CA -0.511 54.438 54.840 0.181 0.000 0.824 125 L CB 0.971 43.128 42.059 0.164 0.000 1.142 125 L HN -0.012 nan 8.230 nan 0.000 0.443 126 A N 5.732 128.619 122.820 0.112 0.000 2.429 126 A HA 0.391 4.717 4.320 0.010 0.000 0.242 126 A C -2.191 175.400 177.584 0.012 0.000 1.088 126 A CA -1.012 51.060 52.037 0.057 0.000 0.784 126 A CB -0.516 18.529 19.000 0.074 0.000 1.038 126 A HN 0.492 nan 8.150 nan 0.000 0.501 127 P HA 0.042 nan 4.420 nan 0.000 0.265 127 P C -0.380 176.801 177.300 -0.199 0.000 1.187 127 P CA 0.870 63.802 63.100 -0.280 0.000 0.766 127 P CB 0.008 31.453 31.700 -0.425 0.000 0.820 128 H N -1.549 117.573 119.070 0.086 0.000 2.899 128 H HA -0.134 4.430 4.556 0.013 0.000 0.282 128 H C -0.399 175.005 175.328 0.127 0.000 1.198 128 H CA 0.815 56.923 56.048 0.100 0.000 1.140 128 H CB -2.755 27.055 29.762 0.079 0.000 1.317 128 H HN 0.338 nan 8.280 nan 0.000 0.375 129 T N 3.827 118.503 114.554 0.204 0.000 2.752 129 T HA 0.242 4.598 4.350 0.010 0.000 0.295 129 T C -2.004 172.843 174.700 0.246 0.000 0.923 129 T CA -0.907 61.325 62.100 0.220 0.000 1.112 129 T CB 1.335 70.332 68.868 0.215 0.000 0.884 129 T HN 0.103 nan 8.240 nan 0.000 0.525 130 P HA 0.187 nan 4.420 nan 0.000 0.267 130 P C 0.251 177.699 177.300 0.247 0.000 1.205 130 P CA -0.058 63.184 63.100 0.236 0.000 0.765 130 P CB 0.666 32.566 31.700 0.333 0.000 0.828 131 L N 1.494 122.802 121.223 0.141 0.000 2.467 131 L HA 0.483 4.829 4.340 0.010 0.000 0.213 131 L C 0.915 177.747 176.870 -0.063 0.000 1.053 131 L CA 0.375 55.310 54.840 0.159 0.000 0.847 131 L CB 0.052 42.231 42.059 0.200 0.000 1.075 131 L HN 0.378 nan 8.230 nan 0.000 0.479 132 A N 0.034 122.668 122.820 -0.311 0.000 2.605 132 A HA 0.750 5.076 4.320 0.010 0.000 0.294 132 A C -1.381 175.770 177.584 -0.723 0.000 1.062 132 A CA -0.617 51.055 52.037 -0.607 0.000 0.682 132 A CB 1.563 20.264 19.000 -0.498 0.000 1.278 132 A HN -0.021 nan 8.150 nan 0.000 0.410 133 R N 0.853 120.747 120.500 -1.011 0.000 2.483 133 R HA 0.611 4.957 4.340 0.010 0.000 0.303 133 R C -1.704 174.339 176.300 -0.428 0.000 0.987 133 R CA -0.466 55.213 56.100 -0.702 0.000 0.881 133 R CB 1.480 31.270 30.300 -0.850 0.000 1.177 133 R HN 0.526 nan 8.270 nan 0.000 0.451 134 V N 5.024 124.812 119.914 -0.209 0.000 2.569 134 V HA 0.539 4.665 4.120 0.010 0.000 0.301 134 V C -0.693 175.425 176.094 0.041 0.000 1.044 134 V CA -0.979 61.253 62.300 -0.113 0.000 0.874 134 V CB 1.826 33.518 31.823 -0.218 0.000 1.002 134 V HN 0.650 nan 8.190 nan 0.000 0.424 135 F N 2.312 122.217 119.950 -0.074 0.000 2.561 135 F HA 0.883 5.427 4.527 0.028 0.000 0.321 135 F C 0.234 176.049 175.800 0.025 0.000 1.065 135 F CA -0.862 57.123 58.000 -0.025 0.000 0.934 135 F CB 1.931 40.927 39.000 -0.006 0.000 1.215 135 F HN 0.426 nan 8.300 nan 0.000 0.471 136 S N 2.584 118.324 115.700 0.068 0.000 2.475 136 S HA 0.583 5.059 4.470 0.010 0.000 0.281 136 S C -2.767 171.917 174.600 0.141 0.000 1.198 136 S CA -1.400 56.798 58.200 -0.002 0.000 1.063 136 S CB 0.796 64.003 63.200 0.011 0.000 0.972 136 S HN 0.590 nan 8.310 nan 0.000 0.486 137 P HA 0.292 nan 4.420 nan 0.000 0.277 137 P C 0.333 177.699 177.300 0.111 0.000 1.240 137 P CA -0.703 62.505 63.100 0.181 0.000 0.798 137 P CB 0.828 32.543 31.700 0.026 0.000 0.979 138 R N 0.093 120.655 120.500 0.104 0.000 2.096 138 R HA 0.034 4.380 4.340 0.010 0.000 0.235 138 R C 0.357 176.653 176.300 -0.007 0.000 1.127 138 R CA 1.277 57.399 56.100 0.037 0.000 0.968 138 R CB -0.336 29.976 30.300 0.019 0.000 0.861 138 R HN 0.533 nan 8.270 nan 0.000 0.440 139 T N 0.406 114.939 114.554 -0.035 0.000 2.912 139 T HA 0.433 4.790 4.350 0.010 0.000 0.299 139 T C -0.896 173.792 174.700 -0.020 0.000 1.052 139 T CA -0.750 61.315 62.100 -0.059 0.000 0.996 139 T CB 2.572 71.298 68.868 -0.238 0.000 1.070 139 T HN 0.042 nan 8.240 nan 0.000 0.465 140 R N 1.754 122.283 120.500 0.048 0.000 2.562 140 R HA 0.719 5.065 4.340 0.010 0.000 0.298 140 R C -0.927 175.472 176.300 0.165 0.000 0.961 140 R CA -0.743 55.379 56.100 0.035 0.000 0.881 140 R CB 1.782 32.036 30.300 -0.077 0.000 1.159 140 R HN 0.498 nan 8.270 nan 0.000 0.450 141 I N 3.327 123.965 120.570 0.114 0.000 2.406 141 I HA 0.376 4.552 4.170 0.010 0.000 0.290 141 I C -0.261 175.953 176.117 0.161 0.000 0.999 141 I CA -0.460 60.933 61.300 0.156 0.000 1.124 141 I CB 1.778 39.837 38.000 0.098 0.000 1.289 141 I HN 0.387 nan 8.210 nan 0.000 0.441 142 M N 6.521 126.251 119.600 0.218 0.000 2.125 142 M HA 0.485 4.972 4.480 0.010 0.000 0.321 142 M C -1.134 175.284 176.300 0.197 0.000 0.983 142 M CA -0.742 54.689 55.300 0.219 0.000 0.934 142 M CB 2.048 34.807 32.600 0.265 0.000 1.542 142 M HN 0.219 nan 8.290 nan 0.000 0.424 143 V N 2.729 122.774 119.914 0.219 0.000 2.417 143 V HA 0.686 4.812 4.120 0.010 0.000 0.291 143 V C -0.035 176.216 176.094 0.261 0.000 1.024 143 V CA -0.359 62.046 62.300 0.176 0.000 0.861 143 V CB 1.680 33.561 31.823 0.097 0.000 0.985 143 V HN 1.009 nan 8.190 nan 0.000 0.436 144 S N 1.727 117.537 115.700 0.184 0.000 2.685 144 S HA 0.366 4.842 4.470 0.010 0.000 0.282 144 S C 0.606 175.275 174.600 0.113 0.000 1.159 144 S CA 0.078 58.409 58.200 0.218 0.000 0.833 144 S CB 1.862 65.177 63.200 0.191 0.000 1.151 144 S HN 0.454 nan 8.310 nan 0.000 0.485 145 E N 0.673 120.942 120.200 0.116 0.000 2.160 145 E HA -0.170 4.186 4.350 0.010 0.000 0.195 145 E C 1.672 178.294 176.600 0.037 0.000 0.991 145 E CA 2.121 58.555 56.400 0.056 0.000 0.810 145 E CB -0.677 29.063 29.700 0.066 0.000 0.742 145 E HN 0.751 nan 8.360 nan 0.000 0.466 146 K N -0.101 120.330 120.400 0.051 0.000 2.168 146 K HA 0.101 4.427 4.320 0.010 0.000 0.201 146 K C 1.165 177.785 176.600 0.033 0.000 1.049 146 K CA 0.819 57.128 56.287 0.037 0.000 0.974 146 K CB 0.178 32.703 32.500 0.041 0.000 0.792 146 K HN 0.384 nan 8.250 nan 0.000 0.463 147 E N 0.537 120.766 120.200 0.047 0.000 2.433 147 E HA 0.416 4.772 4.350 0.010 0.000 0.278 147 E C -1.259 175.375 176.600 0.057 0.000 0.976 147 E CA -1.043 55.382 56.400 0.042 0.000 0.793 147 E CB 1.463 31.187 29.700 0.040 0.000 1.311 147 E HN 0.096 nan 8.360 nan 0.000 0.460 148 I N 1.423 122.020 120.570 0.044 0.000 2.330 148 I HA 0.409 4.585 4.170 0.010 0.000 0.289 148 I C -0.010 176.139 176.117 0.052 0.000 1.001 148 I CA -0.623 60.711 61.300 0.057 0.000 1.193 148 I CB 1.224 39.246 38.000 0.036 0.000 1.345 148 I HN 0.283 nan 8.210 nan 0.000 0.461 149 R N 6.469 127.025 120.500 0.093 0.000 2.407 149 R HA 0.695 5.041 4.340 0.010 0.000 0.303 149 R C -1.134 175.207 176.300 0.068 0.000 0.981 149 R CA -0.797 55.331 56.100 0.048 0.000 0.905 149 R CB 1.746 32.126 30.300 0.134 0.000 1.099 149 R HN 0.525 nan 8.270 nan 0.000 0.459 150 L N 4.205 125.367 121.223 -0.102 0.000 2.325 150 L HA 0.488 4.835 4.340 0.010 0.000 0.281 150 L C -0.914 175.838 176.870 -0.197 0.000 1.004 150 L CA -0.543 54.278 54.840 -0.032 0.000 0.823 150 L CB 1.032 43.072 42.059 -0.030 0.000 1.236 150 L HN 0.476 nan 8.230 nan 0.000 0.415 151 F N 2.026 121.978 119.950 0.004 0.000 2.426 151 F HA 0.289 4.822 4.527 0.009 0.000 0.348 151 F C 0.601 176.391 175.800 -0.017 0.000 1.124 151 F CA -0.638 57.363 58.000 0.001 0.000 1.008 151 F CB 1.249 40.257 39.000 0.013 0.000 1.139 151 F HN 0.562 nan 8.300 nan 0.000 0.452 152 D N 1.312 121.779 120.400 0.112 0.000 2.811 152 D HA -0.204 4.442 4.640 0.010 0.000 0.231 152 D C 0.078 176.383 176.300 0.008 0.000 1.157 152 D CA 0.671 54.705 54.000 0.057 0.000 0.716 152 D CB -0.800 40.042 40.800 0.071 0.000 1.077 152 D HN 0.545 nan 8.370 nan 0.000 0.428 153 A N 0.404 123.224 122.820 0.001 0.000 2.401 153 A HA 0.586 4.912 4.320 0.010 0.000 0.259 153 A C 1.110 178.700 177.584 0.011 0.000 1.103 153 A CA 0.466 52.490 52.037 -0.022 0.000 0.789 153 A CB 0.986 19.994 19.000 0.014 0.000 1.035 153 A HN 0.236 nan 8.150 nan 0.000 0.491 154 G N 0.464 109.285 108.800 0.035 0.000 2.502 154 G HA2 0.456 4.422 3.960 0.010 0.000 0.305 154 G HA3 0.456 4.422 3.960 0.010 0.000 0.305 154 G C 0.794 175.749 174.900 0.092 0.000 1.190 154 G CA -0.685 44.456 45.100 0.069 0.000 0.933 154 G HN 0.653 nan 8.290 nan 0.000 0.503 155 I N -0.287 120.321 120.570 0.064 0.000 2.264 155 I HA -0.203 3.973 4.170 0.010 0.000 0.248 155 I C 2.880 179.031 176.117 0.057 0.000 1.111 155 I CA 1.250 62.579 61.300 0.049 0.000 1.382 155 I CB -0.111 37.907 38.000 0.031 0.000 1.060 155 I HN 0.596 nan 8.210 nan 0.000 0.418 156 R N 0.241 120.782 120.500 0.069 0.000 2.081 156 R HA -0.200 4.146 4.340 0.010 0.000 0.235 156 R C 2.325 178.634 176.300 0.015 0.000 1.131 156 R CA 1.753 57.874 56.100 0.034 0.000 0.960 156 R CB -0.242 30.073 30.300 0.025 0.000 0.856 156 R HN 0.370 nan 8.270 nan 0.000 0.436 157 H N -0.202 118.873 119.070 0.009 0.000 2.326 157 H HA 0.036 4.597 4.556 0.009 0.000 0.301 157 H C 2.203 177.533 175.328 0.003 0.000 1.081 157 H CA 2.023 58.075 56.048 0.007 0.000 1.334 157 H CB 0.133 29.904 29.762 0.015 0.000 1.385 157 H HN 0.182 nan 8.280 nan 0.000 0.504 158 R N 0.557 121.136 120.500 0.131 0.000 2.105 158 R HA -0.145 4.201 4.340 0.010 0.000 0.239 158 R C 2.019 178.340 176.300 0.035 0.000 1.135 158 R CA 1.433 57.573 56.100 0.066 0.000 0.967 158 R CB -0.194 30.133 30.300 0.044 0.000 0.861 158 R HN 0.523 nan 8.270 nan 0.000 0.442 159 E N 0.530 120.745 120.200 0.026 0.000 2.110 159 E HA -0.160 4.196 4.350 0.010 0.000 0.193 159 E C 1.925 178.520 176.600 -0.007 0.000 0.988 159 E CA 1.254 57.657 56.400 0.005 0.000 0.804 159 E CB 0.003 29.703 29.700 -0.001 0.000 0.745 159 E HN 0.396 nan 8.360 nan 0.000 0.458 160 A N 0.455 123.265 122.820 -0.018 0.000 2.030 160 A HA -0.004 4.323 4.320 0.010 0.000 0.215 160 A C 2.013 179.585 177.584 -0.020 0.000 1.164 160 A CA 0.248 52.264 52.037 -0.035 0.000 0.697 160 A CB -0.210 18.744 19.000 -0.078 0.000 0.827 160 A HN 0.108 nan 8.150 nan 0.000 0.457 161 I N 0.166 120.737 120.570 0.002 0.000 2.179 161 I HA -0.253 3.923 4.170 0.010 0.000 0.242 161 I C 1.771 177.887 176.117 -0.000 0.000 1.088 161 I CA 1.484 62.789 61.300 0.008 0.000 1.357 161 I CB -0.402 37.615 38.000 0.028 0.000 1.051 161 I HN 0.229 nan 8.210 nan 0.000 0.409 162 D N 0.725 121.125 120.400 0.001 0.000 2.149 162 D HA -0.154 4.492 4.640 0.010 0.000 0.198 162 D C 2.341 178.637 176.300 -0.008 0.000 0.990 162 D CA 1.172 55.170 54.000 -0.003 0.000 0.839 162 D CB -0.223 40.577 40.800 -0.001 0.000 0.948 162 D HN 0.311 nan 8.370 nan 0.000 0.460 163 R N 0.234 120.727 120.500 -0.011 0.000 2.092 163 R HA -0.011 4.336 4.340 0.010 0.000 0.231 163 R C 2.449 178.739 176.300 -0.015 0.000 1.119 163 R CA 0.296 56.387 56.100 -0.013 0.000 0.970 163 R CB -0.354 29.936 30.300 -0.017 0.000 0.864 163 R HN 0.220 nan 8.270 nan 0.000 0.440 164 L N 1.102 122.314 121.223 -0.017 0.000 1.994 164 L HA -0.193 4.153 4.340 0.010 0.000 0.208 164 L C 2.074 178.933 176.870 -0.018 0.000 1.071 164 L CA 1.587 56.415 54.840 -0.020 0.000 0.745 164 L CB -0.248 41.797 42.059 -0.023 0.000 0.892 164 L HN 0.248 nan 8.230 nan 0.000 0.431 165 L N -0.063 121.151 121.223 -0.015 0.000 2.127 165 L HA -0.202 4.144 4.340 0.010 0.000 0.211 165 L C 2.754 179.616 176.870 -0.014 0.000 1.089 165 L CA 1.100 55.931 54.840 -0.015 0.000 0.757 165 L CB -0.653 41.400 42.059 -0.011 0.000 0.899 165 L HN 0.361 nan 8.230 nan 0.000 0.434 166 A N -0.520 122.292 122.820 -0.012 0.000 1.970 166 A HA -0.147 4.179 4.320 0.010 0.000 0.216 166 A C 2.390 179.967 177.584 -0.012 0.000 1.170 166 A CA 1.768 53.799 52.037 -0.011 0.000 0.645 166 A CB -0.585 18.409 19.000 -0.010 0.000 0.816 166 A HN 0.472 nan 8.150 nan 0.000 0.447 167 T N -3.874 110.672 114.554 -0.013 0.000 3.057 167 T HA 0.433 4.789 4.350 0.010 0.000 0.254 167 T C 1.110 175.802 174.700 -0.014 0.000 1.094 167 T CA 1.221 63.313 62.100 -0.013 0.000 1.088 167 T CB -0.390 68.471 68.868 -0.012 0.000 0.934 167 T HN 1.930 nan 8.240 nan 0.000 0.497 168 G N 1.148 109.938 108.800 -0.017 0.000 2.829 168 G HA2 -0.049 3.917 3.960 0.010 0.000 0.628 168 G HA3 -0.049 3.917 3.960 0.010 0.000 0.628 168 G C -0.283 174.605 174.900 -0.021 0.000 1.412 168 G CA -0.423 44.665 45.100 -0.020 0.000 0.864 168 G HN 1.466 nan 8.290 nan 0.000 0.544 169 V N -1.319 118.580 119.914 -0.025 0.000 2.649 169 V HA 0.711 4.837 4.120 0.010 0.000 0.292 169 V C 1.107 177.191 176.094 -0.016 0.000 1.055 169 V CA -0.536 61.750 62.300 -0.023 0.000 1.023 169 V CB 1.055 32.859 31.823 -0.031 0.000 0.992 169 V HN 0.920 nan 8.190 nan 0.000 0.480 170 R N 2.137 122.632 120.500 -0.009 0.000 2.756 170 R HA 0.161 4.508 4.340 0.010 0.000 0.264 170 R C 0.280 176.577 176.300 -0.004 0.000 1.026 170 R CA -0.067 56.031 56.100 -0.004 0.000 1.121 170 R CB 0.392 30.695 30.300 0.004 0.000 0.999 170 R HN 0.914 nan 8.270 nan 0.000 0.449 171 E N 1.009 121.207 120.200 -0.004 0.000 2.392 171 E HA 0.025 4.381 4.350 0.010 0.000 0.264 171 E C -0.830 175.773 176.600 0.004 0.000 1.024 171 E CA -0.208 56.190 56.400 -0.003 0.000 0.903 171 E CB 0.761 30.459 29.700 -0.003 0.000 0.963 171 E HN 0.195 nan 8.360 nan 0.000 0.432 172 V N 7.065 126.983 119.914 0.006 0.000 2.455 172 V HA 0.191 4.317 4.120 0.010 0.000 0.273 172 V C -1.779 174.325 176.094 0.016 0.000 1.045 172 V CA -1.422 60.888 62.300 0.016 0.000 0.976 172 V CB 0.525 32.361 31.823 0.020 0.000 0.993 172 V HN 0.788 nan 8.190 nan 0.000 0.475 173 P HA 0.152 nan 4.420 nan 0.000 0.271 173 P C -0.228 177.078 177.300 0.010 0.000 1.244 173 P CA -0.483 62.622 63.100 0.008 0.000 0.793 173 P CB 0.395 32.097 31.700 0.004 0.000 0.984 174 Q N 0.114 119.913 119.800 -0.002 0.000 2.361 174 Q HA 0.176 4.522 4.340 0.010 0.000 0.276 174 Q C 0.521 176.511 176.000 -0.016 0.000 1.022 174 Q CA 0.059 55.857 55.803 -0.008 0.000 0.898 174 Q CB 0.302 29.027 28.738 -0.021 0.000 1.246 174 Q HN 0.543 nan 8.270 nan 0.000 0.410 175 S N 2.788 118.482 115.700 -0.010 0.000 2.624 175 S HA 0.419 4.895 4.470 0.010 0.000 0.263 175 S C -0.227 174.335 174.600 -0.062 0.000 1.287 175 S CA -0.768 57.424 58.200 -0.014 0.000 0.990 175 S CB 1.436 64.639 63.200 0.004 0.000 0.950 175 S HN 0.657 nan 8.310 nan 0.000 0.561 176 R N 0.183 120.640 120.500 -0.072 0.000 2.670 176 R HA 0.486 4.832 4.340 0.010 0.000 0.289 176 R C -0.374 175.922 176.300 -0.007 0.000 0.965 176 R CA -0.451 55.557 56.100 -0.154 0.000 0.899 176 R CB 1.748 31.741 30.300 -0.511 0.000 1.173 176 R HN 0.956 nan 8.270 nan 0.000 0.456 177 S N 1.987 117.678 115.700 -0.016 0.000 2.632 177 S HA 0.549 5.025 4.470 0.010 0.000 0.271 177 S C -0.007 174.673 174.600 0.133 0.000 1.260 177 S CA -0.640 57.578 58.200 0.030 0.000 1.010 177 S CB 1.585 64.773 63.200 -0.020 0.000 0.965 177 S HN 0.438 nan 8.310 nan 0.000 0.534 178 V N -0.943 119.020 119.914 0.082 0.000 2.735 178 V HA 0.603 4.729 4.120 0.010 0.000 0.310 178 V C -0.869 175.239 176.094 0.024 0.000 1.061 178 V CA -1.004 61.342 62.300 0.077 0.000 0.913 178 V CB 1.646 33.489 31.823 0.032 0.000 1.005 178 V HN 0.892 nan 8.190 nan 0.000 0.428 179 D N 2.366 122.784 120.400 0.031 0.000 2.277 179 D HA 0.378 5.025 4.640 0.010 0.000 0.249 179 D C 0.761 177.072 176.300 0.018 0.000 1.134 179 D CA 0.149 54.163 54.000 0.023 0.000 0.863 179 D CB 1.961 42.781 40.800 0.033 0.000 1.143 179 D HN 0.797 nan 8.370 nan 0.000 0.458 180 V N 1.546 121.466 119.914 0.010 0.000 3.578 180 V HA 0.112 4.238 4.120 0.010 0.000 0.290 180 V C 1.399 177.545 176.094 0.086 0.000 1.376 180 V CA 0.722 63.021 62.300 -0.001 0.000 1.083 180 V CB -0.227 31.551 31.823 -0.075 0.000 0.911 180 V HN 0.475 nan 8.190 nan 0.000 0.433 181 S N 0.945 116.723 115.700 0.130 0.000 2.496 181 S HA -0.008 4.469 4.470 0.010 0.000 0.224 181 S C 0.567 175.312 174.600 0.241 0.000 0.996 181 S CA 0.354 58.692 58.200 0.230 0.000 0.927 181 S CB -0.714 62.557 63.200 0.119 0.000 0.774 181 S HN 0.791 nan 8.310 nan 0.000 0.524 182 D N 1.082 121.585 120.400 0.173 0.000 2.358 182 D HA 0.445 5.091 4.640 0.010 0.000 0.244 182 D C -0.564 175.860 176.300 0.207 0.000 1.163 182 D CA -0.541 53.531 54.000 0.120 0.000 0.945 182 D CB 0.236 41.078 40.800 0.071 0.000 1.152 182 D HN 0.049 nan 8.370 nan 0.000 0.451 183 D N -0.536 119.935 120.400 0.117 0.000 2.772 183 D HA 0.208 4.854 4.640 0.010 0.000 0.326 183 D C -1.734 174.627 176.300 0.103 0.000 1.207 183 D CA -1.656 52.447 54.000 0.173 0.000 0.777 183 D CB 0.649 41.492 40.800 0.072 0.000 1.169 183 D HN 0.079 nan 8.370 nan 0.000 0.506 184 P HA -0.092 nan 4.420 nan 0.000 0.222 184 P C 1.042 178.369 177.300 0.045 0.000 1.147 184 P CA 0.690 63.817 63.100 0.045 0.000 0.790 184 P CB 0.202 31.919 31.700 0.027 0.000 0.780 185 S N -1.721 114.022 115.700 0.071 0.000 2.575 185 S HA 0.325 4.802 4.470 0.010 0.000 0.215 185 S C 1.417 176.075 174.600 0.096 0.000 0.966 185 S CA 0.299 58.539 58.200 0.067 0.000 0.911 185 S CB -1.107 62.131 63.200 0.063 0.000 0.780 185 S HN 0.302 nan 8.310 nan 0.000 0.514 186 G N 1.422 110.293 108.800 0.118 0.000 2.314 186 G HA2 -0.314 3.652 3.960 0.010 0.000 0.292 186 G HA3 -0.314 3.652 3.960 0.010 0.000 0.292 186 G C 0.072 175.062 174.900 0.149 0.000 1.059 186 G CA 0.235 45.400 45.100 0.107 0.000 0.982 186 G HN 0.543 nan 8.290 nan 0.000 0.505 187 F N 0.360 120.367 119.950 0.095 0.000 2.120 187 F HA -0.128 4.406 4.527 0.011 0.000 0.300 187 F C 2.654 178.524 175.800 0.116 0.000 1.095 187 F CA 2.426 60.501 58.000 0.124 0.000 1.249 187 F CB -0.086 39.041 39.000 0.212 0.000 0.995 187 F HN 0.335 nan 8.300 nan 0.000 0.480 188 R N -0.293 120.316 120.500 0.181 0.000 2.075 188 R HA -0.157 4.189 4.340 0.010 0.000 0.232 188 R C 2.500 178.767 176.300 -0.055 0.000 1.126 188 R CA 1.457 57.580 56.100 0.038 0.000 0.963 188 R CB -0.460 29.861 30.300 0.035 0.000 0.858 188 R HN 0.304 nan 8.270 nan 0.000 0.435 189 R N 1.139 121.621 120.500 -0.030 0.000 2.073 189 R HA -0.125 4.222 4.340 0.010 0.000 0.234 189 R C 2.125 178.385 176.300 -0.066 0.000 1.134 189 R CA 1.526 57.604 56.100 -0.036 0.000 0.952 189 R CB -0.046 30.246 30.300 -0.012 0.000 0.850 189 R HN 0.131 nan 8.270 nan 0.000 0.433 190 R N -0.131 120.314 120.500 -0.090 0.000 2.096 190 R HA -0.077 4.269 4.340 0.010 0.000 0.235 190 R C 2.310 178.509 176.300 -0.168 0.000 1.127 190 R CA 1.433 57.468 56.100 -0.108 0.000 0.968 190 R CB -0.270 29.977 30.300 -0.089 0.000 0.861 190 R HN 0.119 nan 8.270 nan 0.000 0.440 191 V N 0.992 120.724 119.914 -0.304 0.000 2.343 191 V HA -0.252 3.874 4.120 0.010 0.000 0.247 191 V C 2.418 178.437 176.094 -0.125 0.000 1.051 191 V CA 2.000 64.134 62.300 -0.276 0.000 1.036 191 V CB -0.631 30.971 31.823 -0.369 0.000 0.654 191 V HN 0.416 nan 8.190 nan 0.000 0.451 192 A N -0.337 122.424 122.820 -0.098 0.000 1.933 192 A HA -0.143 4.183 4.320 0.010 0.000 0.218 192 A C 2.384 179.943 177.584 -0.041 0.000 1.175 192 A CA 1.926 53.930 52.037 -0.056 0.000 0.628 192 A CB -0.615 18.359 19.000 -0.043 0.000 0.814 192 A HN 0.337 nan 8.150 nan 0.000 0.444 193 V N -0.040 119.852 119.914 -0.036 0.000 2.255 193 V HA -0.288 3.838 4.120 0.010 0.000 0.247 193 V C 3.073 179.169 176.094 0.003 0.000 1.051 193 V CA 2.086 64.379 62.300 -0.012 0.000 1.018 193 V CB -1.316 30.508 31.823 0.001 0.000 0.641 193 V HN 0.615 nan 8.190 nan 0.000 0.445 194 A N -0.375 122.456 122.820 0.017 0.000 1.902 194 A HA -0.164 4.162 4.320 0.010 0.000 0.217 194 A C 2.392 179.972 177.584 -0.007 0.000 1.181 194 A CA 2.065 54.151 52.037 0.082 0.000 0.623 194 A CB -0.714 18.353 19.000 0.112 0.000 0.818 194 A HN 0.340 nan 8.150 nan 0.000 0.443 195 V N 0.586 120.480 119.914 -0.033 0.000 2.343 195 V HA -0.251 3.875 4.120 0.010 0.000 0.247 195 V C 2.160 178.205 176.094 -0.081 0.000 1.051 195 V CA 2.349 64.615 62.300 -0.058 0.000 1.036 195 V CB -0.805 30.991 31.823 -0.044 0.000 0.654 195 V HN 0.494 nan 8.190 nan 0.000 0.451 196 D N -0.242 120.119 120.400 -0.065 0.000 2.144 196 D HA -0.144 4.502 4.640 0.010 0.000 0.199 196 D C 2.269 178.506 176.300 -0.104 0.000 0.984 196 D CA 1.184 55.144 54.000 -0.067 0.000 0.834 196 D CB -0.130 40.644 40.800 -0.043 0.000 0.955 196 D HN 0.554 nan 8.370 nan 0.000 0.465 197 E N 0.044 120.163 120.200 -0.135 0.000 2.072 197 E HA -0.092 4.264 4.350 0.010 0.000 0.191 197 E C 2.349 178.706 176.600 -0.404 0.000 0.985 197 E CA 0.416 56.677 56.400 -0.233 0.000 0.801 197 E CB 0.001 29.578 29.700 -0.204 0.000 0.750 197 E HN 0.305 nan 8.360 nan 0.000 0.452 198 I N 1.265 121.564 120.570 -0.450 0.000 2.226 198 I HA -0.271 3.906 4.170 0.010 0.000 0.245 198 I C 2.570 178.559 176.117 -0.213 0.000 1.100 198 I CA 0.980 62.036 61.300 -0.405 0.000 1.374 198 I CB -0.312 37.521 38.000 -0.278 0.000 1.057 198 I HN 0.071 nan 8.210 nan 0.000 0.413 199 A N 0.668 123.398 122.820 -0.149 0.000 1.940 199 A HA -0.124 4.202 4.320 0.010 0.000 0.219 199 A C 2.347 179.882 177.584 -0.081 0.000 1.176 199 A CA 1.772 53.755 52.037 -0.091 0.000 0.631 199 A CB -0.700 18.259 19.000 -0.068 0.000 0.814 199 A HN 0.442 nan 8.150 nan 0.000 0.446 200 A N -1.724 121.036 122.820 -0.100 0.000 2.238 200 A HA 0.411 4.737 4.320 0.010 0.000 0.208 200 A C 1.699 179.236 177.584 -0.079 0.000 1.177 200 A CA 1.140 53.131 52.037 -0.077 0.000 0.804 200 A CB -1.048 17.909 19.000 -0.072 0.000 0.823 200 A HN 1.918 nan 8.150 nan 0.000 0.482 201 G N -0.797 107.940 108.800 -0.104 0.000 2.137 201 G HA2 -0.260 3.707 3.960 0.010 0.000 0.237 201 G HA3 -0.260 3.707 3.960 0.010 0.000 0.237 201 G C 0.982 175.836 174.900 -0.076 0.000 1.002 201 G CA 0.429 45.485 45.100 -0.073 0.000 0.702 201 G HN 0.405 nan 8.290 nan 0.000 0.515 202 R N -1.040 119.354 120.500 -0.177 0.000 2.119 202 R HA 0.166 4.512 4.340 0.010 0.000 0.222 202 R C 1.053 177.386 176.300 0.055 0.000 1.088 202 R CA 1.987 58.028 56.100 -0.099 0.000 0.984 202 R CB -0.317 29.896 30.300 -0.146 0.000 0.884 202 R HN 0.936 nan 8.270 nan 0.000 0.447 203 Y N -5.303 115.018 120.300 0.036 0.000 2.779 203 Y HA 0.244 4.801 4.550 0.011 0.000 0.340 203 Y C 0.851 176.796 175.900 0.075 0.000 1.252 203 Y CA -1.100 57.034 58.100 0.056 0.000 1.072 203 Y CB 0.430 38.917 38.460 0.045 0.000 1.343 203 Y HN -0.145 nan 8.280 nan 0.000 0.450 204 H N 0.594 119.798 119.070 0.224 0.000 2.439 204 H HA 0.411 4.973 4.556 0.010 0.000 0.299 204 H C -0.271 175.156 175.328 0.165 0.000 1.033 204 H CA 1.112 57.233 56.048 0.122 0.000 1.348 204 H CB 0.632 30.445 29.762 0.086 0.000 1.449 204 H HN 0.557 nan 8.280 nan 0.000 0.544 205 K N 0.319 120.862 120.400 0.239 0.000 2.542 205 K HA 0.483 4.809 4.320 0.010 0.000 0.259 205 K C -2.163 174.534 176.600 0.162 0.000 0.932 205 K CA -0.883 55.489 56.287 0.142 0.000 0.820 205 K CB 2.491 35.067 32.500 0.128 0.000 1.345 205 K HN 0.022 nan 8.250 nan 0.000 0.432 206 V N 4.993 124.980 119.914 0.122 0.000 2.760 206 V HA 0.526 4.652 4.120 0.010 0.000 0.309 206 V C -1.433 174.693 176.094 0.052 0.000 1.077 206 V CA -0.896 61.416 62.300 0.020 0.000 0.910 206 V CB 1.786 33.563 31.823 -0.076 0.000 1.008 206 V HN 0.732 nan 8.190 nan 0.000 0.424 207 I N 7.163 127.760 120.570 0.045 0.000 2.312 207 I HA 0.439 4.615 4.170 0.010 0.000 0.291 207 I C 0.075 176.245 176.117 0.088 0.000 1.031 207 I CA 0.466 61.814 61.300 0.079 0.000 1.293 207 I CB 1.018 39.060 38.000 0.071 0.000 1.403 207 I HN 0.444 nan 8.210 nan 0.000 0.484 208 L N 5.484 126.790 121.223 0.139 0.000 2.313 208 L HA 0.788 5.134 4.340 0.010 0.000 0.268 208 L C 0.192 177.286 176.870 0.374 0.000 1.010 208 L CA -0.536 54.409 54.840 0.175 0.000 0.814 208 L CB 1.923 44.023 42.059 0.067 0.000 1.304 208 L HN 0.685 nan 8.230 nan 0.000 0.441 209 S N 0.307 116.204 115.700 0.328 0.000 2.651 209 S HA 0.818 5.294 4.470 0.010 0.000 0.279 209 S C -1.169 173.504 174.600 0.121 0.000 1.148 209 S CA -1.039 57.266 58.200 0.175 0.000 0.837 209 S CB 2.488 65.697 63.200 0.015 0.000 1.138 209 S HN 0.744 nan 8.310 nan 0.000 0.478 210 R N -0.454 119.964 120.500 -0.136 0.000 2.673 210 R HA 0.745 5.091 4.340 0.010 0.000 0.281 210 R C -1.294 174.919 176.300 -0.145 0.000 0.991 210 R CA -0.766 55.270 56.100 -0.107 0.000 0.896 210 R CB 0.639 30.841 30.300 -0.164 0.000 1.201 210 R HN 0.642 nan 8.270 nan 0.000 0.457 211 C N 1.971 121.227 119.300 -0.075 0.000 2.539 211 C HA 0.482 4.948 4.460 0.010 0.000 0.392 211 C C 0.272 175.264 174.990 0.004 0.000 1.269 211 C CA -0.372 58.647 59.018 0.002 0.000 2.250 211 C CB 0.821 28.537 27.740 -0.040 0.000 2.584 211 C HN 0.530 nan 8.230 nan 0.000 0.589 212 V N 3.920 123.868 119.914 0.057 0.000 2.444 212 V HA 0.276 4.402 4.120 0.010 0.000 0.294 212 V C -0.159 175.987 176.094 0.085 0.000 1.022 212 V CA -0.434 61.886 62.300 0.033 0.000 0.850 212 V CB 1.370 33.183 31.823 -0.016 0.000 0.992 212 V HN 0.777 nan 8.190 nan 0.000 0.426 213 E N 3.147 123.378 120.200 0.051 0.000 2.360 213 E HA 0.262 4.618 4.350 0.010 0.000 0.269 213 E C -0.491 176.107 176.600 -0.003 0.000 1.022 213 E CA -0.179 56.253 56.400 0.054 0.000 0.887 213 E CB 1.796 31.504 29.700 0.015 0.000 0.990 213 E HN 0.373 nan 8.360 nan 0.000 0.426 214 V N 5.759 125.645 119.914 -0.046 0.000 2.333 214 V HA 0.155 4.281 4.120 0.010 0.000 0.274 214 V C -1.577 174.374 176.094 -0.239 0.000 1.028 214 V CA -1.229 60.920 62.300 -0.251 0.000 0.851 214 V CB 1.386 32.964 31.823 -0.410 0.000 1.000 214 V HN 0.539 nan 8.190 nan 0.000 0.456 215 P HA 0.162 nan 4.420 nan 0.000 0.255 215 P C -0.435 176.945 177.300 0.133 0.000 1.357 215 P CA 0.246 63.359 63.100 0.022 0.000 0.839 215 P CB -0.268 31.489 31.700 0.095 0.000 1.356 216 F N -2.291 117.682 119.950 0.037 0.000 2.613 216 F HA 0.815 5.347 4.527 0.008 0.000 0.314 216 F C -0.548 175.281 175.800 0.048 0.000 1.075 216 F CA -2.257 55.764 58.000 0.035 0.000 0.945 216 F CB 0.639 39.650 39.000 0.018 0.000 1.310 216 F HN -0.219 nan 8.300 nan 0.000 0.467 217 A N 2.819 125.778 122.820 0.232 0.000 2.440 217 A HA 0.579 4.906 4.320 0.010 0.000 0.251 217 A C -0.138 177.586 177.584 0.233 0.000 1.089 217 A CA -0.454 51.686 52.037 0.172 0.000 0.779 217 A CB -0.256 18.843 19.000 0.165 0.000 1.022 217 A HN 0.953 nan 8.150 nan 0.000 0.492 218 I N -0.455 120.185 120.570 0.117 0.000 2.676 218 I HA 0.466 4.642 4.170 0.010 0.000 0.309 218 I C -0.296 175.883 176.117 0.104 0.000 0.990 218 I CA -0.856 60.486 61.300 0.071 0.000 1.168 218 I CB 1.661 39.548 38.000 -0.189 0.000 1.343 218 I HN 0.514 nan 8.210 nan 0.000 0.482 219 D N 3.664 124.114 120.400 0.085 0.000 2.380 219 D HA 0.171 4.817 4.640 0.010 0.000 0.230 219 D C 0.427 176.791 176.300 0.107 0.000 1.154 219 D CA -0.117 53.964 54.000 0.134 0.000 0.859 219 D CB 0.725 41.590 40.800 0.108 0.000 1.045 219 D HN 0.578 nan 8.370 nan 0.000 0.495 220 F N 3.960 123.959 119.950 0.082 0.000 2.113 220 F HA -0.021 4.522 4.527 0.026 0.000 0.297 220 F C -0.709 175.168 175.800 0.129 0.000 1.103 220 F CA 0.808 58.856 58.000 0.080 0.000 1.248 220 F CB -1.127 37.906 39.000 0.055 0.000 0.999 220 F HN 0.437 nan 8.300 nan 0.000 0.475 221 P HA -0.137 nan 4.420 nan 0.000 0.216 221 P C 1.837 179.263 177.300 0.209 0.000 1.153 221 P CA 1.467 64.705 63.100 0.230 0.000 0.848 221 P CB -0.034 31.756 31.700 0.151 0.000 0.787 222 L N -1.618 119.693 121.223 0.145 0.000 2.141 222 L HA -0.121 4.225 4.340 0.010 0.000 0.209 222 L C 2.263 179.194 176.870 0.101 0.000 1.094 222 L CA 1.511 56.416 54.840 0.108 0.000 0.763 222 L CB -1.447 40.658 42.059 0.076 0.000 0.908 222 L HN 0.020 nan 8.230 nan 0.000 0.437 223 T N -1.246 113.361 114.554 0.087 0.000 2.777 223 T HA -0.236 4.121 4.350 0.010 0.000 0.266 223 T C 1.684 176.451 174.700 0.111 0.000 1.040 223 T CA 1.320 63.455 62.100 0.059 0.000 1.141 223 T CB -0.348 68.481 68.868 -0.065 0.000 0.868 223 T HN 0.313 nan 8.240 nan 0.000 0.444 224 Y N 2.385 122.720 120.300 0.059 0.000 2.081 224 Y HA -0.244 4.314 4.550 0.013 0.000 0.280 224 Y C 2.484 178.486 175.900 0.169 0.000 1.163 224 Y CA 1.511 59.680 58.100 0.116 0.000 1.135 224 Y CB -0.226 38.286 38.460 0.087 0.000 0.970 224 Y HN 0.022 nan 8.280 nan 0.000 0.498 225 R N -0.566 120.000 120.500 0.110 0.000 2.083 225 R HA -0.181 4.165 4.340 0.010 0.000 0.237 225 R C 2.174 178.411 176.300 -0.106 0.000 1.137 225 R CA 1.632 57.727 56.100 -0.008 0.000 0.951 225 R CB -0.786 29.556 30.300 0.071 0.000 0.851 225 R HN 0.373 nan 8.270 nan 0.000 0.434 226 L N 0.368 121.563 121.223 -0.047 0.000 2.046 226 L HA -0.028 4.318 4.340 0.010 0.000 0.208 226 L C 2.125 178.851 176.870 -0.240 0.000 1.077 226 L CA 2.108 56.912 54.840 -0.060 0.000 0.747 226 L CB -0.973 41.117 42.059 0.051 0.000 0.896 226 L HN 0.215 nan 8.230 nan 0.000 0.432 227 G N -1.393 107.266 108.800 -0.234 0.000 2.421 227 G HA2 -0.282 3.684 3.960 0.010 0.000 0.217 227 G HA3 -0.282 3.684 3.960 0.010 0.000 0.217 227 G C 1.728 176.136 174.900 -0.819 0.000 1.143 227 G CA 0.644 45.427 45.100 -0.528 0.000 0.784 227 G HN 0.317 nan 8.290 nan 0.000 0.541 228 R N 1.035 121.161 120.500 -0.622 0.000 2.120 228 R HA 0.047 4.393 4.340 0.010 0.000 0.234 228 R C 2.466 178.513 176.300 -0.423 0.000 1.123 228 R CA 0.895 56.653 56.100 -0.571 0.000 0.975 228 R CB -0.397 29.659 30.300 -0.406 0.000 0.866 228 R HN 0.312 nan 8.270 nan 0.000 0.446 229 R N -1.052 119.208 120.500 -0.400 0.000 2.285 229 R HA -0.047 4.299 4.340 0.010 0.000 0.213 229 R C 0.583 176.505 176.300 -0.629 0.000 1.068 229 R CA 0.950 56.786 56.100 -0.439 0.000 1.004 229 R CB -0.076 29.970 30.300 -0.423 0.000 0.873 229 R HN 0.427 nan 8.270 nan 0.000 0.467 230 H N -0.605 118.156 119.070 -0.516 0.000 2.662 230 H HA 0.320 4.882 4.556 0.010 0.000 0.268 230 H C -0.511 174.591 175.328 -0.376 0.000 1.152 230 H CA -0.183 55.590 56.048 -0.458 0.000 1.072 230 H CB 0.485 29.811 29.762 -0.727 0.000 1.660 230 H HN 0.145 nan 8.280 nan 0.000 0.584 231 N N 0.004 118.512 118.700 -0.320 0.000 2.416 231 N HA 0.204 4.950 4.740 0.010 0.000 0.276 231 N C -0.729 174.679 175.510 -0.172 0.000 1.261 231 N CA -0.495 52.393 53.050 -0.270 0.000 0.790 231 N CB 2.294 40.475 38.487 -0.510 0.000 1.554 231 N HN 0.015 nan 8.380 nan 0.000 0.481 232 T N -1.522 112.981 114.554 -0.084 0.000 3.418 232 T HA 0.423 4.779 4.350 0.010 0.000 0.315 232 T C -2.922 171.784 174.700 0.010 0.000 1.447 232 T CA -1.455 60.625 62.100 -0.034 0.000 1.641 232 T CB 0.469 69.321 68.868 -0.027 0.000 0.904 232 T HN 0.192 nan 8.240 nan 0.000 0.640 233 P HA 0.362 nan 4.420 nan 0.000 0.278 233 P C 0.945 178.268 177.300 0.040 0.000 1.266 233 P CA -0.574 62.571 63.100 0.075 0.000 0.807 233 P CB 1.532 33.321 31.700 0.149 0.000 1.094 234 V N -0.481 119.459 119.914 0.043 0.000 2.649 234 V HA 0.030 4.156 4.120 0.010 0.000 0.248 234 V C 1.168 177.237 176.094 -0.042 0.000 1.054 234 V CA 1.488 63.794 62.300 0.010 0.000 1.073 234 V CB -0.704 31.139 31.823 0.032 0.000 0.699 234 V HN 0.540 nan 8.190 nan 0.000 0.463 235 R N -0.407 120.075 120.500 -0.031 0.000 2.764 235 R HA 0.642 4.988 4.340 0.010 0.000 0.270 235 R C -0.834 175.446 176.300 -0.034 0.000 1.014 235 R CA -0.064 55.945 56.100 -0.152 0.000 0.904 235 R CB 2.054 32.252 30.300 -0.169 0.000 1.236 235 R HN 0.330 nan 8.270 nan 0.000 0.466 236 S N 0.093 115.738 115.700 -0.092 0.000 2.618 236 S HA 0.879 5.355 4.470 0.010 0.000 0.277 236 S C -0.956 173.750 174.600 0.176 0.000 1.138 236 S CA -0.818 57.446 58.200 0.107 0.000 0.844 236 S CB 1.946 65.313 63.200 0.279 0.000 1.127 236 S HN 0.504 nan 8.310 nan 0.000 0.474 237 F N -0.317 119.713 119.950 0.133 0.000 2.654 237 F HA 0.897 5.427 4.527 0.005 0.000 0.308 237 F C -1.899 173.924 175.800 0.038 0.000 1.108 237 F CA -1.266 56.807 58.000 0.122 0.000 0.957 237 F CB 1.409 40.544 39.000 0.225 0.000 1.309 237 F HN 0.732 nan 8.300 nan 0.000 0.446 238 L N 4.454 125.743 121.223 0.111 0.000 2.516 238 L HA 0.828 5.174 4.340 0.010 0.000 0.267 238 L C -2.000 174.991 176.870 0.202 0.000 0.957 238 L CA -0.559 54.307 54.840 0.043 0.000 0.860 238 L CB 1.930 43.854 42.059 -0.225 0.000 1.265 238 L HN 0.948 nan 8.230 nan 0.000 0.403 239 L N 1.810 123.078 121.223 0.074 0.000 2.415 239 L HA 0.778 5.125 4.340 0.010 0.000 0.256 239 L C -1.130 175.420 176.870 -0.534 0.000 1.010 239 L CA -0.509 54.202 54.840 -0.215 0.000 0.826 239 L CB 1.999 44.065 42.059 0.012 0.000 1.405 239 L HN 0.745 nan 8.230 nan 0.000 0.410 240 Q N 1.864 121.161 119.800 -0.840 0.000 2.444 240 Q HA 0.637 4.983 4.340 0.010 0.000 0.251 240 Q C -2.277 173.474 176.000 -0.414 0.000 0.939 240 Q CA -0.509 54.939 55.803 -0.591 0.000 0.740 240 Q CB 1.892 30.271 28.738 -0.599 0.000 1.308 240 Q HN 0.813 nan 8.270 nan 0.000 0.461 241 L N 3.262 124.341 121.223 -0.240 0.000 2.491 241 L HA 0.594 4.940 4.340 0.010 0.000 0.267 241 L C 0.365 177.205 176.870 -0.049 0.000 0.971 241 L CA 0.930 55.676 54.840 -0.157 0.000 0.857 241 L CB 1.730 43.755 42.059 -0.057 0.000 1.226 241 L HN 0.719 nan 8.230 nan 0.000 0.408 242 G N 3.157 111.915 108.800 -0.071 0.000 2.249 242 G HA2 0.031 3.997 3.960 0.010 0.000 0.273 242 G HA3 0.031 3.997 3.960 0.010 0.000 0.273 242 G C 1.019 175.924 174.900 0.008 0.000 1.036 242 G CA 0.773 45.866 45.100 -0.012 0.000 0.824 242 G HN 2.064 nan 8.290 nan 0.000 0.504 243 G N -1.802 106.980 108.800 -0.030 0.000 2.175 243 G HA2 -0.224 3.742 3.960 0.010 0.000 0.244 243 G HA3 -0.224 3.742 3.960 0.010 0.000 0.244 243 G C 0.310 175.190 174.900 -0.034 0.000 0.982 243 G CA 0.360 45.447 45.100 -0.021 0.000 0.641 243 G HN 1.320 nan 8.290 nan 0.000 0.527 244 I N 1.044 121.579 120.570 -0.058 0.000 2.377 244 I HA 0.496 4.672 4.170 0.010 0.000 0.293 244 I C 0.611 176.592 176.117 -0.227 0.000 0.987 244 I CA -0.830 60.405 61.300 -0.108 0.000 1.185 244 I CB 1.409 39.344 38.000 -0.109 0.000 1.341 244 I HN -0.019 nan 8.210 nan 0.000 0.455 245 R N 4.746 125.032 120.500 -0.356 0.000 2.460 245 R HA 0.865 5.211 4.340 0.010 0.000 0.303 245 R C -0.877 175.064 176.300 -0.598 0.000 0.968 245 R CA -0.612 55.082 56.100 -0.676 0.000 0.889 245 R CB 2.065 31.613 30.300 -1.254 0.000 1.123 245 R HN 0.739 nan 8.270 nan 0.000 0.455 246 A N 2.609 125.219 122.820 -0.350 0.000 2.587 246 A HA 0.730 5.057 4.320 0.010 0.000 0.293 246 A C -1.741 175.942 177.584 0.165 0.000 1.087 246 A CA -0.746 51.307 52.037 0.027 0.000 0.692 246 A CB 1.476 20.577 19.000 0.168 0.000 1.291 246 A HN 0.546 nan 8.150 nan 0.000 0.407 247 L N -1.763 119.448 121.223 -0.021 0.000 2.518 247 L HA 1.065 5.411 4.340 0.010 0.000 0.257 247 L C -0.237 176.010 176.870 -1.038 0.000 0.980 247 L CA 0.071 54.616 54.840 -0.493 0.000 0.837 247 L CB 1.626 43.617 42.059 -0.114 0.000 1.410 247 L HN 1.767 nan 8.230 nan 0.000 0.410 248 G N -0.038 107.770 108.800 -1.653 0.000 2.547 248 G HA2 0.521 4.488 3.960 0.010 0.000 0.291 248 G HA3 0.521 4.488 3.960 0.010 0.000 0.291 248 G C -2.394 171.869 174.900 -1.062 0.000 1.471 248 G CA -0.609 43.761 45.100 -1.216 0.000 0.798 248 G HN 0.546 nan 8.290 nan 0.000 0.504 249 Y N 0.935 121.173 120.300 -0.104 0.000 2.842 249 Y HA 0.596 5.154 4.550 0.013 0.000 0.334 249 Y C 0.882 176.823 175.900 0.067 0.000 1.019 249 Y CA -1.043 57.047 58.100 -0.017 0.000 1.258 249 Y CB 1.537 39.973 38.460 -0.039 0.000 1.106 249 Y HN 0.446 nan 8.280 nan 0.000 0.545 250 S N 4.919 120.742 115.700 0.205 0.000 2.533 250 S HA 0.145 4.621 4.470 0.010 0.000 0.282 250 S C -1.421 173.268 174.600 0.150 0.000 1.304 250 S CA -1.045 57.275 58.200 0.200 0.000 1.063 250 S CB 0.737 64.072 63.200 0.225 0.000 0.881 250 S HN 0.463 nan 8.310 nan 0.000 0.493 251 P HA 0.141 nan 4.420 nan 0.000 0.257 251 P C -0.377 176.969 177.300 0.076 0.000 1.241 251 P CA 0.337 63.504 63.100 0.112 0.000 0.816 251 P CB -0.039 31.731 31.700 0.118 0.000 1.150 252 E N -0.695 119.543 120.200 0.064 0.000 2.380 252 E HA 0.301 4.657 4.350 0.010 0.000 0.281 252 E C -1.415 175.220 176.600 0.059 0.000 0.999 252 E CA -0.962 55.467 56.400 0.049 0.000 0.800 252 E CB 0.602 30.314 29.700 0.021 0.000 1.228 252 E HN -0.157 nan 8.360 nan 0.000 0.436 253 L N 2.723 123.981 121.223 0.059 0.000 2.319 253 L HA 0.176 4.522 4.340 0.010 0.000 0.280 253 L C 1.324 178.228 176.870 0.057 0.000 1.099 253 L CA -0.370 54.511 54.840 0.068 0.000 0.828 253 L CB 1.415 43.513 42.059 0.065 0.000 1.150 253 L HN 0.631 nan 8.230 nan 0.000 0.442 254 V N 2.488 122.441 119.914 0.064 0.000 2.535 254 V HA 0.031 4.157 4.120 0.010 0.000 0.246 254 V C 0.649 176.797 176.094 0.090 0.000 1.045 254 V CA 1.473 63.809 62.300 0.060 0.000 1.058 254 V CB 0.415 32.259 31.823 0.034 0.000 0.689 254 V HN 0.917 nan 8.190 nan 0.000 0.461 255 T N 0.607 115.218 114.554 0.095 0.000 3.105 255 T HA 0.732 5.089 4.350 0.010 0.000 0.321 255 T C -0.947 173.783 174.700 0.049 0.000 1.135 255 T CA 0.214 62.359 62.100 0.075 0.000 1.053 255 T CB 1.488 70.410 68.868 0.090 0.000 1.133 255 T HN 0.513 nan 8.240 nan 0.000 0.463 256 A N 2.259 125.100 122.820 0.035 0.000 2.393 256 A HA 0.872 5.199 4.320 0.010 0.000 0.306 256 A C -1.032 176.555 177.584 0.005 0.000 1.050 256 A CA -0.714 51.334 52.037 0.018 0.000 0.724 256 A CB 1.417 20.433 19.000 0.026 0.000 1.248 256 A HN 0.687 nan 8.150 nan 0.000 0.424 257 V N 3.425 123.330 119.914 -0.014 0.000 2.444 257 V HA 0.428 4.554 4.120 0.010 0.000 0.294 257 V C 0.172 176.249 176.094 -0.027 0.000 1.022 257 V CA -0.651 61.637 62.300 -0.020 0.000 0.850 257 V CB 1.490 33.294 31.823 -0.032 0.000 0.992 257 V HN 0.993 nan 8.190 nan 0.000 0.426 258 R N 2.558 123.046 120.500 -0.019 0.000 2.543 258 R HA 0.564 4.910 4.340 0.010 0.000 0.268 258 R C 1.385 177.669 176.300 -0.027 0.000 1.067 258 R CA 0.010 56.098 56.100 -0.021 0.000 1.142 258 R CB 1.012 31.305 30.300 -0.010 0.000 1.110 258 R HN 0.794 nan 8.270 nan 0.000 0.549 259 A N 1.317 124.120 122.820 -0.028 0.000 2.019 259 A HA -0.184 4.142 4.320 0.010 0.000 0.219 259 A C 1.322 178.892 177.584 -0.022 0.000 1.164 259 A CA 1.890 53.909 52.037 -0.030 0.000 0.644 259 A CB -0.435 18.547 19.000 -0.029 0.000 0.805 259 A HN 0.839 nan 8.150 nan 0.000 0.449 260 D N -2.051 118.339 120.400 -0.016 0.000 2.349 260 D HA 0.245 4.891 4.640 0.010 0.000 0.224 260 D C 1.158 177.452 176.300 -0.011 0.000 1.029 260 D CA 0.989 54.983 54.000 -0.012 0.000 0.879 260 D CB -0.562 40.234 40.800 -0.007 0.000 0.906 260 D HN 0.784 nan 8.370 nan 0.000 0.528 261 G N -0.631 108.161 108.800 -0.014 0.000 2.175 261 G HA2 -0.248 3.718 3.960 0.010 0.000 0.244 261 G HA3 -0.248 3.718 3.960 0.010 0.000 0.244 261 G C 0.150 175.046 174.900 -0.007 0.000 0.982 261 G CA 0.099 45.192 45.100 -0.012 0.000 0.641 261 G HN 0.377 nan 8.290 nan 0.000 0.527 262 V N 1.181 121.093 119.914 -0.004 0.000 2.555 262 V HA 0.496 4.622 4.120 0.010 0.000 0.286 262 V C 0.734 176.830 176.094 0.003 0.000 1.044 262 V CA -0.236 62.065 62.300 0.001 0.000 1.026 262 V CB 1.617 33.443 31.823 0.004 0.000 0.981 262 V HN 0.303 nan 8.190 nan 0.000 0.480 263 V N 6.274 126.193 119.914 0.008 0.000 2.495 263 V HA 0.551 4.677 4.120 0.010 0.000 0.298 263 V C -0.312 175.795 176.094 0.021 0.000 1.031 263 V CA -0.606 61.702 62.300 0.013 0.000 0.871 263 V CB 1.896 33.728 31.823 0.014 0.000 0.988 263 V HN 0.560 nan 8.190 nan 0.000 0.432 264 I N 3.036 123.622 120.570 0.027 0.000 2.608 264 I HA 0.663 4.839 4.170 0.010 0.000 0.295 264 I C -0.043 176.099 176.117 0.042 0.000 1.049 264 I CA -0.122 61.198 61.300 0.034 0.000 1.063 264 I CB 2.167 40.187 38.000 0.032 0.000 1.248 264 I HN 0.716 nan 8.210 nan 0.000 0.424 265 T N 4.356 118.938 114.554 0.046 0.000 2.900 265 T HA 0.506 4.862 4.350 0.010 0.000 0.303 265 T C -1.142 173.589 174.700 0.051 0.000 1.142 265 T CA -0.430 61.700 62.100 0.050 0.000 1.007 265 T CB 1.326 70.224 68.868 0.050 0.000 1.156 265 T HN 0.601 nan 8.240 nan 0.000 0.490 266 E N 3.817 124.046 120.200 0.048 0.000 3.108 266 E HA 0.271 4.628 4.350 0.010 0.000 0.228 266 E C -2.607 174.021 176.600 0.046 0.000 1.176 266 E CA -1.827 54.605 56.400 0.055 0.000 0.881 266 E CB 1.397 31.130 29.700 0.054 0.000 1.354 266 E HN 0.410 nan 8.360 nan 0.000 0.400 267 P HA 0.095 nan 4.420 nan 0.000 0.271 267 P C -0.725 176.613 177.300 0.063 0.000 1.220 267 P CA -0.361 62.748 63.100 0.015 0.000 0.768 267 P CB 0.946 32.628 31.700 -0.029 0.000 0.848 268 L N 3.647 124.887 121.223 0.029 0.000 2.322 268 L HA 0.740 5.086 4.340 0.010 0.000 0.281 268 L C 0.134 177.031 176.870 0.044 0.000 1.014 268 L CA -0.273 54.598 54.840 0.052 0.000 0.815 268 L CB 1.474 43.468 42.059 -0.107 0.000 1.247 268 L HN 0.511 nan 8.230 nan 0.000 0.421 269 A N 2.423 125.362 122.820 0.198 0.000 2.491 269 A HA 0.797 5.124 4.320 0.010 0.000 0.293 269 A C -0.281 177.448 177.584 0.243 0.000 1.047 269 A CA -0.023 52.120 52.037 0.177 0.000 0.735 269 A CB 1.413 20.487 19.000 0.124 0.000 1.281 269 A HN 1.252 nan 8.150 nan 0.000 0.398 270 G N 1.287 110.192 108.800 0.175 0.000 3.434 270 G HA2 0.439 4.405 3.960 0.010 0.000 0.686 270 G HA3 0.439 4.405 3.960 0.010 0.000 0.686 270 G C -0.640 174.370 174.900 0.183 0.000 1.099 270 G CA -0.187 45.000 45.100 0.145 0.000 0.931 270 G HN 1.354 nan 8.290 nan 0.000 0.520 271 T N 3.610 118.258 114.554 0.156 0.000 2.886 271 T HA 0.842 5.198 4.350 0.010 0.000 0.292 271 T C 0.004 174.724 174.700 0.032 0.000 1.012 271 T CA -0.864 61.317 62.100 0.134 0.000 0.982 271 T CB 1.862 70.857 68.868 0.212 0.000 1.018 271 T HN 0.667 nan 8.240 nan 0.000 0.451 272 R N 0.747 121.224 120.500 -0.039 0.000 2.888 272 R HA 0.809 5.155 4.340 0.010 0.000 0.264 272 R C -0.347 175.911 176.300 -0.070 0.000 1.045 272 R CA -0.995 55.083 56.100 -0.036 0.000 0.962 272 R CB 1.436 31.717 30.300 -0.032 0.000 1.210 272 R HN 0.765 nan 8.270 nan 0.000 0.479 273 A N 1.099 123.892 122.820 -0.044 0.000 2.466 273 A HA 0.358 4.684 4.320 0.010 0.000 0.238 273 A C -0.417 177.132 177.584 -0.058 0.000 1.074 273 A CA 0.161 52.169 52.037 -0.048 0.000 0.774 273 A CB 0.197 19.181 19.000 -0.027 0.000 1.015 273 A HN 0.462 nan 8.150 nan 0.000 0.498 274 L N 0.366 121.555 121.223 -0.056 0.000 2.359 274 L HA 0.736 5.082 4.340 0.010 0.000 0.256 274 L C 0.823 177.678 176.870 -0.025 0.000 1.026 274 L CA 1.010 55.821 54.840 -0.047 0.000 0.828 274 L CB 1.967 43.987 42.059 -0.065 0.000 1.406 274 L HN 1.697 nan 8.230 nan 0.000 0.413 275 G N 1.665 110.457 108.800 -0.014 0.000 2.141 275 G HA2 -0.248 3.718 3.960 0.010 0.000 0.242 275 G HA3 -0.248 3.718 3.960 0.010 0.000 0.242 275 G C 0.724 175.625 174.900 0.002 0.000 0.982 275 G CA 0.529 45.631 45.100 0.004 0.000 0.662 275 G HN 0.613 nan 8.290 nan 0.000 0.527 276 R N 0.236 120.732 120.500 -0.007 0.000 2.334 276 R HA 0.476 4.822 4.340 0.010 0.000 0.216 276 R C 1.124 177.421 176.300 -0.005 0.000 0.905 276 R CA 0.584 56.680 56.100 -0.008 0.000 1.064 276 R CB 0.579 30.872 30.300 -0.011 0.000 1.046 276 R HN 1.396 nan 8.270 nan 0.000 0.508 277 G N 0.853 109.651 108.800 -0.004 0.000 2.528 277 G HA2 -0.104 3.862 3.960 0.010 0.000 0.681 277 G HA3 -0.104 3.862 3.960 0.010 0.000 0.681 277 G C -2.675 172.221 174.900 -0.007 0.000 1.340 277 G CA -1.178 43.919 45.100 -0.004 0.000 0.855 277 G HN -0.226 nan 8.290 nan 0.000 0.649 278 P HA -0.001 nan 4.420 nan 0.000 0.216 278 P C 2.183 179.478 177.300 -0.010 0.000 1.153 278 P CA 2.540 65.635 63.100 -0.009 0.000 0.848 278 P CB 0.192 31.887 31.700 -0.009 0.000 0.787 279 A N -0.998 121.817 122.820 -0.008 0.000 1.929 279 A HA -0.105 4.221 4.320 0.010 0.000 0.216 279 A C 2.201 179.780 177.584 -0.008 0.000 1.176 279 A CA 1.153 53.185 52.037 -0.008 0.000 0.628 279 A CB -1.497 17.500 19.000 -0.006 0.000 0.816 279 A HN 0.095 nan 8.150 nan 0.000 0.444 280 I N -0.132 120.433 120.570 -0.008 0.000 2.252 280 I HA -0.200 3.976 4.170 0.010 0.000 0.245 280 I C 1.733 177.843 176.117 -0.012 0.000 1.102 280 I CA 1.298 62.593 61.300 -0.009 0.000 1.385 280 I CB -0.305 37.690 38.000 -0.008 0.000 1.064 280 I HN 0.203 nan 8.210 nan 0.000 0.414 281 D N 0.387 120.778 120.400 -0.014 0.000 2.144 281 D HA -0.199 4.447 4.640 0.010 0.000 0.199 281 D C 2.198 178.486 176.300 -0.020 0.000 0.984 281 D CA 0.991 54.979 54.000 -0.020 0.000 0.834 281 D CB -0.193 40.595 40.800 -0.021 0.000 0.955 281 D HN 0.089 nan 8.370 nan 0.000 0.465 282 R N 0.634 121.124 120.500 -0.016 0.000 2.075 282 R HA 0.012 4.358 4.340 0.010 0.000 0.232 282 R C 2.257 178.548 176.300 -0.014 0.000 1.126 282 R CA 0.823 56.913 56.100 -0.016 0.000 0.963 282 R CB -0.739 29.553 30.300 -0.013 0.000 0.858 282 R HN 0.165 nan 8.270 nan 0.000 0.435 283 L N -0.112 121.104 121.223 -0.011 0.000 2.012 283 L HA -0.178 4.168 4.340 0.010 0.000 0.210 283 L C 2.495 179.358 176.870 -0.011 0.000 1.073 283 L CA 1.626 56.460 54.840 -0.009 0.000 0.748 283 L CB -0.697 41.358 42.059 -0.007 0.000 0.891 283 L HN 0.360 nan 8.230 nan 0.000 0.431 284 A N -0.284 122.527 122.820 -0.014 0.000 1.902 284 A HA -0.244 4.082 4.320 0.010 0.000 0.217 284 A C 2.446 180.016 177.584 -0.022 0.000 1.181 284 A CA 1.729 53.756 52.037 -0.017 0.000 0.623 284 A CB -0.598 18.389 19.000 -0.022 0.000 0.818 284 A HN 0.345 nan 8.150 nan 0.000 0.443 285 R N -0.350 120.134 120.500 -0.026 0.000 2.083 285 R HA -0.182 4.164 4.340 0.010 0.000 0.237 285 R C 1.385 177.669 176.300 -0.027 0.000 1.137 285 R CA 2.000 58.081 56.100 -0.031 0.000 0.951 285 R CB -0.411 29.870 30.300 -0.031 0.000 0.851 285 R HN 0.445 nan 8.270 nan 0.000 0.434 286 D N 0.387 120.775 120.400 -0.020 0.000 2.144 286 D HA -0.159 4.487 4.640 0.010 0.000 0.200 286 D C 1.494 177.786 176.300 -0.013 0.000 0.978 286 D CA 1.232 55.222 54.000 -0.016 0.000 0.833 286 D CB -0.494 40.300 40.800 -0.011 0.000 0.961 286 D HN 0.310 nan 8.370 nan 0.000 0.470 287 D N 0.233 120.627 120.400 -0.011 0.000 2.092 287 D HA -0.157 4.489 4.640 0.010 0.000 0.193 287 D C 2.032 178.327 176.300 -0.008 0.000 0.994 287 D CA 0.604 54.600 54.000 -0.006 0.000 0.828 287 D CB -0.275 40.524 40.800 -0.003 0.000 0.963 287 D HN 0.091 nan 8.370 nan 0.000 0.450 288 L N 1.018 122.231 121.223 -0.016 0.000 2.017 288 L HA -0.074 4.272 4.340 0.010 0.000 0.208 288 L C 2.024 178.874 176.870 -0.033 0.000 1.073 288 L CA 1.840 56.668 54.840 -0.020 0.000 0.745 288 L CB -0.700 41.342 42.059 -0.028 0.000 0.894 288 L HN 0.086 nan 8.230 nan 0.000 0.432 289 E N -1.265 118.910 120.200 -0.041 0.000 2.338 289 E HA -0.074 4.282 4.350 0.010 0.000 0.197 289 E C 1.226 177.804 176.600 -0.036 0.000 1.007 289 E CA 0.979 57.346 56.400 -0.054 0.000 0.849 289 E CB 0.065 29.734 29.700 -0.051 0.000 0.774 289 E HN 0.445 nan 8.360 nan 0.000 0.506 290 S N 0.255 115.945 115.700 -0.018 0.000 2.730 290 S HA 0.067 4.543 4.470 0.010 0.000 0.244 290 S C -0.045 174.557 174.600 0.005 0.000 1.022 290 S CA -0.427 57.770 58.200 -0.005 0.000 1.014 290 S CB 0.100 63.299 63.200 -0.001 0.000 0.963 290 S HN 0.152 nan 8.310 nan 0.000 0.540 291 N N 1.127 119.830 118.700 0.005 0.000 2.408 291 N HA 0.216 4.962 4.740 0.010 0.000 0.257 291 N C 0.951 176.476 175.510 0.026 0.000 1.064 291 N CA -0.046 53.013 53.050 0.015 0.000 0.952 291 N CB 0.677 39.174 38.487 0.016 0.000 1.093 291 N HN -0.126 nan 8.380 nan 0.000 0.490 292 S N 3.078 118.796 115.700 0.031 0.000 2.370 292 S HA -0.173 4.303 4.470 0.010 0.000 0.226 292 S C 1.452 176.083 174.600 0.052 0.000 1.033 292 S CA 1.206 59.430 58.200 0.041 0.000 1.011 292 S CB -0.090 63.133 63.200 0.039 0.000 0.852 292 S HN 0.640 nan 8.310 nan 0.000 0.457 293 K N 0.785 121.214 120.400 0.049 0.000 2.057 293 K HA -0.082 4.244 4.320 0.010 0.000 0.207 293 K C 2.116 178.759 176.600 0.072 0.000 1.049 293 K CA 1.135 57.457 56.287 0.059 0.000 0.931 293 K CB -0.080 32.449 32.500 0.049 0.000 0.714 293 K HN 0.246 nan 8.250 nan 0.000 0.440 294 E N 0.752 120.990 120.200 0.064 0.000 2.112 294 E HA -0.076 4.280 4.350 0.010 0.000 0.190 294 E C 2.096 178.751 176.600 0.093 0.000 0.979 294 E CA 0.796 57.241 56.400 0.075 0.000 0.814 294 E CB -0.102 29.627 29.700 0.049 0.000 0.762 294 E HN 0.329 nan 8.360 nan 0.000 0.460 295 I N 0.609 121.221 120.570 0.070 0.000 2.179 295 I HA -0.238 3.938 4.170 0.010 0.000 0.242 295 I C 2.405 178.601 176.117 0.133 0.000 1.088 295 I CA 0.744 62.091 61.300 0.080 0.000 1.357 295 I CB -0.241 37.792 38.000 0.054 0.000 1.051 295 I HN -0.079 nan 8.210 nan 0.000 0.409 296 V N 0.551 120.534 119.914 0.114 0.000 2.295 296 V HA -0.289 3.837 4.120 0.010 0.000 0.246 296 V C 2.498 178.673 176.094 0.136 0.000 1.049 296 V CA 2.141 64.512 62.300 0.119 0.000 1.024 296 V CB -0.576 31.308 31.823 0.102 0.000 0.648 296 V HN 0.406 nan 8.190 nan 0.000 0.447 297 E N -0.399 119.888 120.200 0.145 0.000 2.150 297 E HA -0.213 4.143 4.350 0.010 0.000 0.193 297 E C 2.036 178.712 176.600 0.128 0.000 0.985 297 E CA 1.366 57.861 56.400 0.158 0.000 0.814 297 E CB -0.343 29.448 29.700 0.152 0.000 0.752 297 E HN 0.779 nan 8.360 nan 0.000 0.466 298 H N -0.609 118.504 119.070 0.072 0.000 2.357 298 H HA 0.073 4.636 4.556 0.010 0.000 0.301 298 H C 1.754 177.144 175.328 0.104 0.000 1.082 298 H CA 1.970 58.050 56.048 0.053 0.000 1.342 298 H CB -0.200 29.552 29.762 -0.016 0.000 1.389 298 H HN 0.209 nan 8.280 nan 0.000 0.511 299 A N 0.485 123.415 122.820 0.184 0.000 1.933 299 A HA -0.110 4.216 4.320 0.010 0.000 0.218 299 A C 2.494 180.128 177.584 0.084 0.000 1.175 299 A CA 1.600 53.772 52.037 0.224 0.000 0.628 299 A CB -0.763 18.388 19.000 0.251 0.000 0.814 299 A HN 0.518 nan 8.150 nan 0.000 0.444 300 I N -0.296 120.300 120.570 0.044 0.000 2.252 300 I HA -0.208 3.968 4.170 0.010 0.000 0.245 300 I C 2.610 178.709 176.117 -0.031 0.000 1.102 300 I CA 1.359 62.652 61.300 -0.011 0.000 1.385 300 I CB -0.221 37.755 38.000 -0.041 0.000 1.064 300 I HN 0.228 nan 8.210 nan 0.000 0.414 301 S N 0.284 115.954 115.700 -0.050 0.000 2.368 301 S HA -0.128 4.348 4.470 0.010 0.000 0.225 301 S C 2.096 176.640 174.600 -0.093 0.000 1.030 301 S CA 1.114 59.265 58.200 -0.081 0.000 0.999 301 S CB -0.241 62.883 63.200 -0.127 0.000 0.844 301 S HN 0.217 nan 8.310 nan 0.000 0.459 302 V N 1.922 121.767 119.914 -0.115 0.000 2.307 302 V HA -0.166 3.960 4.120 0.010 0.000 0.245 302 V C 2.499 178.594 176.094 0.002 0.000 1.045 302 V CA 1.898 64.184 62.300 -0.023 0.000 1.024 302 V CB -0.623 31.271 31.823 0.118 0.000 0.651 302 V HN 0.389 nan 8.190 nan 0.000 0.449 303 R N 0.158 120.657 120.500 -0.001 0.000 2.096 303 R HA -0.189 4.158 4.340 0.010 0.000 0.240 303 R C 2.459 178.753 176.300 -0.009 0.000 1.139 303 R CA 2.186 58.280 56.100 -0.010 0.000 0.952 303 R CB -0.353 29.938 30.300 -0.016 0.000 0.854 303 R HN 0.512 nan 8.270 nan 0.000 0.436 304 S N -0.239 115.453 115.700 -0.014 0.000 2.355 304 S HA -0.140 4.337 4.470 0.010 0.000 0.222 304 S C 1.918 176.523 174.600 0.008 0.000 1.031 304 S CA 1.390 59.586 58.200 -0.006 0.000 0.993 304 S CB -0.316 62.877 63.200 -0.012 0.000 0.859 304 S HN 0.426 nan 8.310 nan 0.000 0.453 305 S N 1.076 116.778 115.700 0.003 0.000 2.383 305 S HA -0.017 4.460 4.470 0.010 0.000 0.229 305 S C 1.770 176.385 174.600 0.025 0.000 1.030 305 S CA 0.911 59.121 58.200 0.017 0.000 1.002 305 S CB -0.427 62.780 63.200 0.010 0.000 0.829 305 S HN 0.399 nan 8.310 nan 0.000 0.467 306 L N 0.748 121.981 121.223 0.017 0.000 2.093 306 L HA -0.080 4.266 4.340 0.010 0.000 0.208 306 L C 2.568 179.448 176.870 0.017 0.000 1.085 306 L CA 1.406 56.255 54.840 0.016 0.000 0.755 306 L CB -0.403 41.658 42.059 0.005 0.000 0.904 306 L HN 0.394 nan 8.230 nan 0.000 0.435 307 E N -0.293 119.918 120.200 0.018 0.000 2.077 307 E HA -0.236 4.120 4.350 0.010 0.000 0.193 307 E C 2.028 178.651 176.600 0.037 0.000 0.989 307 E CA 1.185 57.599 56.400 0.023 0.000 0.800 307 E CB 0.012 29.726 29.700 0.024 0.000 0.746 307 E HN 0.517 nan 8.360 nan 0.000 0.452 308 E N 0.724 120.952 120.200 0.047 0.000 2.031 308 E HA -0.168 4.188 4.350 0.010 0.000 0.193 308 E C 2.173 178.805 176.600 0.053 0.000 0.994 308 E CA 0.764 57.203 56.400 0.066 0.000 0.800 308 E CB -0.095 29.654 29.700 0.082 0.000 0.752 308 E HN 0.229 nan 8.360 nan 0.000 0.447 309 I N 0.984 121.580 120.570 0.044 0.000 2.493 309 I HA -0.203 3.973 4.170 0.010 0.000 0.254 309 I C 1.791 177.924 176.117 0.026 0.000 1.160 309 I CA 0.976 62.298 61.300 0.037 0.000 1.445 309 I CB 0.089 38.109 38.000 0.034 0.000 1.086 309 I HN 0.093 nan 8.210 nan 0.000 0.433 310 T N 0.353 114.921 114.554 0.023 0.000 2.915 310 T HA -0.146 4.210 4.350 0.010 0.000 0.269 310 T C 1.351 176.059 174.700 0.014 0.000 1.071 310 T CA 1.200 63.309 62.100 0.016 0.000 1.132 310 T CB -0.279 68.596 68.868 0.013 0.000 0.878 310 T HN 0.371 nan 8.240 nan 0.000 0.479 311 D N 1.420 121.831 120.400 0.019 0.000 2.263 311 D HA -0.062 4.584 4.640 0.010 0.000 0.208 311 D C 1.575 177.880 176.300 0.007 0.000 0.971 311 D CA 0.804 54.812 54.000 0.013 0.000 0.867 311 D CB -0.065 40.745 40.800 0.018 0.000 0.929 311 D HN 0.568 nan 8.370 nan 0.000 0.492 312 I N -3.201 117.375 120.570 0.010 0.000 4.154 312 I HA 0.379 4.556 4.170 0.010 0.000 0.334 312 I C 0.399 176.517 176.117 0.003 0.000 1.371 312 I CA -1.043 60.260 61.300 0.004 0.000 1.110 312 I CB -0.062 37.942 38.000 0.007 0.000 1.085 312 I HN -0.232 nan 8.210 nan 0.000 0.398 313 A N 0.897 123.720 122.820 0.005 0.000 2.310 313 A HA 0.474 4.801 4.320 0.010 0.000 0.299 313 A C 0.204 177.789 177.584 0.001 0.000 1.147 313 A CA -0.397 51.643 52.037 0.004 0.000 0.818 313 A CB 0.128 19.132 19.000 0.007 0.000 1.096 313 A HN 0.405 nan 8.150 nan 0.000 0.495 314 E N 1.918 122.117 120.200 -0.001 0.000 2.529 314 E HA 0.039 4.396 4.350 0.010 0.000 0.259 314 E C -2.175 174.424 176.600 -0.001 0.000 0.966 314 E CA -0.901 55.497 56.400 -0.002 0.000 0.937 314 E CB 0.020 29.719 29.700 -0.002 0.000 0.923 314 E HN 0.351 nan 8.360 nan 0.000 0.468 315 P HA -0.060 nan 4.420 nan 0.000 0.262 315 P C 0.505 177.804 177.300 -0.002 0.000 1.182 315 P CA 0.927 64.026 63.100 -0.002 0.000 0.761 315 P CB 0.533 32.231 31.700 -0.002 0.000 0.795 316 G N 2.587 111.386 108.800 -0.002 0.000 2.184 316 G HA2 -0.309 3.658 3.960 0.010 0.000 0.264 316 G HA3 -0.309 3.658 3.960 0.010 0.000 0.264 316 G C 1.016 175.916 174.900 -0.001 0.000 0.975 316 G CA 0.613 45.711 45.100 -0.002 0.000 0.642 316 G HN 0.616 nan 8.290 nan 0.000 0.536 317 S N -0.802 114.898 115.700 0.000 0.000 2.524 317 S HA 0.653 5.129 4.470 0.010 0.000 0.216 317 S C 1.280 175.882 174.600 0.004 0.000 0.987 317 S CA 1.176 59.377 58.200 0.002 0.000 0.909 317 S CB 0.461 63.662 63.200 0.002 0.000 0.781 317 S HN 1.839 nan 8.310 nan 0.000 0.521 318 A N 1.389 124.212 122.820 0.004 0.000 2.409 318 A HA 0.772 5.098 4.320 0.010 0.000 0.267 318 A C 0.248 177.834 177.584 0.003 0.000 1.127 318 A CA 0.005 52.046 52.037 0.007 0.000 0.795 318 A CB 0.023 19.027 19.000 0.007 0.000 1.061 318 A HN 1.005 nan 8.150 nan 0.000 0.502 319 A N 2.215 125.040 122.820 0.008 0.000 2.539 319 A HA 0.639 4.965 4.320 0.010 0.000 0.296 319 A C -0.846 176.749 177.584 0.017 0.000 1.073 319 A CA -0.487 51.553 52.037 0.005 0.000 0.700 319 A CB 1.291 20.295 19.000 0.006 0.000 1.296 319 A HN 1.108 nan 8.150 nan 0.000 0.405 320 V N 3.002 122.923 119.914 0.012 0.000 2.385 320 V HA 0.229 4.356 4.120 0.010 0.000 0.269 320 V C 1.165 177.295 176.094 0.060 0.000 1.043 320 V CA 0.372 62.700 62.300 0.047 0.000 0.906 320 V CB 0.469 32.314 31.823 0.037 0.000 0.995 320 V HN 0.849 nan 8.190 nan 0.000 0.467 321 I N 0.095 120.710 120.570 0.075 0.000 3.783 321 I HA 0.462 4.638 4.170 0.010 0.000 0.310 321 I C 0.308 176.479 176.117 0.090 0.000 1.274 321 I CA 0.448 61.789 61.300 0.068 0.000 1.294 321 I CB 0.559 38.590 38.000 0.050 0.000 1.051 321 I HN 0.591 nan 8.210 nan 0.000 0.435 322 D N 0.666 121.142 120.400 0.127 0.000 2.890 322 D HA 0.370 5.016 4.640 0.010 0.000 0.233 322 D C -1.687 174.747 176.300 0.223 0.000 1.306 322 D CA -0.355 53.728 54.000 0.138 0.000 0.929 322 D CB 1.690 42.545 40.800 0.092 0.000 1.512 322 D HN 0.100 nan 8.370 nan 0.000 0.568 323 F N 5.626 125.608 119.950 0.055 0.000 2.445 323 F HA 0.440 4.973 4.527 0.010 0.000 0.348 323 F C 0.148 175.976 175.800 0.046 0.000 1.125 323 F CA -0.853 57.196 58.000 0.080 0.000 0.983 323 F CB 1.056 40.098 39.000 0.070 0.000 1.198 323 F HN 0.558 nan 8.300 nan 0.000 0.436 324 M N 4.719 123.992 119.600 -0.546 0.000 2.298 324 M HA -0.185 4.302 4.480 0.010 0.000 0.196 324 M C -1.138 174.896 176.300 -0.443 0.000 0.531 324 M CA 1.097 55.900 55.300 -0.828 0.000 0.459 324 M CB -1.154 30.690 32.600 -1.260 0.000 1.279 324 M HN 0.737 nan 8.290 nan 0.000 0.915 325 T N -1.788 112.613 114.554 -0.254 0.000 2.895 325 T HA 0.693 5.050 4.350 0.010 0.000 0.283 325 T C 0.237 174.866 174.700 -0.118 0.000 1.014 325 T CA -1.026 60.992 62.100 -0.137 0.000 1.037 325 T CB 2.045 70.880 68.868 -0.055 0.000 1.006 325 T HN 0.183 nan 8.240 nan 0.000 0.468 326 V N 3.476 123.339 119.914 -0.085 0.000 2.521 326 V HA 0.293 4.419 4.120 0.010 0.000 0.286 326 V C 0.682 176.762 176.094 -0.023 0.000 1.034 326 V CA -0.233 62.032 62.300 -0.058 0.000 1.045 326 V CB 0.027 31.817 31.823 -0.055 0.000 0.974 326 V HN 0.780 nan 8.190 nan 0.000 0.480 327 R N 4.093 124.597 120.500 0.006 0.000 2.360 327 R HA 0.403 4.749 4.340 0.010 0.000 0.318 327 R C -0.564 175.750 176.300 0.023 0.000 0.950 327 R CA -0.532 55.589 56.100 0.035 0.000 0.837 327 R CB 1.796 32.144 30.300 0.081 0.000 1.165 327 R HN 0.706 nan 8.270 nan 0.000 0.458 328 E N 3.130 123.330 120.200 -0.000 0.000 2.259 328 E HA 0.160 4.516 4.350 0.010 0.000 0.281 328 E C 0.072 176.670 176.600 -0.003 0.000 1.037 328 E CA -0.260 56.125 56.400 -0.025 0.000 0.854 328 E CB 1.003 30.687 29.700 -0.027 0.000 1.051 328 E HN 0.128 nan 8.360 nan 0.000 0.409 329 R N 2.531 123.018 120.500 -0.022 0.000 2.782 329 R HA 0.224 4.570 4.340 0.010 0.000 0.293 329 R C 0.545 176.845 176.300 -0.001 0.000 1.333 329 R CA 0.139 56.254 56.100 0.025 0.000 1.479 329 R CB 0.643 31.021 30.300 0.131 0.000 1.306 329 R HN 0.924 nan 8.270 nan 0.000 0.654 330 G N 1.235 110.021 108.800 -0.024 0.000 3.377 330 G HA2 -0.435 3.531 3.960 0.010 0.000 0.304 330 G HA3 -0.435 3.531 3.960 0.010 0.000 0.304 330 G C 0.805 175.702 174.900 -0.005 0.000 1.366 330 G CA 0.708 45.797 45.100 -0.018 0.000 1.020 330 G HN 0.436 nan 8.290 nan 0.000 0.621 331 S N 0.489 116.192 115.700 0.006 0.000 2.593 331 S HA 0.517 4.993 4.470 0.010 0.000 0.217 331 S C 0.756 175.329 174.600 -0.044 0.000 0.966 331 S CA 1.294 59.490 58.200 -0.005 0.000 0.914 331 S CB -0.041 63.163 63.200 0.007 0.000 0.776 331 S HN 2.164 nan 8.310 nan 0.000 0.523 332 V N -0.991 118.871 119.914 -0.085 0.000 3.147 332 V HA 0.721 4.848 4.120 0.010 0.000 0.306 332 V C -1.576 174.324 176.094 -0.325 0.000 1.209 332 V CA -1.263 60.918 62.300 -0.198 0.000 1.023 332 V CB 1.745 33.428 31.823 -0.233 0.000 1.059 332 V HN 0.442 nan 8.190 nan 0.000 0.435 333 Q N 1.181 120.741 119.800 -0.400 0.000 2.394 333 Q HA 0.721 5.068 4.340 0.010 0.000 0.273 333 Q C -1.557 174.171 176.000 -0.454 0.000 1.089 333 Q CA -0.887 54.700 55.803 -0.361 0.000 0.812 333 Q CB 2.883 31.527 28.738 -0.156 0.000 1.353 333 Q HN 0.903 nan 8.270 nan 0.000 0.438 334 H N 1.030 120.097 119.070 -0.007 0.000 2.865 334 H HA 0.451 5.013 4.556 0.010 0.000 0.372 334 H C -0.683 174.614 175.328 -0.052 0.000 1.173 334 H CA -0.873 55.171 56.048 -0.006 0.000 1.147 334 H CB 1.695 31.471 29.762 0.024 0.000 1.805 334 H HN 0.545 nan 8.280 nan 0.000 0.553 335 L N 1.280 122.528 121.223 0.042 0.000 2.331 335 L HA 0.451 4.797 4.340 0.010 0.000 0.278 335 L C 0.940 177.742 176.870 -0.114 0.000 1.106 335 L CA -0.192 54.530 54.840 -0.196 0.000 0.824 335 L CB 0.868 42.646 42.059 -0.469 0.000 1.142 335 L HN 0.642 nan 8.230 nan 0.000 0.443 336 G N 1.586 110.316 108.800 -0.116 0.000 2.571 336 G HA2 0.659 4.626 3.960 0.010 0.000 0.304 336 G HA3 0.659 4.626 3.960 0.010 0.000 0.304 336 G C -1.223 173.748 174.900 0.118 0.000 1.314 336 G CA -0.275 44.892 45.100 0.111 0.000 0.975 336 G HN 0.504 nan 8.290 nan 0.000 0.485 337 S N -0.814 115.042 115.700 0.261 0.000 2.634 337 S HA 0.843 5.319 4.470 0.010 0.000 0.296 337 S C -0.551 174.141 174.600 0.152 0.000 1.104 337 S CA -0.583 57.756 58.200 0.233 0.000 0.920 337 S CB 2.169 65.593 63.200 0.373 0.000 1.111 337 S HN 0.625 nan 8.310 nan 0.000 0.493 338 T N 1.757 116.393 114.554 0.138 0.000 2.840 338 T HA 0.565 4.921 4.350 0.010 0.000 0.287 338 T C -0.730 174.026 174.700 0.093 0.000 0.991 338 T CA -0.279 61.880 62.100 0.097 0.000 0.964 338 T CB 0.441 69.355 68.868 0.077 0.000 0.954 338 T HN 0.394 nan 8.240 nan 0.000 0.438 339 I N 2.758 123.372 120.570 0.074 0.000 2.441 339 I HA 0.593 4.770 4.170 0.010 0.000 0.295 339 I C 0.189 176.333 176.117 0.045 0.000 0.994 339 I CA -0.899 60.436 61.300 0.060 0.000 1.144 339 I CB 1.857 39.889 38.000 0.054 0.000 1.314 339 I HN 0.315 nan 8.210 nan 0.000 0.445 340 R N 4.557 125.079 120.500 0.037 0.000 2.807 340 R HA 0.923 5.269 4.340 0.010 0.000 0.276 340 R C -1.657 174.656 176.300 0.022 0.000 0.979 340 R CA -0.456 55.661 56.100 0.029 0.000 0.928 340 R CB 2.289 32.605 30.300 0.027 0.000 1.191 340 R HN 0.784 nan 8.270 nan 0.000 0.471 341 A N 2.648 125.479 122.820 0.018 0.000 2.602 341 A HA 0.569 4.895 4.320 0.010 0.000 0.290 341 A C -1.446 176.144 177.584 0.009 0.000 1.114 341 A CA -0.930 51.115 52.037 0.013 0.000 0.683 341 A CB 1.539 20.547 19.000 0.014 0.000 1.281 341 A HN 0.752 nan 8.150 nan 0.000 0.416 342 R N 0.224 120.727 120.500 0.006 0.000 2.346 342 R HA 0.478 4.824 4.340 0.010 0.000 0.311 342 R C -0.905 175.395 176.300 0.000 0.000 0.983 342 R CA -0.768 55.333 56.100 0.002 0.000 0.880 342 R CB 1.447 31.747 30.300 0.001 0.000 1.100 342 R HN 0.566 nan 8.270 nan 0.000 0.453 343 L N 2.684 123.906 121.223 -0.003 0.000 2.513 343 L HA 0.003 4.349 4.340 0.010 0.000 0.272 343 L C -0.072 176.793 176.870 -0.007 0.000 1.187 343 L CA 0.457 55.294 54.840 -0.006 0.000 0.895 343 L CB 0.235 42.288 42.059 -0.011 0.000 1.147 343 L HN 0.511 nan 8.230 nan 0.000 0.483 344 D N 5.930 126.326 120.400 -0.007 0.000 2.443 344 D HA 0.096 4.742 4.640 0.010 0.000 0.239 344 D C -1.644 174.650 176.300 -0.011 0.000 1.136 344 D CA -0.851 53.144 54.000 -0.008 0.000 0.879 344 D CB 1.214 42.009 40.800 -0.007 0.000 1.195 344 D HN 0.427 nan 8.370 nan 0.000 0.443 345 P HA -0.138 nan 4.420 nan 0.000 0.219 345 P C 0.931 178.221 177.300 -0.016 0.000 1.146 345 P CA 0.963 64.055 63.100 -0.014 0.000 0.808 345 P CB 0.022 31.714 31.700 -0.012 0.000 0.779 346 S N -2.976 112.716 115.700 -0.015 0.000 2.561 346 S HA 0.061 4.538 4.470 0.010 0.000 0.225 346 S C 1.173 175.761 174.600 -0.019 0.000 0.977 346 S CA 0.092 58.282 58.200 -0.016 0.000 0.926 346 S CB -0.596 62.595 63.200 -0.014 0.000 0.769 346 S HN -0.013 nan 8.310 nan 0.000 0.533 347 S N 1.097 116.786 115.700 -0.019 0.000 2.745 347 S HA 0.650 5.126 4.470 0.010 0.000 0.292 347 S C -1.120 173.464 174.600 -0.026 0.000 1.127 347 S CA -0.368 57.820 58.200 -0.021 0.000 1.007 347 S CB 1.173 64.364 63.200 -0.016 0.000 1.165 347 S HN 0.741 nan 8.310 nan 0.000 0.544 348 D N -1.456 118.926 120.400 -0.030 0.000 2.643 348 D HA 0.296 4.942 4.640 0.010 0.000 0.283 348 D C 0.605 176.882 176.300 -0.038 0.000 1.242 348 D CA -0.804 53.173 54.000 -0.037 0.000 0.863 348 D CB 0.331 41.104 40.800 -0.045 0.000 1.382 348 D HN 0.483 nan 8.370 nan 0.000 0.444 349 R N -0.469 120.001 120.500 -0.049 0.000 2.105 349 R HA -0.102 4.245 4.340 0.010 0.000 0.239 349 R C 1.313 177.581 176.300 -0.054 0.000 1.135 349 R CA 1.097 57.164 56.100 -0.054 0.000 0.967 349 R CB -0.538 29.717 30.300 -0.074 0.000 0.861 349 R HN 0.322 nan 8.270 nan 0.000 0.442 350 M N 1.026 120.589 119.600 -0.062 0.000 2.229 350 M HA 0.057 4.543 4.480 0.010 0.000 0.264 350 M C 2.476 178.769 176.300 -0.011 0.000 1.063 350 M CA 1.537 56.810 55.300 -0.046 0.000 1.114 350 M CB -0.864 31.702 32.600 -0.057 0.000 1.387 350 M HN 0.412 nan 8.290 nan 0.000 0.420 351 A N 0.325 123.129 122.820 -0.027 0.000 1.933 351 A HA 0.013 4.340 4.320 0.010 0.000 0.218 351 A C 2.442 180.027 177.584 0.003 0.000 1.175 351 A CA 1.940 53.964 52.037 -0.022 0.000 0.628 351 A CB -0.778 18.204 19.000 -0.029 0.000 0.814 351 A HN 0.458 nan 8.150 nan 0.000 0.444 352 A N -0.430 122.393 122.820 0.005 0.000 1.877 352 A HA -0.030 4.297 4.320 0.010 0.000 0.216 352 A C 2.116 179.737 177.584 0.061 0.000 1.186 352 A CA 1.690 53.742 52.037 0.024 0.000 0.620 352 A CB -0.694 18.313 19.000 0.012 0.000 0.822 352 A HN 0.595 nan 8.150 nan 0.000 0.443 353 L N 0.212 121.465 121.223 0.051 0.000 1.990 353 L HA -0.230 4.116 4.340 0.010 0.000 0.213 353 L C 2.315 179.304 176.870 0.198 0.000 1.072 353 L CA 2.608 57.506 54.840 0.096 0.000 0.755 353 L CB -0.740 41.294 42.059 -0.043 0.000 0.889 353 L HN 0.555 nan 8.230 nan 0.000 0.432 354 E N -0.772 119.520 120.200 0.153 0.000 2.085 354 E HA -0.269 4.088 4.350 0.010 0.000 0.194 354 E C 2.142 178.821 176.600 0.132 0.000 0.994 354 E CA 1.227 57.700 56.400 0.120 0.000 0.801 354 E CB -0.374 29.296 29.700 -0.051 0.000 0.743 354 E HN 0.662 nan 8.360 nan 0.000 0.453 355 A N 0.749 123.626 122.820 0.094 0.000 1.978 355 A HA -0.142 4.184 4.320 0.010 0.000 0.220 355 A C 2.001 179.681 177.584 0.160 0.000 1.170 355 A CA 1.152 53.246 52.037 0.095 0.000 0.636 355 A CB -0.316 18.722 19.000 0.063 0.000 0.810 355 A HN 0.161 nan 8.150 nan 0.000 0.448 356 L N -2.338 119.001 121.223 0.193 0.000 2.640 356 L HA 0.324 4.670 4.340 0.010 0.000 0.230 356 L C -0.024 176.988 176.870 0.235 0.000 1.123 356 L CA -0.377 54.574 54.840 0.185 0.000 0.900 356 L CB 0.164 42.315 42.059 0.153 0.000 1.146 356 L HN 0.282 nan 8.230 nan 0.000 0.484 357 F N 0.837 120.864 119.950 0.129 0.000 2.470 357 F HA 0.482 5.014 4.527 0.009 0.000 0.329 357 F C -1.912 173.981 175.800 0.154 0.000 1.072 357 F CA -2.628 55.455 58.000 0.138 0.000 0.989 357 F CB 1.199 40.322 39.000 0.204 0.000 1.193 357 F HN -0.238 nan 8.300 nan 0.000 0.481 358 P HA 0.099 nan 4.420 nan 0.000 0.269 358 P C -1.246 175.902 177.300 -0.254 0.000 1.217 358 P CA -0.362 62.477 63.100 -0.434 0.000 0.783 358 P CB 0.260 31.750 31.700 -0.349 0.000 0.898 359 A N 2.309 124.922 122.820 -0.346 0.000 2.580 359 A HA -0.035 4.291 4.320 0.010 0.000 0.244 359 A C 1.685 179.221 177.584 -0.079 0.000 1.045 359 A CA 0.085 52.026 52.037 -0.160 0.000 0.761 359 A CB -0.591 18.314 19.000 -0.158 0.000 0.962 359 A HN 0.530 nan 8.150 nan 0.000 0.512 360 V N 3.255 123.143 119.914 -0.042 0.000 2.392 360 V HA -0.210 3.917 4.120 0.010 0.000 0.249 360 V C 2.432 178.514 176.094 -0.019 0.000 1.059 360 V CA 3.080 65.363 62.300 -0.029 0.000 1.051 360 V CB -0.759 31.053 31.823 -0.018 0.000 0.658 360 V HN 1.182 nan 8.190 nan 0.000 0.455 361 T N -2.367 112.171 114.554 -0.027 0.000 3.148 361 T HA 0.279 4.636 4.350 0.010 0.000 0.253 361 T C 1.159 175.846 174.700 -0.022 0.000 1.134 361 T CA 0.774 62.862 62.100 -0.020 0.000 1.051 361 T CB 0.106 68.957 68.868 -0.028 0.000 0.959 361 T HN 0.621 nan 8.240 nan 0.000 0.525 362 A N 0.576 123.377 122.820 -0.033 0.000 2.538 362 A HA 0.649 4.975 4.320 0.010 0.000 0.269 362 A C 1.758 179.358 177.584 0.026 0.000 1.231 362 A CA 0.276 52.291 52.037 -0.036 0.000 0.948 362 A CB 0.182 19.113 19.000 -0.114 0.000 1.110 362 A HN 0.569 nan 8.150 nan 0.000 0.529 363 S N -1.779 113.948 115.700 0.046 0.000 4.163 363 S HA 0.731 5.208 4.470 0.010 0.000 0.164 363 S C 0.714 175.332 174.600 0.030 0.000 0.896 363 S CA 0.520 58.779 58.200 0.098 0.000 1.125 363 S CB 0.266 63.546 63.200 0.133 0.000 1.698 363 S HN 1.696 nan 8.310 nan 0.000 0.817 364 G N 0.292 109.086 108.800 -0.009 0.000 2.322 364 G HA2 0.514 4.481 3.960 0.010 0.000 0.295 364 G HA3 0.514 4.481 3.960 0.010 0.000 0.295 364 G C -2.323 172.567 174.900 -0.017 0.000 1.369 364 G CA -0.785 44.308 45.100 -0.013 0.000 0.821 364 G HN 0.611 nan 8.290 nan 0.000 0.536 365 I N 1.322 121.924 120.570 0.053 0.000 2.534 365 I HA 0.363 4.539 4.170 0.010 0.000 0.288 365 I C -2.430 173.780 176.117 0.155 0.000 1.077 365 I CA -2.192 59.155 61.300 0.079 0.000 1.051 365 I CB 3.113 41.186 38.000 0.122 0.000 1.234 365 I HN 0.195 nan 8.210 nan 0.000 0.425 366 P HA 0.110 nan 4.420 nan 0.000 0.270 366 P C 0.298 177.556 177.300 -0.070 0.000 1.223 366 P CA -0.404 62.706 63.100 0.017 0.000 0.785 366 P CB 0.887 32.609 31.700 0.038 0.000 0.923 367 K N 1.441 121.732 120.400 -0.180 0.000 2.026 367 K HA -0.133 4.193 4.320 0.010 0.000 0.208 367 K C 1.874 178.198 176.600 -0.460 0.000 1.048 367 K CA 1.956 57.987 56.287 -0.426 0.000 0.929 367 K CB -0.805 31.182 32.500 -0.855 0.000 0.713 367 K HN 0.495 nan 8.250 nan 0.000 0.439 368 A N 1.283 123.916 122.820 -0.311 0.000 1.873 368 A HA -0.075 4.251 4.320 0.010 0.000 0.215 368 A C 2.380 179.932 177.584 -0.054 0.000 1.186 368 A CA 1.968 53.944 52.037 -0.101 0.000 0.616 368 A CB -0.587 18.483 19.000 0.118 0.000 0.823 368 A HN 0.324 nan 8.150 nan 0.000 0.442 369 A N -0.564 122.236 122.820 -0.034 0.000 1.933 369 A HA 0.144 4.470 4.320 0.010 0.000 0.218 369 A C 2.354 179.823 177.584 -0.193 0.000 1.175 369 A CA 1.885 53.910 52.037 -0.020 0.000 0.628 369 A CB -1.243 17.820 19.000 0.105 0.000 0.814 369 A HN 0.694 nan 8.150 nan 0.000 0.444 370 G N -0.717 107.947 108.800 -0.228 0.000 2.394 370 G HA2 -0.044 3.922 3.960 0.010 0.000 0.215 370 G HA3 -0.044 3.922 3.960 0.010 0.000 0.215 370 G C 1.471 176.276 174.900 -0.157 0.000 1.165 370 G CA 1.133 46.034 45.100 -0.332 0.000 0.784 370 G HN 0.300 nan 8.290 nan 0.000 0.535 371 V N 0.627 120.513 119.914 -0.047 0.000 2.427 371 V HA -0.117 4.010 4.120 0.010 0.000 0.248 371 V C 2.686 178.942 176.094 0.271 0.000 1.051 371 V CA 1.892 64.284 62.300 0.154 0.000 1.048 371 V CB -0.132 31.756 31.823 0.108 0.000 0.666 371 V HN 0.373 nan 8.190 nan 0.000 0.456 372 E N 0.627 120.899 120.200 0.119 0.000 2.110 372 E HA -0.208 4.148 4.350 0.010 0.000 0.193 372 E C 2.297 178.978 176.600 0.134 0.000 0.988 372 E CA 1.468 57.941 56.400 0.121 0.000 0.804 372 E CB -0.141 29.558 29.700 -0.003 0.000 0.745 372 E HN 0.519 nan 8.360 nan 0.000 0.458 373 A N 1.230 124.035 122.820 -0.025 0.000 1.940 373 A HA -0.183 4.144 4.320 0.010 0.000 0.219 373 A C 2.307 179.916 177.584 0.042 0.000 1.176 373 A CA 1.414 53.416 52.037 -0.059 0.000 0.631 373 A CB -0.695 18.066 19.000 -0.397 0.000 0.814 373 A HN 0.311 nan 8.150 nan 0.000 0.446 374 I N -1.938 118.678 120.570 0.077 0.000 2.286 374 I HA -0.259 3.918 4.170 0.010 0.000 0.248 374 I C 2.187 178.360 176.117 0.093 0.000 1.115 374 I CA 1.270 62.612 61.300 0.069 0.000 1.392 374 I CB -0.370 37.659 38.000 0.049 0.000 1.065 374 I HN 0.330 nan 8.210 nan 0.000 0.418 375 F N 0.826 120.819 119.950 0.071 0.000 2.161 375 F HA -0.197 4.337 4.527 0.012 0.000 0.300 375 F C 2.655 178.479 175.800 0.041 0.000 1.089 375 F CA 1.448 59.490 58.000 0.071 0.000 1.282 375 F CB -0.230 38.816 39.000 0.078 0.000 1.010 375 F HN -0.081 nan 8.300 nan 0.000 0.485 376 R N -0.556 120.075 120.500 0.218 0.000 2.140 376 R HA 0.117 4.463 4.340 0.010 0.000 0.213 376 R C 1.468 177.817 176.300 0.081 0.000 1.059 376 R CA 0.830 57.009 56.100 0.131 0.000 1.000 376 R CB -0.027 30.340 30.300 0.112 0.000 0.910 376 R HN 0.305 nan 8.270 nan 0.000 0.455 377 L N -0.465 120.797 121.223 0.065 0.000 2.858 377 L HA 0.287 4.633 4.340 0.010 0.000 0.251 377 L C -0.347 176.536 176.870 0.021 0.000 1.149 377 L CA -0.196 54.667 54.840 0.038 0.000 0.955 377 L CB 0.489 42.571 42.059 0.038 0.000 1.289 377 L HN -0.047 nan 8.230 nan 0.000 0.542 378 D N -0.017 120.389 120.400 0.010 0.000 2.414 378 D HA 0.250 4.896 4.640 0.010 0.000 0.241 378 D C -0.470 175.811 176.300 -0.032 0.000 1.008 378 D CA -0.489 53.504 54.000 -0.011 0.000 1.001 378 D CB 1.432 42.200 40.800 -0.053 0.000 1.277 378 D HN -0.049 nan 8.370 nan 0.000 0.538 379 E N 0.522 120.696 120.200 -0.044 0.000 2.220 379 E HA 0.261 4.618 4.350 0.010 0.000 0.272 379 E C -0.610 175.932 176.600 -0.097 0.000 1.099 379 E CA 0.017 56.377 56.400 -0.066 0.000 0.907 379 E CB 0.361 30.011 29.700 -0.083 0.000 1.022 379 E HN 0.203 nan 8.360 nan 0.000 0.428 380 C N 4.402 123.649 119.300 -0.088 0.000 2.529 380 C HA 0.518 4.984 4.460 0.010 0.000 0.329 380 C C -1.754 173.202 174.990 -0.055 0.000 1.194 380 C CA -1.510 57.439 59.018 -0.115 0.000 1.779 380 C CB 0.625 28.245 27.740 -0.200 0.000 2.322 380 C HN 0.711 nan 8.230 nan 0.000 0.500 381 P HA 0.319 nan 4.420 nan 0.000 0.274 381 P C 0.318 177.602 177.300 -0.026 0.000 1.231 381 P CA -0.201 62.889 63.100 -0.018 0.000 0.790 381 P CB 0.808 32.554 31.700 0.078 0.000 0.951 382 R N 0.556 121.036 120.500 -0.034 0.000 2.115 382 R HA 0.050 4.396 4.340 0.010 0.000 0.226 382 R C 1.542 177.883 176.300 0.067 0.000 1.100 382 R CA 1.014 57.099 56.100 -0.024 0.000 0.980 382 R CB -0.694 29.488 30.300 -0.198 0.000 0.875 382 R HN 0.894 nan 8.270 nan 0.000 0.445 383 G N 0.925 109.815 108.800 0.149 0.000 2.596 383 G HA2 -0.382 3.584 3.960 0.010 0.000 0.304 383 G HA3 -0.382 3.584 3.960 0.010 0.000 0.304 383 G C 0.593 175.562 174.900 0.115 0.000 1.189 383 G CA 0.371 45.560 45.100 0.148 0.000 0.986 383 G HN 0.163 nan 8.290 nan 0.000 0.548 384 L N 0.150 121.275 121.223 -0.164 0.000 2.046 384 L HA 0.164 4.511 4.340 0.010 0.000 0.208 384 L C 1.809 178.712 176.870 0.055 0.000 1.077 384 L CA 1.789 56.535 54.840 -0.156 0.000 0.747 384 L CB -0.716 41.121 42.059 -0.370 0.000 0.896 384 L HN 0.523 nan 8.230 nan 0.000 0.432 385 Y N 1.157 121.391 120.300 -0.111 0.000 2.650 385 Y HA 0.120 4.675 4.550 0.009 0.000 0.331 385 Y C 1.349 177.277 175.900 0.047 0.000 1.165 385 Y CA -0.189 57.918 58.100 0.012 0.000 1.473 385 Y CB 0.216 38.646 38.460 -0.051 0.000 1.224 385 Y HN 0.373 nan 8.280 nan 0.000 0.533 386 S N 1.367 116.737 115.700 -0.550 0.000 3.084 386 S HA -0.209 4.267 4.470 0.010 0.000 0.277 386 S C 0.577 175.144 174.600 -0.055 0.000 1.295 386 S CA 0.663 58.612 58.200 -0.418 0.000 1.170 386 S CB -2.326 60.556 63.200 -0.529 0.000 1.412 386 S HN 1.394 nan 8.310 nan 0.000 0.669 387 G N 1.074 109.932 108.800 0.098 0.000 2.666 387 G HA2 0.811 4.777 3.960 0.010 0.000 0.207 387 G HA3 0.811 4.777 3.960 0.010 0.000 0.207 387 G C 0.023 175.061 174.900 0.229 0.000 1.481 387 G CA -0.211 45.064 45.100 0.291 0.000 1.071 387 G HN 1.717 nan 8.290 nan 0.000 0.572 388 A N -2.083 120.942 122.820 0.343 0.000 2.539 388 A HA 0.655 4.981 4.320 0.010 0.000 0.296 388 A C -1.264 176.362 177.584 0.070 0.000 1.073 388 A CA -0.413 51.739 52.037 0.192 0.000 0.700 388 A CB 1.849 21.017 19.000 0.279 0.000 1.296 388 A HN 0.886 nan 8.150 nan 0.000 0.405 389 V N 1.650 121.538 119.914 -0.044 0.000 2.427 389 V HA 0.597 4.723 4.120 0.010 0.000 0.286 389 V C -0.020 175.965 176.094 -0.183 0.000 1.034 389 V CA -0.267 61.947 62.300 -0.144 0.000 0.893 389 V CB 1.194 32.779 31.823 -0.396 0.000 0.982 389 V HN 1.178 nan 8.190 nan 0.000 0.452 390 V N 3.067 122.801 119.914 -0.300 0.000 2.823 390 V HA 0.781 4.907 4.120 0.010 0.000 0.312 390 V C -0.666 175.070 176.094 -0.596 0.000 1.072 390 V CA -0.853 61.206 62.300 -0.402 0.000 0.937 390 V CB 2.019 33.658 31.823 -0.307 0.000 1.013 390 V HN 0.897 nan 8.190 nan 0.000 0.430 391 M N 4.672 123.882 119.600 -0.649 0.000 2.151 391 M HA 0.706 5.193 4.480 0.010 0.000 0.290 391 M C -2.368 173.596 176.300 -0.560 0.000 0.965 391 M CA -0.467 54.367 55.300 -0.777 0.000 0.930 391 M CB 1.581 33.755 32.600 -0.711 0.000 1.560 391 M HN 0.795 nan 8.290 nan 0.000 0.438 392 L N 3.242 124.104 121.223 -0.602 0.000 2.334 392 L HA 0.705 5.051 4.340 0.010 0.000 0.276 392 L C -0.447 176.189 176.870 -0.390 0.000 1.014 392 L CA -0.262 54.334 54.840 -0.407 0.000 0.815 392 L CB 2.410 44.261 42.059 -0.348 0.000 1.268 392 L HN 0.657 nan 8.230 nan 0.000 0.428 393 S N 0.143 115.684 115.700 -0.265 0.000 2.566 393 S HA 0.559 5.035 4.470 0.010 0.000 0.298 393 S C 0.791 175.299 174.600 -0.154 0.000 1.083 393 S CA -0.204 57.869 58.200 -0.211 0.000 0.978 393 S CB 1.866 64.964 63.200 -0.171 0.000 1.073 393 S HN 0.715 nan 8.310 nan 0.000 0.491 394 A N 1.442 124.185 122.820 -0.127 0.000 2.019 394 A HA -0.124 4.202 4.320 0.010 0.000 0.219 394 A C 1.557 179.095 177.584 -0.077 0.000 1.164 394 A CA 1.781 53.760 52.037 -0.096 0.000 0.644 394 A CB -0.664 18.291 19.000 -0.075 0.000 0.805 394 A HN 0.866 nan 8.150 nan 0.000 0.449 395 D N -2.237 118.120 120.400 -0.073 0.000 2.363 395 D HA 0.255 4.901 4.640 0.010 0.000 0.226 395 D C 1.137 177.402 176.300 -0.059 0.000 1.020 395 D CA 1.101 55.067 54.000 -0.056 0.000 0.892 395 D CB -0.376 40.396 40.800 -0.046 0.000 0.900 395 D HN 0.716 nan 8.370 nan 0.000 0.531 396 G N -1.156 107.598 108.800 -0.076 0.000 2.229 396 G HA2 -0.108 3.858 3.960 0.010 0.000 0.189 396 G HA3 -0.108 3.858 3.960 0.010 0.000 0.189 396 G C 0.651 175.501 174.900 -0.084 0.000 1.000 396 G CA -0.128 44.927 45.100 -0.074 0.000 0.663 396 G HN 0.716 nan 8.290 nan 0.000 0.493 397 G N -0.025 108.720 108.800 -0.093 0.000 2.491 397 G HA2 0.581 4.547 3.960 0.010 0.000 0.238 397 G HA3 0.581 4.547 3.960 0.010 0.000 0.238 397 G C -0.521 174.303 174.900 -0.126 0.000 1.277 397 G CA 0.565 45.607 45.100 -0.096 0.000 0.851 397 G HN 1.216 nan 8.290 nan 0.000 0.573 398 L N 0.952 122.111 121.223 -0.108 0.000 2.470 398 L HA 0.675 5.021 4.340 0.010 0.000 0.268 398 L C -1.508 175.306 176.870 -0.092 0.000 0.964 398 L CA -0.985 53.777 54.840 -0.130 0.000 0.839 398 L CB 2.504 44.492 42.059 -0.118 0.000 1.276 398 L HN 0.543 nan 8.230 nan 0.000 0.403 399 D N 3.873 124.205 120.400 -0.113 0.000 2.620 399 D HA 0.770 5.416 4.640 0.010 0.000 0.252 399 D C -1.274 175.002 176.300 -0.040 0.000 1.207 399 D CA -0.050 53.933 54.000 -0.028 0.000 0.884 399 D CB 1.885 42.715 40.800 0.049 0.000 1.262 399 D HN 0.845 nan 8.370 nan 0.000 0.552 400 A N 2.829 125.667 122.820 0.031 0.000 2.363 400 A HA 0.717 5.043 4.320 0.010 0.000 0.296 400 A C -0.438 177.220 177.584 0.124 0.000 1.237 400 A CA -0.604 51.459 52.037 0.044 0.000 0.773 400 A CB 1.078 20.105 19.000 0.045 0.000 1.153 400 A HN 0.623 nan 8.150 nan 0.000 0.473 401 A N 2.282 125.211 122.820 0.181 0.000 2.328 401 A HA 0.582 4.909 4.320 0.010 0.000 0.284 401 A C -0.057 177.611 177.584 0.140 0.000 1.160 401 A CA -0.416 51.739 52.037 0.196 0.000 0.818 401 A CB 0.176 19.360 19.000 0.306 0.000 1.087 401 A HN 1.368 nan 8.150 nan 0.000 0.504 402 L N 2.702 123.986 121.223 0.102 0.000 2.462 402 L HA 0.255 4.601 4.340 0.010 0.000 0.272 402 L C 0.527 177.448 176.870 0.084 0.000 1.166 402 L CA 0.960 55.830 54.840 0.050 0.000 0.880 402 L CB 0.638 42.695 42.059 -0.003 0.000 1.142 402 L HN 0.632 nan 8.230 nan 0.000 0.473 403 T N 7.378 121.969 114.554 0.062 0.000 3.176 403 T HA 0.468 4.824 4.350 0.010 0.000 0.301 403 T C -0.031 174.738 174.700 0.116 0.000 1.115 403 T CA -0.052 62.131 62.100 0.138 0.000 1.027 403 T CB -0.679 68.251 68.868 0.104 0.000 1.063 403 T HN 0.399 nan 8.240 nan 0.000 0.669 404 L N 1.804 123.126 121.223 0.165 0.000 2.327 404 L HA 0.660 5.006 4.340 0.010 0.000 0.258 404 L C -0.009 176.985 176.870 0.207 0.000 1.024 404 L CA -1.658 53.291 54.840 0.182 0.000 0.825 404 L CB 1.392 43.506 42.059 0.091 0.000 1.386 404 L HN 0.247 nan 8.230 nan 0.000 0.417 405 R N -0.799 119.823 120.500 0.202 0.000 3.336 405 R HA -0.139 4.208 4.340 0.010 0.000 0.260 405 R C -0.765 175.549 176.300 0.024 0.000 1.032 405 R CA 0.773 56.954 56.100 0.136 0.000 0.693 405 R CB -2.538 27.870 30.300 0.180 0.000 1.134 405 R HN 0.733 nan 8.270 nan 0.000 0.433 406 A N -0.592 122.198 122.820 -0.050 0.000 2.469 406 A HA 0.934 5.260 4.320 0.010 0.000 0.299 406 A C -0.601 176.599 177.584 -0.640 0.000 1.098 406 A CA -0.013 51.835 52.037 -0.316 0.000 0.737 406 A CB 2.105 21.030 19.000 -0.125 0.000 1.312 406 A HN 0.596 nan 8.150 nan 0.000 0.414 407 A N 0.228 122.580 122.820 -0.779 0.000 2.374 407 A HA 0.847 5.174 4.320 0.010 0.000 0.317 407 A C -1.441 175.602 177.584 -0.902 0.000 1.094 407 A CA -0.409 51.156 52.037 -0.786 0.000 0.765 407 A CB 0.723 19.447 19.000 -0.461 0.000 1.268 407 A HN 0.927 nan 8.150 nan 0.000 0.438 408 Y N -0.269 119.777 120.300 -0.423 0.000 2.512 408 Y HA 0.680 5.233 4.550 0.005 0.000 0.348 408 Y C 0.002 175.690 175.900 -0.353 0.000 0.990 408 Y CA -0.656 57.096 58.100 -0.581 0.000 1.033 408 Y CB 2.135 39.770 38.460 -1.375 0.000 1.259 408 Y HN 0.721 nan 8.280 nan 0.000 0.461 409 Q N 2.026 121.818 119.800 -0.013 0.000 2.304 409 Q HA 0.781 5.127 4.340 0.010 0.000 0.270 409 Q C -2.286 173.785 176.000 0.119 0.000 1.035 409 Q CA -0.759 55.129 55.803 0.142 0.000 0.781 409 Q CB 2.187 31.026 28.738 0.169 0.000 1.261 409 Q HN 0.680 nan 8.270 nan 0.000 0.444 410 V N 3.598 123.707 119.914 0.325 0.000 2.668 410 V HA 0.692 4.818 4.120 0.010 0.000 0.304 410 V C 0.679 176.878 176.094 0.174 0.000 1.071 410 V CA 0.159 62.592 62.300 0.222 0.000 0.894 410 V CB 1.011 33.007 31.823 0.288 0.000 1.008 410 V HN 1.119 nan 8.190 nan 0.000 0.425 411 G N 4.415 113.274 108.800 0.099 0.000 2.583 411 G HA2 -0.165 3.801 3.960 0.010 0.000 0.292 411 G HA3 -0.165 3.801 3.960 0.010 0.000 0.292 411 G C 0.936 175.886 174.900 0.083 0.000 1.203 411 G CA 0.538 45.682 45.100 0.073 0.000 0.987 411 G HN 1.775 nan 8.290 nan 0.000 0.554 412 G N 0.172 109.015 108.800 0.071 0.000 3.233 412 G HA2 0.409 4.375 3.960 0.010 0.000 0.227 412 G HA3 0.409 4.375 3.960 0.010 0.000 0.227 412 G C 0.720 175.679 174.900 0.097 0.000 1.175 412 G CA 0.942 46.088 45.100 0.076 0.000 0.781 412 G HN 0.628 nan 8.290 nan 0.000 0.542 413 R N 0.752 121.335 120.500 0.138 0.000 2.338 413 R HA 0.482 4.828 4.340 0.010 0.000 0.317 413 R C -1.131 175.405 176.300 0.395 0.000 0.968 413 R CA -0.183 56.027 56.100 0.183 0.000 0.849 413 R CB 0.972 31.312 30.300 0.067 0.000 1.128 413 R HN 0.023 nan 8.270 nan 0.000 0.448 414 T N 5.181 119.939 114.554 0.340 0.000 2.824 414 T HA 0.523 4.879 4.350 0.010 0.000 0.282 414 T C -1.292 173.645 174.700 0.394 0.000 0.993 414 T CA -0.538 61.764 62.100 0.336 0.000 0.967 414 T CB 0.714 69.646 68.868 0.107 0.000 0.960 414 T HN 0.702 nan 8.240 nan 0.000 0.441 415 W N 2.735 124.061 121.300 0.044 0.000 3.146 415 W HA 0.744 5.406 4.660 0.003 0.000 0.319 415 W C -2.650 173.911 176.519 0.070 0.000 1.258 415 W CA -1.317 56.045 57.345 0.028 0.000 1.189 415 W CB 0.717 30.198 29.460 0.035 0.000 1.412 415 W HN 0.527 nan 8.180 nan 0.000 0.567 416 L N 2.594 123.901 121.223 0.139 0.000 2.313 416 L HA 0.766 5.112 4.340 0.010 0.000 0.268 416 L C -0.134 176.816 176.870 0.134 0.000 1.010 416 L CA -1.398 53.444 54.840 0.004 0.000 0.814 416 L CB 1.944 43.971 42.059 -0.053 0.000 1.304 416 L HN 0.668 nan 8.230 nan 0.000 0.441 417 R N 0.890 121.415 120.500 0.041 0.000 2.535 417 R HA 0.797 5.144 4.340 0.010 0.000 0.274 417 R C -1.941 174.233 176.300 -0.211 0.000 1.090 417 R CA -0.287 55.733 56.100 -0.133 0.000 0.930 417 R CB 2.092 32.213 30.300 -0.299 0.000 1.223 417 R HN 0.837 nan 8.270 nan 0.000 0.441 418 A N 1.938 124.614 122.820 -0.240 0.000 2.587 418 A HA 0.887 5.214 4.320 0.010 0.000 0.293 418 A C -1.132 176.385 177.584 -0.112 0.000 1.087 418 A CA -0.336 51.643 52.037 -0.096 0.000 0.692 418 A CB 2.024 20.973 19.000 -0.084 0.000 1.291 418 A HN 0.829 nan 8.150 nan 0.000 0.407 419 G N -1.225 107.612 108.800 0.062 0.000 2.866 419 G HA2 0.930 4.896 3.960 0.010 0.000 0.289 419 G HA3 0.930 4.896 3.960 0.010 0.000 0.289 419 G C -0.886 174.099 174.900 0.143 0.000 1.396 419 G CA -0.015 45.163 45.100 0.129 0.000 0.848 419 G HN 2.119 nan 8.290 nan 0.000 0.515 420 A N -1.388 121.565 122.820 0.222 0.000 2.589 420 A HA 0.780 5.106 4.320 0.010 0.000 0.296 420 A C -0.105 177.584 177.584 0.174 0.000 1.062 420 A CA 0.053 52.209 52.037 0.197 0.000 0.686 420 A CB 1.387 20.539 19.000 0.255 0.000 1.282 420 A HN 1.913 nan 8.150 nan 0.000 0.404 421 G N 1.365 110.241 108.800 0.126 0.000 2.360 421 G HA2 0.501 4.468 3.960 0.010 0.000 0.279 421 G HA3 0.501 4.468 3.960 0.010 0.000 0.279 421 G C -0.322 174.630 174.900 0.085 0.000 1.189 421 G CA -0.102 45.056 45.100 0.097 0.000 0.941 421 G HN 0.457 nan 8.290 nan 0.000 0.445 422 I N 3.999 124.612 120.570 0.071 0.000 2.339 422 I HA 0.434 4.610 4.170 0.010 0.000 0.290 422 I C 0.634 176.761 176.117 0.017 0.000 0.994 422 I CA -1.095 60.233 61.300 0.046 0.000 1.191 422 I CB 0.642 38.665 38.000 0.038 0.000 1.343 422 I HN 0.511 nan 8.210 nan 0.000 0.458 423 I N 1.463 122.018 120.570 -0.025 0.000 3.445 423 I HA 0.536 4.712 4.170 0.010 0.000 0.303 423 I C 1.127 177.189 176.117 -0.091 0.000 1.129 423 I CA -0.810 60.422 61.300 -0.113 0.000 0.989 423 I CB 1.531 39.437 38.000 -0.158 0.000 1.314 423 I HN 0.507 nan 8.210 nan 0.000 0.488 424 E N 0.483 120.609 120.200 -0.123 0.000 2.153 424 E HA -0.159 4.197 4.350 0.010 0.000 0.194 424 E C 1.155 177.727 176.600 -0.046 0.000 0.988 424 E CA 1.502 57.851 56.400 -0.085 0.000 0.811 424 E CB 0.160 29.814 29.700 -0.076 0.000 0.746 424 E HN 0.694 nan 8.360 nan 0.000 0.466 425 E N 0.372 120.553 120.200 -0.031 0.000 2.437 425 E HA 0.091 4.447 4.350 0.010 0.000 0.189 425 E C -0.377 176.224 176.600 0.001 0.000 1.054 425 E CA -0.381 56.014 56.400 -0.009 0.000 0.874 425 E CB 0.769 30.471 29.700 0.003 0.000 1.011 425 E HN 0.008 nan 8.360 nan 0.000 0.474 426 S N 1.416 117.115 115.700 -0.002 0.000 2.572 426 S HA 0.117 4.593 4.470 0.010 0.000 0.279 426 S C 0.106 174.715 174.600 0.015 0.000 1.341 426 S CA 0.019 58.228 58.200 0.015 0.000 1.043 426 S CB 0.827 64.038 63.200 0.017 0.000 0.887 426 S HN 0.161 nan 8.310 nan 0.000 0.516 427 E N 1.787 122.007 120.200 0.034 0.000 2.222 427 E HA 0.267 4.623 4.350 0.010 0.000 0.267 427 E C -1.939 174.697 176.600 0.059 0.000 0.884 427 E CA -2.147 54.273 56.400 0.034 0.000 0.764 427 E CB 1.521 31.243 29.700 0.036 0.000 1.169 427 E HN 0.213 nan 8.360 nan 0.000 0.413 428 P HA -0.215 nan 4.420 nan 0.000 0.215 428 P C 1.057 178.459 177.300 0.170 0.000 1.153 428 P CA 1.081 64.228 63.100 0.077 0.000 0.853 428 P CB 0.412 32.126 31.700 0.024 0.000 0.788 429 E N -0.124 120.145 120.200 0.115 0.000 2.031 429 E HA -0.224 4.132 4.350 0.010 0.000 0.193 429 E C 2.170 178.882 176.600 0.187 0.000 0.994 429 E CA 1.417 57.898 56.400 0.135 0.000 0.800 429 E CB -0.630 29.111 29.700 0.068 0.000 0.752 429 E HN -0.154 nan 8.360 nan 0.000 0.447 430 R N 0.734 121.317 120.500 0.139 0.000 2.096 430 R HA -0.097 4.250 4.340 0.010 0.000 0.235 430 R C 1.887 178.289 176.300 0.170 0.000 1.127 430 R CA 1.699 57.877 56.100 0.130 0.000 0.968 430 R CB -0.446 29.908 30.300 0.091 0.000 0.861 430 R HN 0.135 nan 8.270 nan 0.000 0.440 431 E N -0.228 120.102 120.200 0.216 0.000 2.072 431 E HA -0.179 4.177 4.350 0.010 0.000 0.191 431 E C 1.821 178.657 176.600 0.393 0.000 0.985 431 E CA 1.089 57.668 56.400 0.299 0.000 0.801 431 E CB -0.586 29.301 29.700 0.312 0.000 0.750 431 E HN 0.371 nan 8.360 nan 0.000 0.452 432 F N 2.146 122.294 119.950 0.331 0.000 2.126 432 F HA -0.207 4.326 4.527 0.011 0.000 0.299 432 F C 2.462 178.273 175.800 0.018 0.000 1.096 432 F CA 1.971 60.060 58.000 0.149 0.000 1.255 432 F CB 0.051 39.160 39.000 0.180 0.000 0.997 432 F HN 0.045 nan 8.300 nan 0.000 0.479 433 E N 0.128 120.456 120.200 0.214 0.000 2.085 433 E HA -0.318 4.038 4.350 0.010 0.000 0.194 433 E C 2.203 178.798 176.600 -0.008 0.000 0.994 433 E CA 1.572 58.029 56.400 0.095 0.000 0.801 433 E CB -0.372 29.397 29.700 0.115 0.000 0.743 433 E HN 0.669 nan 8.360 nan 0.000 0.453 434 E N -0.199 120.013 120.200 0.020 0.000 2.106 434 E HA -0.180 4.176 4.350 0.010 0.000 0.192 434 E C 2.057 178.621 176.600 -0.061 0.000 0.984 434 E CA 1.793 58.199 56.400 0.010 0.000 0.806 434 E CB -0.143 29.597 29.700 0.067 0.000 0.750 434 E HN 0.424 nan 8.360 nan 0.000 0.458 435 T N -1.424 113.025 114.554 -0.175 0.000 2.788 435 T HA -0.181 4.176 4.350 0.010 0.000 0.268 435 T C 2.161 176.684 174.700 -0.295 0.000 1.044 435 T CA 1.376 63.291 62.100 -0.309 0.000 1.139 435 T CB -0.916 67.575 68.868 -0.629 0.000 0.867 435 T HN 0.276 nan 8.240 nan 0.000 0.454 436 C N 1.448 120.563 119.300 -0.308 0.000 2.446 436 C HA 0.041 4.507 4.460 0.010 0.000 0.277 436 C C 2.887 177.807 174.990 -0.117 0.000 1.275 436 C CA 0.701 59.590 59.018 -0.215 0.000 1.727 436 C CB -1.167 26.480 27.740 -0.154 0.000 2.010 436 C HN 0.660 nan 8.230 nan 0.000 0.486 437 E N 0.840 120.993 120.200 -0.079 0.000 2.077 437 E HA -0.203 4.153 4.350 0.010 0.000 0.193 437 E C 2.184 178.766 176.600 -0.030 0.000 0.989 437 E CA 1.197 57.570 56.400 -0.044 0.000 0.800 437 E CB -0.086 29.600 29.700 -0.024 0.000 0.746 437 E HN 0.616 nan 8.360 nan 0.000 0.452 438 K N 0.415 120.803 120.400 -0.021 0.000 2.097 438 K HA -0.078 4.248 4.320 0.010 0.000 0.205 438 K C 2.145 178.745 176.600 -0.000 0.000 1.050 438 K CA 0.755 57.054 56.287 0.020 0.000 0.938 438 K CB -0.052 32.477 32.500 0.049 0.000 0.718 438 K HN 0.084 nan 8.250 nan 0.000 0.442 439 L N 0.809 121.998 121.223 -0.056 0.000 2.191 439 L HA -0.146 4.200 4.340 0.010 0.000 0.212 439 L C 2.011 178.846 176.870 -0.058 0.000 1.103 439 L CA 0.871 55.671 54.840 -0.067 0.000 0.769 439 L CB -0.234 41.753 42.059 -0.120 0.000 0.908 439 L HN 0.064 nan 8.230 nan 0.000 0.438 440 S N -1.151 114.511 115.700 -0.063 0.000 2.547 440 S HA -0.125 4.351 4.470 0.010 0.000 0.235 440 S C 1.871 176.454 174.600 -0.028 0.000 0.980 440 S CA 1.041 59.192 58.200 -0.081 0.000 0.941 440 S CB -0.264 62.890 63.200 -0.078 0.000 0.763 440 S HN 0.430 nan 8.310 nan 0.000 0.532 441 T N 1.962 116.539 114.554 0.038 0.000 2.881 441 T HA 0.061 4.417 4.350 0.010 0.000 0.270 441 T C 1.347 176.172 174.700 0.209 0.000 1.068 441 T CA 0.973 63.144 62.100 0.119 0.000 1.131 441 T CB -0.077 68.868 68.868 0.129 0.000 0.871 441 T HN 0.361 nan 8.240 nan 0.000 0.479 442 L N -0.226 121.065 121.223 0.113 0.000 2.730 442 L HA 0.106 4.453 4.340 0.010 0.000 0.236 442 L C 2.782 179.615 176.870 -0.061 0.000 1.061 442 L CA 0.663 55.582 54.840 0.132 0.000 0.898 442 L CB -0.415 41.679 42.059 0.059 0.000 1.270 442 L HN 0.231 nan 8.230 nan 0.000 0.500 443 T N -1.934 112.526 114.554 -0.156 0.000 2.881 443 T HA -0.029 4.328 4.350 0.010 0.000 0.270 443 T C -0.859 173.654 174.700 -0.312 0.000 1.068 443 T CA 0.691 62.680 62.100 -0.185 0.000 1.131 443 T CB -1.465 67.319 68.868 -0.141 0.000 0.871 443 T HN 0.108 nan 8.240 nan 0.000 0.479 444 P HA 0.106 nan 4.420 nan 0.000 0.245 444 P C -0.271 176.578 177.300 -0.752 0.000 1.212 444 P CA 0.521 63.146 63.100 -0.791 0.000 0.774 444 P CB -0.253 30.776 31.700 -1.119 0.000 0.999 445 Y N -1.334 118.913 120.300 -0.087 0.000 2.706 445 Y HA 0.314 4.869 4.550 0.009 0.000 0.255 445 Y C 0.531 176.411 175.900 -0.032 0.000 1.163 445 Y CA -1.012 57.042 58.100 -0.076 0.000 1.174 445 Y CB -0.455 37.952 38.460 -0.089 0.000 1.200 445 Y HN -0.194 nan 8.280 nan 0.000 0.544 446 L N 1.515 122.772 121.223 0.057 0.000 2.278 446 L HA 0.379 4.725 4.340 0.010 0.000 0.287 446 L C -0.274 176.668 176.870 0.120 0.000 1.072 446 L CA -0.730 54.159 54.840 0.082 0.000 0.819 446 L CB 0.897 43.029 42.059 0.123 0.000 1.176 446 L HN -0.145 nan 8.230 nan 0.000 0.435 447 V N 3.606 123.575 119.914 0.093 0.000 2.364 447 V HA 0.342 4.468 4.120 0.010 0.000 0.272 447 V C 0.811 176.980 176.094 0.124 0.000 1.036 447 V CA -0.637 61.710 62.300 0.078 0.000 0.880 447 V CB 1.236 33.094 31.823 0.058 0.000 0.991 447 V HN 0.879 nan 8.190 nan 0.000 0.460 448 A N 6.814 129.689 122.820 0.092 0.000 2.511 448 A HA 0.690 5.016 4.320 0.010 0.000 0.242 448 A C 0.547 178.194 177.584 0.106 0.000 1.069 448 A CA 0.313 52.425 52.037 0.124 0.000 0.763 448 A CB 0.083 19.006 19.000 -0.128 0.000 1.001 448 A HN 0.967 nan 8.150 nan 0.000 0.498 449 R N 0.000 120.593 120.500 0.155 0.000 2.786 449 R HA 0.000 4.346 4.340 0.010 0.000 0.208 449 R CA 0.000 56.174 56.100 0.124 0.000 0.921 449 R CB 0.000 30.347 30.300 0.079 0.000 0.687 449 R HN 0.000 nan 8.270 nan 0.000 0.535