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 2d43_1_A DATA FIRST_RESID 18 DATA SEQUENCE MGPcDIYEAG DTPcVAAHST TRALYSSFSG ALYQLQRGSD DTTTTISPLT DATA SEQUENCE AGGIADASAQ DTFcANTTcL ITIIYDQSGN GNHLTQAPPG GFDGPDTDGY DATA SEQUENCE DNLASAIGAP VTLNGQKAYG VFMSPGTGYR NNEATGTATG DEAEGMYAVL DATA SEQUENCE DGTHYNDACC FDYGNAETSS TDTGAGHMEA IYLGNSTTWG YGAGDGPWIM DATA SEQUENCE VDMANNLFSG ADEGYNSGDP SISYRFVTAA VKGGADKWAI RGANAASGSL DATA SEQUENCE STYYSGARPD YSGYNPMSKE GAIILGIGGD NSNGAQGTFY EGVMTSGYPS DATA SEQUENCE DDTENSVQEN IVAAKYVVGS LVSGPSFTSG EVVSLRVTTP GYTTRYIAHT DATA SEQUENCE DTTVNTQVVD DDSSTTLKEE ASWTVVTGLA NSQcFSFESV DTPGSYIRHY DATA SEQUENCE NFELLLNAND GTKQFHEDAT FcPQAALNGE GTSLRSWSYP TRYFRHYENV DATA SEQUENCE LYAASNGGVQ TFDSKTSFNN DVSFEIETAF AS 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 18 M HA 0.000 nan 4.480 nan 0.000 0.227 18 M C 0.000 176.295 176.300 -0.009 0.000 1.140 18 M CA 0.000 55.304 55.300 0.006 0.000 0.988 18 M CB 0.000 32.593 32.600 -0.011 0.000 1.302 19 G N 1.218 110.017 108.800 -0.002 0.000 2.521 19 G HA2 0.672 4.635 3.960 0.005 0.000 0.323 19 G HA3 0.672 4.635 3.960 0.005 0.000 0.323 19 G C -2.569 172.287 174.900 -0.073 0.000 1.211 19 G CA -1.489 43.597 45.100 -0.024 0.000 0.979 19 G HN 0.376 nan 8.290 nan 0.000 0.490 20 P HA -0.181 nan 4.420 nan 0.000 0.218 20 P C 1.912 179.192 177.300 -0.034 0.000 1.165 20 P CA 1.735 64.796 63.100 -0.065 0.000 0.922 20 P CB 0.128 31.900 31.700 0.120 0.000 0.794 21 c N -1.290 117.229 118.600 -0.134 0.000 2.419 21 c HA -0.085 4.488 4.570 0.005 0.000 0.283 21 c C 2.272 176.322 174.090 -0.067 0.000 1.373 21 c CA 0.666 56.877 56.329 -0.197 0.000 1.781 21 c CB -1.772 40.121 42.510 -1.028 0.000 1.886 21 c HN 0.331 nan 8.230 nan 0.000 0.520 22 D N 1.105 121.468 120.400 -0.061 0.000 2.103 22 D HA -0.045 4.599 4.640 0.005 0.000 0.199 22 D C 1.959 178.271 176.300 0.019 0.000 0.978 22 D CA 1.132 55.157 54.000 0.042 0.000 0.829 22 D CB -0.281 40.545 40.800 0.043 0.000 0.981 22 D HN 0.445 nan 8.370 nan 0.000 0.464 23 I N 0.337 120.875 120.570 -0.053 0.000 2.208 23 I HA -0.306 3.867 4.170 0.005 0.000 0.245 23 I C 2.287 178.353 176.117 -0.084 0.000 1.097 23 I CA 1.065 62.297 61.300 -0.114 0.000 1.363 23 I CB -0.331 37.524 38.000 -0.241 0.000 1.051 23 I HN -0.025 nan 8.210 nan 0.000 0.413 24 Y N 0.812 121.098 120.300 -0.024 0.000 2.274 24 Y HA -0.213 4.340 4.550 0.006 0.000 0.290 24 Y C 2.656 178.567 175.900 0.019 0.000 1.145 24 Y CA 1.235 59.334 58.100 -0.002 0.000 1.203 24 Y CB -0.367 38.097 38.460 0.007 0.000 0.984 24 Y HN 0.178 nan 8.280 nan 0.000 0.533 25 E N 0.144 120.455 120.200 0.185 0.000 2.047 25 E HA -0.165 4.188 4.350 0.005 0.000 0.191 25 E C 2.373 179.032 176.600 0.097 0.000 0.987 25 E CA 1.039 57.523 56.400 0.140 0.000 0.799 25 E CB -0.189 29.598 29.700 0.144 0.000 0.752 25 E HN 0.354 nan 8.360 nan 0.000 0.449 26 A N 0.440 123.302 122.820 0.070 0.000 2.024 26 A HA -0.112 4.211 4.320 0.005 0.000 0.220 26 A C 2.206 179.816 177.584 0.043 0.000 1.164 26 A CA 1.748 53.811 52.037 0.043 0.000 0.643 26 A CB -0.726 18.284 19.000 0.017 0.000 0.806 26 A HN 0.336 nan 8.150 nan 0.000 0.451 27 G N -1.947 106.888 108.800 0.058 0.000 3.141 27 G HA2 0.293 4.257 3.960 0.005 0.000 0.218 27 G HA3 0.293 4.257 3.960 0.005 0.000 0.218 27 G C 0.139 175.089 174.900 0.083 0.000 1.170 27 G CA 0.682 45.820 45.100 0.063 0.000 0.769 27 G HN 0.386 nan 8.290 nan 0.000 0.546 28 D N -0.111 120.339 120.400 0.084 0.000 3.041 28 D HA -0.146 4.497 4.640 0.005 0.000 0.220 28 D C 0.589 176.943 176.300 0.089 0.000 1.157 28 D CA 1.680 55.727 54.000 0.078 0.000 0.876 28 D CB -1.675 39.163 40.800 0.063 0.000 1.107 28 D HN 0.618 nan 8.370 nan 0.000 0.422 29 T N -2.318 112.307 114.554 0.117 0.000 3.418 29 T HA 0.506 4.860 4.350 0.005 0.000 0.315 29 T C -2.819 171.934 174.700 0.087 0.000 1.447 29 T CA -1.520 60.640 62.100 0.100 0.000 1.641 29 T CB 2.124 71.067 68.868 0.124 0.000 0.904 29 T HN -0.218 nan 8.240 nan 0.000 0.640 30 P HA 0.248 nan 4.420 nan 0.000 0.269 30 P C 0.091 177.394 177.300 0.003 0.000 1.215 30 P CA -0.536 62.611 63.100 0.079 0.000 0.780 30 P CB 0.429 32.182 31.700 0.088 0.000 0.898 31 c N 1.682 120.300 118.600 0.031 0.000 2.652 31 c HA 0.157 4.731 4.570 0.005 0.000 0.412 31 c C 1.982 176.092 174.090 0.034 0.000 1.294 31 c CA 0.072 56.391 56.329 -0.016 0.000 2.127 31 c CB -0.280 42.249 42.510 0.032 0.000 2.691 31 c HN 0.533 nan 8.230 nan 0.000 0.615 32 V N -0.137 119.774 119.914 -0.005 0.000 3.556 32 V HA 0.586 4.709 4.120 0.005 0.000 0.287 32 V C 0.431 176.520 176.094 -0.008 0.000 1.422 32 V CA 0.545 62.847 62.300 0.003 0.000 1.038 32 V CB -0.638 31.179 31.823 -0.011 0.000 0.850 32 V HN 1.026 nan 8.190 nan 0.000 0.437 33 A N 0.121 122.927 122.820 -0.022 0.000 2.488 33 A HA 0.943 5.266 4.320 0.005 0.000 0.295 33 A C -0.695 176.795 177.584 -0.156 0.000 1.045 33 A CA 0.146 52.132 52.037 -0.085 0.000 0.703 33 A CB 1.538 20.564 19.000 0.043 0.000 1.271 33 A HN 1.580 nan 8.150 nan 0.000 0.400 34 A N 2.362 124.959 122.820 -0.372 0.000 2.414 34 A HA 0.775 5.098 4.320 0.005 0.000 0.286 34 A C -1.181 176.152 177.584 -0.419 0.000 1.073 34 A CA -0.374 51.513 52.037 -0.250 0.000 0.727 34 A CB 0.656 19.637 19.000 -0.033 0.000 1.215 34 A HN 1.020 nan 8.150 nan 0.000 0.430 35 H N 0.402 119.561 119.070 0.148 0.000 2.637 35 H HA 0.848 5.407 4.556 0.005 0.000 0.363 35 H C -0.400 175.010 175.328 0.138 0.000 1.131 35 H CA -0.326 55.839 56.048 0.194 0.000 1.183 35 H CB 2.101 32.033 29.762 0.283 0.000 1.637 35 H HN 0.651 nan 8.280 nan 0.000 0.531 36 S N 0.573 116.414 115.700 0.235 0.000 2.596 36 S HA 0.114 4.587 4.470 0.005 0.000 0.305 36 S C 0.306 175.004 174.600 0.164 0.000 1.086 36 S CA -0.204 58.052 58.200 0.093 0.000 0.909 36 S CB 0.429 63.658 63.200 0.048 0.000 1.106 36 S HN 0.844 nan 8.310 nan 0.000 0.450 37 T N 0.351 114.953 114.554 0.080 0.000 3.107 37 T HA 0.107 4.460 4.350 0.005 0.000 0.249 37 T C 1.593 176.417 174.700 0.207 0.000 1.096 37 T CA 1.029 63.146 62.100 0.029 0.000 1.012 37 T CB -0.260 68.296 68.868 -0.521 0.000 0.977 37 T HN 0.746 nan 8.240 nan 0.000 0.527 38 T N -0.226 114.443 114.554 0.192 0.000 3.034 38 T HA 0.297 4.650 4.350 0.005 0.000 0.248 38 T C 0.732 175.521 174.700 0.149 0.000 1.040 38 T CA -0.352 61.864 62.100 0.193 0.000 1.107 38 T CB -0.007 68.987 68.868 0.210 0.000 0.932 38 T HN 0.727 nan 8.240 nan 0.000 0.474 39 R N -0.130 120.460 120.500 0.149 0.000 2.733 39 R HA 0.764 5.107 4.340 0.005 0.000 0.272 39 R C -1.484 174.909 176.300 0.155 0.000 1.029 39 R CA -0.923 55.253 56.100 0.127 0.000 0.888 39 R CB 0.762 31.088 30.300 0.044 0.000 1.251 39 R HN 0.089 nan 8.270 nan 0.000 0.464 40 A N 1.300 124.231 122.820 0.185 0.000 2.425 40 A HA 0.386 4.710 4.320 0.005 0.000 0.249 40 A C 0.520 178.181 177.584 0.128 0.000 1.084 40 A CA -0.667 51.508 52.037 0.230 0.000 0.781 40 A CB 0.070 19.291 19.000 0.369 0.000 1.019 40 A HN 0.708 nan 8.150 nan 0.000 0.490 41 L N 0.659 121.921 121.223 0.066 0.000 2.554 41 L HA 0.175 4.518 4.340 0.005 0.000 0.225 41 L C -0.563 176.223 176.870 -0.139 0.000 1.104 41 L CA 0.348 55.165 54.840 -0.039 0.000 0.866 41 L CB -0.228 41.760 42.059 -0.119 0.000 1.047 41 L HN 0.703 nan 8.230 nan 0.000 0.468 42 Y N -1.033 119.311 120.300 0.073 0.000 2.429 42 Y HA 0.137 4.691 4.550 0.007 0.000 0.342 42 Y C 1.511 177.493 175.900 0.137 0.000 1.004 42 Y CA -0.563 57.602 58.100 0.109 0.000 1.075 42 Y CB 1.779 40.319 38.460 0.132 0.000 1.214 42 Y HN -0.091 nan 8.280 nan 0.000 0.455 43 S N -0.545 115.302 115.700 0.243 0.000 2.399 43 S HA -0.183 4.291 4.470 0.005 0.000 0.231 43 S C 1.473 176.175 174.600 0.171 0.000 1.022 43 S CA 1.418 59.717 58.200 0.164 0.000 0.983 43 S CB -0.522 62.742 63.200 0.107 0.000 0.803 43 S HN 0.657 nan 8.310 nan 0.000 0.480 44 S N -0.040 115.778 115.700 0.198 0.000 2.605 44 S HA 0.321 4.795 4.470 0.005 0.000 0.217 44 S C -0.031 174.657 174.600 0.147 0.000 0.958 44 S CA -0.815 57.466 58.200 0.135 0.000 0.919 44 S CB -0.752 62.504 63.200 0.093 0.000 0.780 44 S HN 0.433 nan 8.310 nan 0.000 0.507 45 F N 3.817 123.820 119.950 0.089 0.000 2.427 45 F HA 0.506 5.036 4.527 0.005 0.000 0.352 45 F C 0.985 176.815 175.800 0.050 0.000 1.100 45 F CA -0.095 57.943 58.000 0.063 0.000 1.191 45 F CB 1.284 40.369 39.000 0.141 0.000 1.128 45 F HN 0.204 nan 8.300 nan 0.000 0.533 46 S N 2.534 117.800 115.700 -0.723 0.000 2.893 46 S HA 0.354 4.827 4.470 0.005 0.000 0.258 46 S C 0.599 174.797 174.600 -0.670 0.000 1.034 46 S CA -0.078 57.828 58.200 -0.491 0.000 1.167 46 S CB -0.499 62.552 63.200 -0.248 0.000 1.137 46 S HN 0.820 nan 8.310 nan 0.000 0.650 47 G N 1.633 109.624 108.800 -1.348 0.000 2.516 47 G HA2 0.604 4.567 3.960 0.005 0.000 0.276 47 G HA3 0.604 4.567 3.960 0.005 0.000 0.276 47 G C 0.179 174.889 174.900 -0.316 0.000 1.390 47 G CA -0.369 44.271 45.100 -0.767 0.000 1.050 47 G HN 0.760 nan 8.290 nan 0.000 0.519 48 A N -1.159 121.595 122.820 -0.110 0.000 2.440 48 A HA 0.494 4.817 4.320 0.005 0.000 0.251 48 A C 1.187 179.024 177.584 0.423 0.000 1.089 48 A CA -0.366 51.705 52.037 0.057 0.000 0.779 48 A CB 0.429 19.358 19.000 -0.118 0.000 1.022 48 A HN 0.537 nan 8.150 nan 0.000 0.492 49 L N 1.099 122.573 121.223 0.419 0.000 2.145 49 L HA 0.166 4.509 4.340 0.005 0.000 0.201 49 L C 0.587 177.801 176.870 0.573 0.000 1.075 49 L CA 0.853 56.004 54.840 0.519 0.000 0.773 49 L CB -0.382 41.958 42.059 0.469 0.000 0.936 49 L HN 0.911 nan 8.230 nan 0.000 0.451 50 Y N -3.175 117.286 120.300 0.269 0.000 2.744 50 Y HA 0.591 5.144 4.550 0.005 0.000 0.330 50 Y C -0.820 175.057 175.900 -0.039 0.000 1.263 50 Y CA -1.396 56.670 58.100 -0.057 0.000 1.065 50 Y CB 0.963 39.399 38.460 -0.040 0.000 1.306 50 Y HN -0.211 nan 8.280 nan 0.000 0.459 51 Q N 1.381 121.156 119.800 -0.043 0.000 2.365 51 Q HA 0.699 5.043 4.340 0.005 0.000 0.269 51 Q C -1.899 174.166 176.000 0.109 0.000 1.061 51 Q CA -0.834 54.958 55.803 -0.018 0.000 0.816 51 Q CB 2.339 31.043 28.738 -0.056 0.000 1.325 51 Q HN 0.847 nan 8.270 nan 0.000 0.446 52 L N 1.480 122.748 121.223 0.075 0.000 2.298 52 L HA 0.646 4.989 4.340 0.005 0.000 0.268 52 L C -0.734 176.269 176.870 0.222 0.000 1.010 52 L CA -0.829 54.124 54.840 0.187 0.000 0.812 52 L CB 2.027 44.233 42.059 0.245 0.000 1.331 52 L HN 0.672 nan 8.230 nan 0.000 0.450 53 Q N 1.363 121.349 119.800 0.311 0.000 2.476 53 Q HA 0.238 4.581 4.340 0.005 0.000 0.236 53 Q C -1.566 174.529 176.000 0.159 0.000 0.844 53 Q CA -0.711 55.259 55.803 0.278 0.000 0.972 53 Q CB 1.572 30.392 28.738 0.136 0.000 1.498 53 Q HN 0.694 nan 8.270 nan 0.000 0.454 54 R N 1.476 122.008 120.500 0.054 0.000 2.490 54 R HA 0.504 4.848 4.340 0.005 0.000 0.278 54 R C 0.731 176.964 176.300 -0.111 0.000 1.069 54 R CA 0.172 56.181 56.100 -0.151 0.000 1.080 54 R CB 0.680 30.691 30.300 -0.481 0.000 1.030 54 R HN 0.662 nan 8.270 nan 0.000 0.491 55 G N 0.864 109.590 108.800 -0.124 0.000 2.534 55 G HA2 -0.250 3.713 3.960 0.005 0.000 0.217 55 G HA3 -0.250 3.713 3.960 0.005 0.000 0.217 55 G C 1.330 176.154 174.900 -0.127 0.000 1.128 55 G CA 0.475 45.493 45.100 -0.138 0.000 0.784 55 G HN 0.785 nan 8.290 nan 0.000 0.542 56 S N 1.961 117.584 115.700 -0.129 0.000 2.365 56 S HA -0.202 4.271 4.470 0.005 0.000 0.221 56 S C 1.603 176.157 174.600 -0.077 0.000 1.037 56 S CA 1.956 60.094 58.200 -0.103 0.000 1.060 56 S CB -0.364 62.760 63.200 -0.127 0.000 0.974 56 S HN 0.482 nan 8.310 nan 0.000 0.427 57 D N -1.115 119.242 120.400 -0.073 0.000 2.503 57 D HA 0.252 4.895 4.640 0.005 0.000 0.218 57 D C -0.288 176.004 176.300 -0.014 0.000 1.183 57 D CA 0.205 54.184 54.000 -0.035 0.000 0.827 57 D CB -0.275 40.515 40.800 -0.017 0.000 1.034 57 D HN 0.205 nan 8.370 nan 0.000 0.510 58 D N 0.013 120.400 120.400 -0.021 0.000 3.046 58 D HA -0.165 4.479 4.640 0.005 0.000 0.210 58 D C -0.013 176.324 176.300 0.061 0.000 1.124 58 D CA 1.623 55.627 54.000 0.007 0.000 0.986 58 D CB -1.953 38.841 40.800 -0.009 0.000 1.118 58 D HN 0.579 nan 8.370 nan 0.000 0.416 59 T N -2.222 112.395 114.554 0.104 0.000 2.868 59 T HA 0.554 4.908 4.350 0.005 0.000 0.292 59 T C 0.858 175.758 174.700 0.333 0.000 1.028 59 T CA 0.138 62.346 62.100 0.179 0.000 1.059 59 T CB 2.134 71.122 68.868 0.200 0.000 0.991 59 T HN 0.209 nan 8.240 nan 0.000 0.531 60 T N -1.834 112.843 114.554 0.205 0.000 2.804 60 T HA 0.785 5.138 4.350 0.005 0.000 0.272 60 T C -0.212 174.319 174.700 -0.281 0.000 0.986 60 T CA -0.695 61.458 62.100 0.090 0.000 0.999 60 T CB 1.719 70.609 68.868 0.037 0.000 1.307 60 T HN 1.027 nan 8.240 nan 0.000 0.586 61 T N 0.080 114.394 114.554 -0.399 0.000 2.927 61 T HA 0.507 4.860 4.350 0.005 0.000 0.350 61 T C -1.306 173.209 174.700 -0.308 0.000 1.746 61 T CA -0.144 61.659 62.100 -0.495 0.000 1.081 61 T CB 1.099 69.361 68.868 -1.011 0.000 1.551 61 T HN 1.350 nan 8.240 nan 0.000 0.489 62 T N 1.860 116.283 114.554 -0.217 0.000 2.925 62 T HA 0.797 5.150 4.350 0.005 0.000 0.285 62 T C -0.518 174.044 174.700 -0.230 0.000 1.021 62 T CA -0.862 61.148 62.100 -0.150 0.000 1.042 62 T CB 0.831 69.691 68.868 -0.013 0.000 1.037 62 T HN 0.467 nan 8.240 nan 0.000 0.481 63 I N 2.621 122.973 120.570 -0.364 0.000 2.404 63 I HA 0.494 4.667 4.170 0.005 0.000 0.293 63 I C 0.300 176.293 176.117 -0.206 0.000 0.992 63 I CA -0.539 60.543 61.300 -0.364 0.000 1.149 63 I CB 1.398 38.978 38.000 -0.699 0.000 1.315 63 I HN 0.795 nan 8.210 nan 0.000 0.446 64 S N 6.590 122.245 115.700 -0.076 0.000 2.751 64 S HA 0.674 5.147 4.470 0.005 0.000 0.310 64 S C -2.610 172.022 174.600 0.052 0.000 1.128 64 S CA -1.275 56.928 58.200 0.006 0.000 0.931 64 S CB 2.179 65.349 63.200 -0.050 0.000 1.177 64 S HN 0.359 nan 8.310 nan 0.000 0.530 65 P HA 0.303 nan 4.420 nan 0.000 0.275 65 P C 0.505 177.829 177.300 0.040 0.000 1.228 65 P CA -0.311 62.844 63.100 0.091 0.000 0.786 65 P CB 0.388 32.165 31.700 0.129 0.000 0.927 66 L N -0.202 121.045 121.223 0.040 0.000 2.079 66 L HA -0.106 4.238 4.340 0.005 0.000 0.210 66 L C 1.316 178.192 176.870 0.009 0.000 1.081 66 L CA 1.818 56.671 54.840 0.021 0.000 0.752 66 L CB -0.407 41.665 42.059 0.022 0.000 0.896 66 L HN 0.475 nan 8.230 nan 0.000 0.433 67 T N -1.715 112.849 114.554 0.016 0.000 2.868 67 T HA 0.610 4.963 4.350 0.005 0.000 0.306 67 T C -0.984 173.728 174.700 0.020 0.000 1.224 67 T CA -0.355 61.750 62.100 0.007 0.000 1.012 67 T CB 1.378 70.250 68.868 0.007 0.000 1.221 67 T HN 0.117 nan 8.240 nan 0.000 0.499 68 A N 1.198 124.023 122.820 0.008 0.000 2.592 68 A HA 0.424 4.747 4.320 0.005 0.000 0.250 68 A C 1.603 179.233 177.584 0.075 0.000 1.017 68 A CA 1.091 53.144 52.037 0.027 0.000 0.794 68 A CB -1.362 17.646 19.000 0.014 0.000 0.917 68 A HN 2.314 nan 8.150 nan 0.000 0.515 69 G N 1.899 110.784 108.800 0.142 0.000 2.249 69 G HA2 0.073 4.036 3.960 0.005 0.000 0.273 69 G HA3 0.073 4.036 3.960 0.005 0.000 0.273 69 G C 0.802 175.767 174.900 0.108 0.000 1.036 69 G CA 0.946 46.144 45.100 0.163 0.000 0.824 69 G HN 1.956 nan 8.290 nan 0.000 0.504 70 G N -1.385 107.475 108.800 0.100 0.000 2.938 70 G HA2 0.723 4.686 3.960 0.005 0.000 0.258 70 G HA3 0.723 4.686 3.960 0.005 0.000 0.258 70 G C 0.157 175.100 174.900 0.072 0.000 1.356 70 G CA -0.929 44.208 45.100 0.062 0.000 1.052 70 G HN 0.295 nan 8.290 nan 0.000 0.550 71 I N 0.873 121.468 120.570 0.040 0.000 2.886 71 I HA 0.414 4.587 4.170 0.005 0.000 0.299 71 I C 1.265 177.432 176.117 0.083 0.000 1.044 71 I CA -0.953 60.372 61.300 0.042 0.000 1.310 71 I CB 0.844 38.840 38.000 -0.008 0.000 1.441 71 I HN 0.518 nan 8.210 nan 0.000 0.578 72 A N 2.653 125.547 122.820 0.123 0.000 2.445 72 A HA 0.027 4.350 4.320 0.005 0.000 0.242 72 A C 0.316 177.979 177.584 0.131 0.000 1.075 72 A CA -0.223 51.915 52.037 0.169 0.000 0.777 72 A CB -0.122 19.057 19.000 0.299 0.000 1.013 72 A HN 0.728 nan 8.150 nan 0.000 0.493 73 D N 2.303 122.769 120.400 0.110 0.000 2.508 73 D HA 0.375 5.019 4.640 0.005 0.000 0.224 73 D C 1.263 177.649 176.300 0.144 0.000 1.171 73 D CA 0.610 54.664 54.000 0.090 0.000 1.006 73 D CB 0.358 41.186 40.800 0.047 0.000 1.073 73 D HN 0.500 nan 8.370 nan 0.000 0.513 74 A N 2.459 125.390 122.820 0.185 0.000 1.877 74 A HA -0.214 4.109 4.320 0.005 0.000 0.216 74 A C 2.269 180.015 177.584 0.270 0.000 1.186 74 A CA 1.950 54.169 52.037 0.303 0.000 0.620 74 A CB -0.657 18.476 19.000 0.221 0.000 0.822 74 A HN 0.585 nan 8.150 nan 0.000 0.443 75 S N 0.485 116.289 115.700 0.174 0.000 2.407 75 S HA -0.169 4.305 4.470 0.005 0.000 0.235 75 S C 2.004 176.688 174.600 0.141 0.000 1.036 75 S CA 1.703 59.990 58.200 0.145 0.000 1.013 75 S CB -0.836 62.422 63.200 0.096 0.000 0.820 75 S HN 1.032 nan 8.310 nan 0.000 0.476 76 A N 1.344 124.238 122.820 0.124 0.000 1.930 76 A HA -0.102 4.221 4.320 0.005 0.000 0.217 76 A C 2.340 180.011 177.584 0.146 0.000 1.175 76 A CA 1.489 53.586 52.037 0.100 0.000 0.627 76 A CB -0.806 18.220 19.000 0.043 0.000 0.815 76 A HN 0.684 nan 8.150 nan 0.000 0.443 77 Q N -0.461 119.445 119.800 0.177 0.000 2.083 77 Q HA -0.194 4.149 4.340 0.005 0.000 0.198 77 Q C 1.099 177.215 176.000 0.193 0.000 0.969 77 Q CA 1.616 57.540 55.803 0.203 0.000 0.838 77 Q CB -0.134 28.729 28.738 0.209 0.000 0.900 77 Q HN 0.582 nan 8.270 nan 0.000 0.436 78 D N -0.205 120.312 120.400 0.195 0.000 2.144 78 D HA -0.110 4.533 4.640 0.005 0.000 0.200 78 D C 1.805 178.184 176.300 0.132 0.000 0.978 78 D CA 1.560 55.657 54.000 0.161 0.000 0.833 78 D CB -0.311 40.604 40.800 0.193 0.000 0.961 78 D HN 0.242 nan 8.370 nan 0.000 0.470 79 T N 0.548 115.190 114.554 0.146 0.000 2.708 79 T HA -0.149 4.204 4.350 0.005 0.000 0.266 79 T C 1.660 176.454 174.700 0.156 0.000 1.037 79 T CA 0.643 62.821 62.100 0.130 0.000 1.146 79 T CB -0.412 68.531 68.868 0.126 0.000 0.865 79 T HN 0.085 nan 8.240 nan 0.000 0.435 80 F N 1.316 121.284 119.950 0.031 0.000 2.234 80 F HA -0.051 4.479 4.527 0.005 0.000 0.299 80 F C 1.857 177.668 175.800 0.019 0.000 1.087 80 F CA 0.323 58.336 58.000 0.021 0.000 1.340 80 F CB -0.353 38.657 39.000 0.017 0.000 1.031 80 F HN 0.163 nan 8.300 nan 0.000 0.500 81 c N 0.897 119.477 118.600 -0.033 0.000 2.754 81 c HA 0.612 5.185 4.570 0.005 0.000 0.276 81 c C 1.275 175.317 174.090 -0.080 0.000 1.264 81 c CA -0.493 55.757 56.329 -0.133 0.000 1.700 81 c CB -2.340 40.154 42.510 -0.026 0.000 1.885 81 c HN 0.453 nan 8.230 nan 0.000 0.607 82 A N 1.566 124.359 122.820 -0.046 0.000 2.540 82 A HA 0.251 4.574 4.320 0.005 0.000 0.239 82 A C 0.742 178.299 177.584 -0.045 0.000 1.061 82 A CA 0.429 52.455 52.037 -0.018 0.000 0.758 82 A CB -0.316 18.686 19.000 0.004 0.000 0.991 82 A HN 0.733 nan 8.150 nan 0.000 0.502 83 N N -0.608 118.076 118.700 -0.026 0.000 2.693 83 N HA -0.162 4.581 4.740 0.005 0.000 0.249 83 N C 0.031 175.512 175.510 -0.048 0.000 1.119 83 N CA 1.883 54.913 53.050 -0.034 0.000 0.717 83 N CB -1.134 37.335 38.487 -0.030 0.000 1.071 83 N HN 0.994 nan 8.380 nan 0.000 0.555 84 T N -2.635 111.884 114.554 -0.057 0.000 2.626 84 T HA 0.675 5.028 4.350 0.005 0.000 0.299 84 T C -1.084 173.592 174.700 -0.039 0.000 1.181 84 T CA 0.066 62.129 62.100 -0.062 0.000 1.053 84 T CB 0.980 69.777 68.868 -0.119 0.000 1.566 84 T HN 0.132 nan 8.240 nan 0.000 0.486 85 T N -0.670 113.860 114.554 -0.039 0.000 2.918 85 T HA 0.772 5.125 4.350 0.005 0.000 0.286 85 T C -0.598 174.094 174.700 -0.013 0.000 1.026 85 T CA -0.629 61.485 62.100 0.024 0.000 1.031 85 T CB 0.957 69.857 68.868 0.053 0.000 1.046 85 T HN 0.694 nan 8.240 nan 0.000 0.479 86 c N 1.599 120.218 118.600 0.032 0.000 2.898 86 c HA 0.822 5.395 4.570 0.005 0.000 0.304 86 c C -0.773 173.351 174.090 0.055 0.000 1.237 86 c CA -0.768 55.583 56.329 0.036 0.000 1.529 86 c CB 1.142 43.682 42.510 0.051 0.000 2.021 86 c HN 0.929 nan 8.230 nan 0.000 0.474 87 L N 2.326 123.596 121.223 0.078 0.000 2.371 87 L HA 0.616 4.959 4.340 0.005 0.000 0.262 87 L C -0.788 176.160 176.870 0.130 0.000 1.006 87 L CA -0.634 54.257 54.840 0.086 0.000 0.818 87 L CB 1.689 43.783 42.059 0.059 0.000 1.354 87 L HN 0.515 nan 8.230 nan 0.000 0.415 88 I N 1.187 121.848 120.570 0.151 0.000 2.291 88 I HA 0.081 4.254 4.170 0.005 0.000 0.292 88 I C 1.198 177.450 176.117 0.225 0.000 1.064 88 I CA -0.041 61.359 61.300 0.166 0.000 1.269 88 I CB 1.549 39.585 38.000 0.060 0.000 1.418 88 I HN 0.796 nan 8.210 nan 0.000 0.485 89 T N 4.238 118.887 114.554 0.159 0.000 2.978 89 T HA 0.269 4.623 4.350 0.005 0.000 0.262 89 T C 0.641 175.411 174.700 0.118 0.000 1.063 89 T CA 0.658 62.842 62.100 0.140 0.000 1.140 89 T CB 0.226 69.138 68.868 0.074 0.000 0.886 89 T HN 0.368 nan 8.240 nan 0.000 0.470 90 I N 0.366 120.917 120.570 -0.031 0.000 2.722 90 I HA 0.424 4.598 4.170 0.005 0.000 0.292 90 I C -1.378 174.534 176.117 -0.342 0.000 1.267 90 I CA -1.129 60.042 61.300 -0.215 0.000 1.036 90 I CB 2.996 40.719 38.000 -0.463 0.000 1.281 90 I HN 0.010 nan 8.210 nan 0.000 0.423 91 I N 5.784 126.190 120.570 -0.273 0.000 2.428 91 I HA 0.280 4.454 4.170 0.005 0.000 0.279 91 I C -0.721 175.461 176.117 0.109 0.000 1.040 91 I CA -0.630 60.604 61.300 -0.110 0.000 1.171 91 I CB 0.419 38.329 38.000 -0.149 0.000 1.312 91 I HN 0.366 nan 8.210 nan 0.000 0.470 92 Y N 3.086 123.536 120.300 0.251 0.000 2.652 92 Y HA -0.033 4.520 4.550 0.005 0.000 0.344 92 Y C 0.871 176.995 175.900 0.373 0.000 1.254 92 Y CA -0.108 58.187 58.100 0.325 0.000 1.480 92 Y CB 0.164 38.709 38.460 0.141 0.000 1.345 92 Y HN 0.469 nan 8.280 nan 0.000 0.617 93 D N 1.814 122.608 120.400 0.657 0.000 2.456 93 D HA 0.125 4.768 4.640 0.005 0.000 0.219 93 D C 0.285 176.618 176.300 0.055 0.000 1.126 93 D CA -0.200 53.866 54.000 0.109 0.000 0.890 93 D CB 0.563 41.340 40.800 -0.038 0.000 1.025 93 D HN 0.560 nan 8.370 nan 0.000 0.511 94 Q N 1.570 121.281 119.800 -0.148 0.000 2.308 94 Q HA -0.189 4.154 4.340 0.005 0.000 0.209 94 Q C 1.818 177.688 176.000 -0.216 0.000 0.985 94 Q CA 1.332 56.827 55.803 -0.513 0.000 0.881 94 Q CB -0.035 28.130 28.738 -0.956 0.000 0.917 94 Q HN 0.600 nan 8.270 nan 0.000 0.443 95 S N -0.797 114.890 115.700 -0.023 0.000 2.419 95 S HA -0.066 4.407 4.470 0.005 0.000 0.233 95 S C 1.643 176.182 174.600 -0.101 0.000 1.016 95 S CA 1.216 59.395 58.200 -0.034 0.000 0.974 95 S CB -0.099 63.160 63.200 0.098 0.000 0.786 95 S HN 0.598 nan 8.310 nan 0.000 0.492 96 G N 1.052 109.832 108.800 -0.034 0.000 2.232 96 G HA2 -0.277 3.687 3.960 0.005 0.000 0.226 96 G HA3 -0.277 3.687 3.960 0.005 0.000 0.226 96 G C 0.673 175.559 174.900 -0.023 0.000 0.996 96 G CA 0.298 45.393 45.100 -0.009 0.000 0.626 96 G HN 0.571 nan 8.290 nan 0.000 0.509 97 N N 1.094 119.770 118.700 -0.041 0.000 2.520 97 N HA 0.268 5.011 4.740 0.005 0.000 0.185 97 N C 1.761 177.212 175.510 -0.098 0.000 1.068 97 N CA 0.871 53.891 53.050 -0.050 0.000 0.911 97 N CB -0.192 38.273 38.487 -0.037 0.000 0.961 97 N HN 1.396 nan 8.380 nan 0.000 0.446 98 G N 1.152 109.840 108.800 -0.187 0.000 2.147 98 G HA2 -0.249 3.714 3.960 0.005 0.000 0.244 98 G HA3 -0.249 3.714 3.960 0.005 0.000 0.244 98 G C -0.089 174.504 174.900 -0.512 0.000 1.005 98 G CA -0.250 44.588 45.100 -0.437 0.000 0.713 98 G HN 0.349 nan 8.290 nan 0.000 0.515 99 N N 1.605 120.132 118.700 -0.288 0.000 2.878 99 N HA 0.094 4.837 4.740 0.005 0.000 0.282 99 N C 0.515 176.068 175.510 0.071 0.000 1.284 99 N CA 0.075 53.079 53.050 -0.078 0.000 1.053 99 N CB -0.131 38.374 38.487 0.029 0.000 1.382 99 N HN 0.534 nan 8.380 nan 0.000 0.529 100 H N 0.335 119.544 119.070 0.233 0.000 2.913 100 H HA 0.085 4.644 4.556 0.005 0.000 0.365 100 H C 0.691 176.126 175.328 0.178 0.000 1.155 100 H CA 0.275 56.483 56.048 0.267 0.000 1.417 100 H CB 1.273 31.213 29.762 0.296 0.000 1.386 100 H HN 0.102 nan 8.280 nan 0.000 0.614 101 L N 2.541 123.902 121.223 0.230 0.000 2.280 101 L HA 0.237 4.580 4.340 0.005 0.000 0.287 101 L C 0.706 177.668 176.870 0.152 0.000 1.023 101 L CA -0.511 54.378 54.840 0.083 0.000 0.819 101 L CB 1.190 43.163 42.059 -0.144 0.000 1.212 101 L HN 0.699 nan 8.230 nan 0.000 0.420 102 T N -0.818 113.862 114.554 0.211 0.000 2.870 102 T HA 0.276 4.629 4.350 0.005 0.000 0.277 102 T C -0.205 174.638 174.700 0.238 0.000 1.000 102 T CA -0.860 61.385 62.100 0.241 0.000 0.982 102 T CB 1.185 70.145 68.868 0.154 0.000 1.249 102 T HN 0.483 nan 8.240 nan 0.000 0.589 103 Q N 0.595 120.464 119.800 0.115 0.000 2.262 103 Q HA 0.380 4.724 4.340 0.005 0.000 0.298 103 Q C 0.009 176.064 176.000 0.092 0.000 1.083 103 Q CA -0.413 55.380 55.803 -0.017 0.000 0.962 103 Q CB -0.075 28.650 28.738 -0.021 0.000 1.104 103 Q HN 0.867 nan 8.270 nan 0.000 0.376 104 A N 7.111 129.919 122.820 -0.020 0.000 2.488 104 A HA 0.339 4.662 4.320 0.005 0.000 0.249 104 A C -2.214 175.354 177.584 -0.026 0.000 1.083 104 A CA -1.012 51.018 52.037 -0.011 0.000 0.768 104 A CB -0.030 18.923 19.000 -0.077 0.000 1.017 104 A HN 0.719 nan 8.150 nan 0.000 0.496 105 P HA 0.377 nan 4.420 nan 0.000 0.280 105 P C -2.897 174.182 177.300 -0.369 0.000 1.272 105 P CA -1.908 60.864 63.100 -0.546 0.000 0.819 105 P CB 0.704 32.182 31.700 -0.370 0.000 1.122 106 P HA 0.215 nan 4.420 nan 0.000 0.274 106 P C 0.032 177.242 177.300 -0.152 0.000 1.231 106 P CA 0.367 63.340 63.100 -0.212 0.000 0.790 106 P CB 0.967 32.547 31.700 -0.200 0.000 0.951 107 G N 0.833 109.578 108.800 -0.091 0.000 3.341 107 G HA2 0.338 4.302 3.960 0.005 0.000 0.186 107 G HA3 0.338 4.302 3.960 0.005 0.000 0.186 107 G C 1.139 175.961 174.900 -0.130 0.000 1.430 107 G CA 0.311 45.354 45.100 -0.096 0.000 0.961 107 G HN 0.445 nan 8.290 nan 0.000 0.767 108 G N -0.499 108.207 108.800 -0.157 0.000 2.471 108 G HA2 0.286 4.250 3.960 0.005 0.000 0.219 108 G HA3 0.286 4.250 3.960 0.005 0.000 0.219 108 G C 0.074 174.572 174.900 -0.671 0.000 1.125 108 G CA 0.546 45.417 45.100 -0.382 0.000 0.775 108 G HN 0.182 nan 8.290 nan 0.000 0.548 109 F N -0.624 119.301 119.950 -0.041 0.000 2.603 109 F HA 0.461 4.992 4.527 0.006 0.000 0.317 109 F C -0.583 175.190 175.800 -0.046 0.000 1.066 109 F CA -1.377 56.604 58.000 -0.030 0.000 0.941 109 F CB 1.775 40.767 39.000 -0.015 0.000 1.291 109 F HN -0.234 nan 8.300 nan 0.000 0.472 110 D N 0.143 120.641 120.400 0.162 0.000 2.277 110 D HA 0.458 5.101 4.640 0.005 0.000 0.250 110 D C 0.112 176.454 176.300 0.069 0.000 1.032 110 D CA -0.078 53.960 54.000 0.063 0.000 0.947 110 D CB 1.907 42.732 40.800 0.041 0.000 1.159 110 D HN 0.696 nan 8.370 nan 0.000 0.460 111 G N 0.220 109.037 108.800 0.028 0.000 2.502 111 G HA2 0.338 4.301 3.960 0.005 0.000 0.305 111 G HA3 0.338 4.301 3.960 0.005 0.000 0.305 111 G C -1.716 173.216 174.900 0.052 0.000 1.190 111 G CA -0.930 44.192 45.100 0.036 0.000 0.933 111 G HN 0.262 nan 8.290 nan 0.000 0.503 112 P HA 0.042 nan 4.420 nan 0.000 0.241 112 P C 0.012 177.343 177.300 0.052 0.000 1.191 112 P CA 0.424 63.567 63.100 0.071 0.000 0.771 112 P CB 0.595 32.362 31.700 0.112 0.000 0.929 113 D N 0.236 120.668 120.400 0.054 0.000 2.387 113 D HA 0.102 4.745 4.640 0.005 0.000 0.251 113 D C 0.017 176.357 176.300 0.066 0.000 1.141 113 D CA -0.016 54.010 54.000 0.042 0.000 0.987 113 D CB 0.939 41.765 40.800 0.044 0.000 1.116 113 D HN -0.118 nan 8.370 nan 0.000 0.491 114 T N 1.877 116.450 114.554 0.032 0.000 2.830 114 T HA -0.105 4.248 4.350 0.005 0.000 0.282 114 T C 0.159 174.942 174.700 0.139 0.000 1.024 114 T CA 0.404 62.527 62.100 0.038 0.000 1.144 114 T CB 0.037 68.892 68.868 -0.021 0.000 1.035 114 T HN 0.391 nan 8.240 nan 0.000 0.507 115 D N 1.726 122.188 120.400 0.103 0.000 2.882 115 D HA -0.245 4.399 4.640 0.005 0.000 0.229 115 D C 1.158 177.526 176.300 0.113 0.000 1.167 115 D CA 1.606 55.681 54.000 0.125 0.000 0.759 115 D CB -1.416 39.488 40.800 0.174 0.000 1.088 115 D HN 1.231 nan 8.370 nan 0.000 0.425 116 G N -1.447 107.401 108.800 0.080 0.000 2.175 116 G HA2 -0.358 3.606 3.960 0.005 0.000 0.244 116 G HA3 -0.358 3.606 3.960 0.005 0.000 0.244 116 G C 0.191 175.064 174.900 -0.045 0.000 0.982 116 G CA 0.250 45.351 45.100 0.000 0.000 0.641 116 G HN 0.426 nan 8.290 nan 0.000 0.527 117 Y N 1.720 122.007 120.300 -0.023 0.000 2.299 117 Y HA 0.453 5.006 4.550 0.005 0.000 0.335 117 Y C 1.167 177.040 175.900 -0.045 0.000 1.287 117 Y CA 0.009 58.086 58.100 -0.038 0.000 1.424 117 Y CB 0.514 38.944 38.460 -0.050 0.000 1.326 117 Y HN 0.107 nan 8.280 nan 0.000 0.567 118 D N 0.254 120.709 120.400 0.091 0.000 2.423 118 D HA 0.112 4.755 4.640 0.005 0.000 0.255 118 D C -0.668 175.619 176.300 -0.021 0.000 1.174 118 D CA -0.318 53.685 54.000 0.006 0.000 1.008 118 D CB 0.503 41.268 40.800 -0.059 0.000 1.101 118 D HN 0.439 nan 8.370 nan 0.000 0.516 119 N N 0.303 118.970 118.700 -0.055 0.000 2.518 119 N HA 0.235 4.978 4.740 0.005 0.000 0.283 119 N C -0.080 175.329 175.510 -0.168 0.000 1.119 119 N CA -0.299 52.706 53.050 -0.075 0.000 0.983 119 N CB 1.029 39.498 38.487 -0.031 0.000 1.139 119 N HN 0.235 nan 8.380 nan 0.000 0.465 120 L N 1.187 122.320 121.223 -0.150 0.000 2.436 120 L HA 0.378 4.721 4.340 0.005 0.000 0.265 120 L C 1.031 177.884 176.870 -0.028 0.000 1.168 120 L CA -0.557 54.183 54.840 -0.166 0.000 0.815 120 L CB 0.556 42.588 42.059 -0.046 0.000 1.109 120 L HN 0.489 nan 8.230 nan 0.000 0.462 121 A N 1.806 124.687 122.820 0.103 0.000 2.271 121 A HA 0.457 4.780 4.320 0.005 0.000 0.288 121 A C 0.082 177.730 177.584 0.106 0.000 1.094 121 A CA -0.316 51.797 52.037 0.126 0.000 0.828 121 A CB 1.086 20.212 19.000 0.210 0.000 1.091 121 A HN 0.649 nan 8.150 nan 0.000 0.493 122 S N -0.564 115.182 115.700 0.077 0.000 2.593 122 S HA 0.397 4.871 4.470 0.005 0.000 0.269 122 S C 1.039 175.662 174.600 0.039 0.000 1.334 122 S CA 0.081 58.309 58.200 0.046 0.000 1.015 122 S CB 0.872 64.075 63.200 0.005 0.000 0.912 122 S HN 1.506 nan 8.310 nan 0.000 0.541 123 A N 2.901 125.721 122.820 0.001 0.000 2.238 123 A HA 0.285 4.609 4.320 0.005 0.000 0.210 123 A C 1.317 178.788 177.584 -0.187 0.000 1.179 123 A CA 0.299 52.295 52.037 -0.067 0.000 0.827 123 A CB -0.562 18.405 19.000 -0.054 0.000 0.856 123 A HN 0.978 nan 8.150 nan 0.000 0.488 124 I N -5.334 115.179 120.570 -0.094 0.000 3.947 124 I HA 0.428 4.601 4.170 0.005 0.000 0.327 124 I C 1.154 177.311 176.117 0.067 0.000 1.519 124 I CA 0.309 61.608 61.300 -0.003 0.000 1.122 124 I CB 0.315 38.314 38.000 -0.002 0.000 1.146 124 I HN -0.030 nan 8.210 nan 0.000 0.442 125 G N 1.391 110.179 108.800 -0.019 0.000 2.712 125 G HA2 0.374 4.337 3.960 0.005 0.000 0.212 125 G HA3 0.374 4.337 3.960 0.005 0.000 0.212 125 G C 0.791 175.589 174.900 -0.170 0.000 1.142 125 G CA 0.644 45.570 45.100 -0.290 0.000 0.789 125 G HN 0.541 nan 8.290 nan 0.000 0.535 126 A N 1.123 124.040 122.820 0.162 0.000 3.308 126 A HA 0.596 4.919 4.320 0.005 0.000 0.275 126 A C -2.660 175.139 177.584 0.358 0.000 0.950 126 A CA -1.000 51.209 52.037 0.287 0.000 0.987 126 A CB 0.849 20.003 19.000 0.256 0.000 1.146 126 A HN 0.136 nan 8.150 nan 0.000 0.488 127 P HA 0.352 nan 4.420 nan 0.000 0.271 127 P C 0.032 177.416 177.300 0.141 0.000 1.220 127 P CA 0.431 63.602 63.100 0.117 0.000 0.768 127 P CB 1.527 33.288 31.700 0.101 0.000 0.848 128 V N 0.173 120.123 119.914 0.061 0.000 3.103 128 V HA 0.890 5.013 4.120 0.005 0.000 0.311 128 V C -0.596 175.477 176.094 -0.035 0.000 1.322 128 V CA -0.938 61.423 62.300 0.103 0.000 1.063 128 V CB 1.599 33.546 31.823 0.207 0.000 1.090 128 V HN 0.665 nan 8.190 nan 0.000 0.462 129 T N -0.338 114.174 114.554 -0.069 0.000 3.011 129 T HA 0.736 5.090 4.350 0.005 0.000 0.303 129 T C -1.297 173.259 174.700 -0.240 0.000 0.997 129 T CA -0.321 61.702 62.100 -0.128 0.000 1.007 129 T CB 1.156 69.975 68.868 -0.082 0.000 1.017 129 T HN 0.723 nan 8.240 nan 0.000 0.443 130 L N 3.844 124.893 121.223 -0.289 0.000 2.264 130 L HA 0.517 4.860 4.340 0.005 0.000 0.287 130 L C 0.728 177.447 176.870 -0.252 0.000 1.039 130 L CA 0.111 54.702 54.840 -0.416 0.000 0.829 130 L CB 0.422 42.179 42.059 -0.502 0.000 1.211 130 L HN 0.985 nan 8.230 nan 0.000 0.427 131 N N 3.420 121.987 118.700 -0.222 0.000 2.738 131 N HA -0.192 4.551 4.740 0.005 0.000 0.249 131 N C 0.937 176.385 175.510 -0.104 0.000 1.047 131 N CA 1.214 54.178 53.050 -0.143 0.000 0.707 131 N CB -0.779 37.632 38.487 -0.127 0.000 0.937 131 N HN 1.051 nan 8.380 nan 0.000 0.545 132 G N -1.284 107.457 108.800 -0.098 0.000 2.179 132 G HA2 -0.334 3.629 3.960 0.005 0.000 0.260 132 G HA3 -0.334 3.629 3.960 0.005 0.000 0.260 132 G C -0.188 174.674 174.900 -0.062 0.000 0.977 132 G CA 0.642 45.702 45.100 -0.067 0.000 0.641 132 G HN 0.649 nan 8.290 nan 0.000 0.533 133 Q N -0.082 119.669 119.800 -0.082 0.000 2.316 133 Q HA 0.514 4.857 4.340 0.005 0.000 0.264 133 Q C 0.110 176.062 176.000 -0.079 0.000 0.987 133 Q CA -0.742 55.022 55.803 -0.065 0.000 0.852 133 Q CB 1.915 30.619 28.738 -0.057 0.000 1.287 133 Q HN 0.302 nan 8.270 nan 0.000 0.448 134 K N 1.329 121.690 120.400 -0.064 0.000 2.382 134 K HA 0.471 4.795 4.320 0.005 0.000 0.275 134 K C -1.080 175.448 176.600 -0.120 0.000 1.009 134 K CA 0.135 56.358 56.287 -0.107 0.000 0.970 134 K CB 0.446 32.888 32.500 -0.096 0.000 0.934 134 K HN 0.698 nan 8.250 nan 0.000 0.479 135 A N 3.546 126.242 122.820 -0.207 0.000 2.599 135 A HA 0.532 4.856 4.320 0.005 0.000 0.290 135 A C -2.095 175.332 177.584 -0.261 0.000 1.101 135 A CA -0.760 51.205 52.037 -0.120 0.000 0.674 135 A CB 0.766 19.771 19.000 0.008 0.000 1.277 135 A HN 0.619 nan 8.150 nan 0.000 0.419 136 Y N -0.149 120.258 120.300 0.178 0.000 2.409 136 Y HA 0.584 5.139 4.550 0.008 0.000 0.343 136 Y C 1.008 176.979 175.900 0.119 0.000 0.973 136 Y CA 0.220 58.412 58.100 0.153 0.000 1.064 136 Y CB 2.321 40.849 38.460 0.114 0.000 1.207 136 Y HN 1.001 nan 8.280 nan 0.000 0.452 137 G N 0.763 109.756 108.800 0.322 0.000 2.531 137 G HA2 0.508 4.471 3.960 0.005 0.000 0.281 137 G HA3 0.508 4.471 3.960 0.005 0.000 0.281 137 G C -1.277 173.625 174.900 0.003 0.000 1.382 137 G CA -0.748 44.424 45.100 0.121 0.000 1.045 137 G HN 0.386 nan 8.290 nan 0.000 0.533 138 V N 0.493 120.348 119.914 -0.097 0.000 2.266 138 V HA 0.259 4.382 4.120 0.005 0.000 0.271 138 V C -0.952 175.168 176.094 0.043 0.000 1.032 138 V CA -0.553 61.752 62.300 0.009 0.000 0.806 138 V CB 0.596 32.445 31.823 0.043 0.000 1.052 138 V HN 0.504 nan 8.190 nan 0.000 0.449 139 F N 5.943 125.857 119.950 -0.060 0.000 2.438 139 F HA 0.532 5.061 4.527 0.004 0.000 0.360 139 F C 0.386 176.170 175.800 -0.027 0.000 1.118 139 F CA -0.091 57.865 58.000 -0.073 0.000 1.164 139 F CB 0.603 39.501 39.000 -0.171 0.000 1.131 139 F HN 0.367 nan 8.300 nan 0.000 0.527 140 M N 6.345 125.837 119.600 -0.181 0.000 2.114 140 M HA 0.279 4.762 4.480 0.005 0.000 0.332 140 M C -0.129 176.016 176.300 -0.258 0.000 1.014 140 M CA -0.615 54.627 55.300 -0.097 0.000 0.956 140 M CB 1.533 34.170 32.600 0.062 0.000 1.551 140 M HN 0.561 nan 8.290 nan 0.000 0.427 141 S N 2.693 118.262 115.700 -0.219 0.000 2.632 141 S HA 0.624 5.097 4.470 0.005 0.000 0.271 141 S C -2.708 171.713 174.600 -0.299 0.000 1.260 141 S CA -1.553 56.394 58.200 -0.422 0.000 1.010 141 S CB 0.381 63.043 63.200 -0.896 0.000 0.965 141 S HN 0.355 nan 8.310 nan 0.000 0.534 142 P HA 0.196 nan 4.420 nan 0.000 0.261 142 P C 0.987 178.298 177.300 0.019 0.000 1.173 142 P CA 1.616 64.685 63.100 -0.052 0.000 0.760 142 P CB -0.030 31.697 31.700 0.045 0.000 0.783 143 G N 1.286 110.098 108.800 0.020 0.000 2.176 143 G HA2 -0.177 3.787 3.960 0.005 0.000 0.232 143 G HA3 -0.177 3.787 3.960 0.005 0.000 0.232 143 G C 0.152 175.051 174.900 -0.001 0.000 0.986 143 G CA -0.074 45.051 45.100 0.040 0.000 0.643 143 G HN 0.601 nan 8.290 nan 0.000 0.522 144 T N 0.284 114.817 114.554 -0.035 0.000 2.859 144 T HA 0.727 5.080 4.350 0.005 0.000 0.281 144 T C 0.295 174.934 174.700 -0.103 0.000 1.005 144 T CA 0.296 62.348 62.100 -0.080 0.000 1.025 144 T CB 2.031 70.863 68.868 -0.060 0.000 0.977 144 T HN 1.584 nan 8.240 nan 0.000 0.458 145 G N 1.477 110.143 108.800 -0.223 0.000 2.716 145 G HA2 0.514 4.477 3.960 0.005 0.000 0.299 145 G HA3 0.514 4.477 3.960 0.005 0.000 0.299 145 G C -2.126 172.564 174.900 -0.349 0.000 1.450 145 G CA -0.721 44.258 45.100 -0.202 0.000 0.968 145 G HN 0.530 nan 8.290 nan 0.000 0.566 146 Y N 0.474 120.712 120.300 -0.103 0.000 2.487 146 Y HA 0.874 5.428 4.550 0.006 0.000 0.337 146 Y C 0.705 176.537 175.900 -0.114 0.000 1.076 146 Y CA -0.697 57.345 58.100 -0.096 0.000 1.115 146 Y CB 2.575 40.953 38.460 -0.137 0.000 1.235 146 Y HN 0.729 nan 8.280 nan 0.000 0.468 147 R N 1.544 122.090 120.500 0.076 0.000 2.692 147 R HA 0.384 4.727 4.340 0.005 0.000 0.269 147 R C -2.174 174.144 176.300 0.029 0.000 1.030 147 R CA -0.696 55.408 56.100 0.007 0.000 0.882 147 R CB 1.559 31.847 30.300 -0.020 0.000 1.250 147 R HN 0.740 nan 8.270 nan 0.000 0.465 148 N N 2.260 120.962 118.700 0.004 0.000 2.653 148 N HA 0.135 4.878 4.740 0.005 0.000 0.261 148 N C -1.155 174.357 175.510 0.003 0.000 1.216 148 N CA -0.307 52.758 53.050 0.025 0.000 0.784 148 N CB 0.982 39.495 38.487 0.044 0.000 1.327 148 N HN 0.621 nan 8.380 nan 0.000 0.539 149 N N 1.281 119.983 118.700 0.003 0.000 2.521 149 N HA -0.060 4.684 4.740 0.005 0.000 0.188 149 N C -0.600 174.908 175.510 -0.002 0.000 1.146 149 N CA 0.624 53.669 53.050 -0.008 0.000 0.893 149 N CB 0.374 38.854 38.487 -0.012 0.000 0.975 149 N HN 0.690 nan 8.380 nan 0.000 0.451 150 E N -0.681 119.523 120.200 0.006 0.000 3.352 150 E HA 0.565 4.918 4.350 0.005 0.000 0.254 150 E C -0.892 175.710 176.600 0.004 0.000 1.229 150 E CA -0.649 55.754 56.400 0.005 0.000 0.949 150 E CB 0.708 30.415 29.700 0.012 0.000 1.373 150 E HN -0.016 nan 8.360 nan 0.000 0.392 151 A N 1.394 124.212 122.820 -0.003 0.000 2.242 151 A HA 0.767 5.090 4.320 0.005 0.000 0.304 151 A C -0.032 177.546 177.584 -0.010 0.000 1.100 151 A CA -0.447 51.586 52.037 -0.006 0.000 0.860 151 A CB 1.283 20.280 19.000 -0.006 0.000 1.168 151 A HN 0.322 nan 8.150 nan 0.000 0.503 152 T N -0.556 113.989 114.554 -0.014 0.000 2.879 152 T HA 0.565 4.918 4.350 0.005 0.000 0.290 152 T C 0.742 175.435 174.700 -0.012 0.000 0.993 152 T CA 0.618 62.711 62.100 -0.013 0.000 0.975 152 T CB 1.344 70.204 68.868 -0.014 0.000 0.981 152 T HN 2.148 nan 8.240 nan 0.000 0.439 153 G N 2.790 111.584 108.800 -0.009 0.000 2.241 153 G HA2 -0.285 3.678 3.960 0.005 0.000 0.244 153 G HA3 -0.285 3.678 3.960 0.005 0.000 0.244 153 G C 0.442 175.336 174.900 -0.011 0.000 0.998 153 G CA 0.146 45.242 45.100 -0.007 0.000 0.621 153 G HN 1.131 nan 8.290 nan 0.000 0.519 154 T N 0.281 114.825 114.554 -0.017 0.000 2.916 154 T HA 0.635 4.989 4.350 0.005 0.000 0.303 154 T C 0.840 175.527 174.700 -0.023 0.000 1.025 154 T CA 0.523 62.608 62.100 -0.025 0.000 1.142 154 T CB 1.751 70.599 68.868 -0.033 0.000 0.947 154 T HN 1.823 nan 8.240 nan 0.000 0.544 155 A N 3.624 126.431 122.820 -0.022 0.000 2.531 155 A HA 0.513 4.837 4.320 0.005 0.000 0.236 155 A C 1.047 178.616 177.584 -0.025 0.000 1.062 155 A CA -0.040 51.988 52.037 -0.016 0.000 0.760 155 A CB -0.434 18.563 19.000 -0.005 0.000 0.995 155 A HN 1.293 nan 8.150 nan 0.000 0.501 156 T N -0.910 113.630 114.554 -0.024 0.000 2.831 156 T HA 0.780 5.133 4.350 0.005 0.000 0.287 156 T C 0.916 175.590 174.700 -0.043 0.000 1.070 156 T CA 0.258 62.336 62.100 -0.037 0.000 1.010 156 T CB 0.990 69.840 68.868 -0.030 0.000 1.264 156 T HN 2.494 nan 8.240 nan 0.000 0.532 157 G N 1.282 110.043 108.800 -0.065 0.000 2.622 157 G HA2 -0.336 3.628 3.960 0.005 0.000 0.307 157 G HA3 -0.336 3.628 3.960 0.005 0.000 0.307 157 G C 0.312 175.172 174.900 -0.066 0.000 1.226 157 G CA 1.025 46.083 45.100 -0.071 0.000 0.997 157 G HN 1.078 nan 8.290 nan 0.000 0.551 158 D N 1.721 122.096 120.400 -0.041 0.000 2.402 158 D HA 0.261 4.904 4.640 0.005 0.000 0.216 158 D C 0.753 177.052 176.300 -0.002 0.000 1.128 158 D CA 0.296 54.281 54.000 -0.025 0.000 0.833 158 D CB -0.088 40.698 40.800 -0.022 0.000 0.971 158 D HN 0.579 nan 8.370 nan 0.000 0.503 159 E N 0.615 120.814 120.200 -0.002 0.000 2.481 159 E HA 0.216 4.569 4.350 0.005 0.000 0.263 159 E C 0.083 176.708 176.600 0.041 0.000 0.992 159 E CA -0.059 56.350 56.400 0.015 0.000 0.938 159 E CB 0.777 30.481 29.700 0.007 0.000 0.933 159 E HN 0.243 nan 8.360 nan 0.000 0.453 160 A N 3.625 126.486 122.820 0.068 0.000 2.386 160 A HA 0.266 4.589 4.320 0.005 0.000 0.248 160 A C 0.158 177.806 177.584 0.108 0.000 1.082 160 A CA -0.099 52.018 52.037 0.133 0.000 0.789 160 A CB 0.365 19.475 19.000 0.182 0.000 1.025 160 A HN 0.734 nan 8.150 nan 0.000 0.490 161 E N 0.176 120.451 120.200 0.125 0.000 2.416 161 E HA 0.625 4.978 4.350 0.005 0.000 0.280 161 E C -0.552 176.053 176.600 0.008 0.000 1.055 161 E CA -0.761 55.665 56.400 0.042 0.000 0.825 161 E CB 1.278 30.985 29.700 0.012 0.000 1.312 161 E HN 1.024 nan 8.360 nan 0.000 0.452 162 G N 1.176 109.940 108.800 -0.059 0.000 2.659 162 G HA2 0.683 4.646 3.960 0.005 0.000 0.296 162 G HA3 0.683 4.646 3.960 0.005 0.000 0.296 162 G C -0.581 174.279 174.900 -0.067 0.000 1.369 162 G CA -0.887 44.166 45.100 -0.079 0.000 0.937 162 G HN 0.652 nan 8.290 nan 0.000 0.485 163 M N 0.192 119.816 119.600 0.039 0.000 2.721 163 M HA 0.839 5.322 4.480 0.005 0.000 0.271 163 M C -1.618 174.867 176.300 0.308 0.000 1.259 163 M CA -1.144 54.221 55.300 0.109 0.000 0.835 163 M CB 2.530 35.163 32.600 0.056 0.000 1.689 163 M HN 0.999 nan 8.290 nan 0.000 0.470 164 Y N -1.045 119.411 120.300 0.259 0.000 2.713 164 Y HA 0.931 5.485 4.550 0.006 0.000 0.335 164 Y C -2.275 173.807 175.900 0.304 0.000 1.222 164 Y CA -0.536 57.721 58.100 0.261 0.000 1.061 164 Y CB 0.906 39.504 38.460 0.230 0.000 1.314 164 Y HN 1.309 nan 8.280 nan 0.000 0.453 165 A N 0.880 123.888 122.820 0.312 0.000 2.608 165 A HA 0.697 5.020 4.320 0.005 0.000 0.292 165 A C -2.365 175.353 177.584 0.224 0.000 1.066 165 A CA -0.577 51.517 52.037 0.094 0.000 0.676 165 A CB 1.447 20.553 19.000 0.176 0.000 1.277 165 A HN 1.117 nan 8.150 nan 0.000 0.413 166 V N 2.257 122.209 119.914 0.063 0.000 2.350 166 V HA 0.533 4.656 4.120 0.005 0.000 0.285 166 V C -0.233 175.954 176.094 0.155 0.000 1.014 166 V CA -0.081 62.268 62.300 0.081 0.000 0.831 166 V CB 0.484 32.252 31.823 -0.092 0.000 1.000 166 V HN 0.725 nan 8.190 nan 0.000 0.433 167 L N 2.427 123.780 121.223 0.215 0.000 2.260 167 L HA 0.703 5.046 4.340 0.005 0.000 0.265 167 L C -0.273 176.746 176.870 0.247 0.000 1.015 167 L CA -0.885 54.089 54.840 0.224 0.000 0.826 167 L CB 1.443 43.608 42.059 0.176 0.000 1.373 167 L HN 0.402 nan 8.230 nan 0.000 0.450 168 D N 0.153 120.642 120.400 0.149 0.000 2.396 168 D HA 0.177 4.820 4.640 0.005 0.000 0.225 168 D C 0.917 177.242 176.300 0.042 0.000 1.121 168 D CA -0.285 53.777 54.000 0.103 0.000 0.853 168 D CB 1.836 42.710 40.800 0.124 0.000 1.043 168 D HN 0.638 nan 8.370 nan 0.000 0.500 169 G N 2.530 111.345 108.800 0.026 0.000 2.653 169 G HA2 -0.188 3.776 3.960 0.005 0.000 0.212 169 G HA3 -0.188 3.776 3.960 0.005 0.000 0.212 169 G C 1.136 176.072 174.900 0.061 0.000 1.138 169 G CA 1.198 46.296 45.100 -0.003 0.000 0.782 169 G HN 0.567 nan 8.290 nan 0.000 0.535 170 T N -4.197 110.439 114.554 0.136 0.000 3.084 170 T HA 0.258 4.611 4.350 0.005 0.000 0.270 170 T C 0.199 175.070 174.700 0.284 0.000 1.008 170 T CA -0.464 61.771 62.100 0.224 0.000 0.900 170 T CB -0.076 68.861 68.868 0.116 0.000 1.084 170 T HN 0.354 nan 8.240 nan 0.000 0.538 171 H N 0.580 119.730 119.070 0.132 0.000 2.646 171 H HA 0.555 5.114 4.556 0.005 0.000 0.328 171 H C -1.269 174.000 175.328 -0.098 0.000 0.998 171 H CA -0.977 55.031 56.048 -0.066 0.000 1.225 171 H CB 1.004 30.621 29.762 -0.241 0.000 1.457 171 H HN 0.449 nan 8.280 nan 0.000 0.505 172 Y N 2.353 122.468 120.300 -0.308 0.000 3.069 172 Y HA 0.191 4.743 4.550 0.004 0.000 0.401 172 Y C -2.029 173.752 175.900 -0.198 0.000 1.245 172 Y CA -1.085 56.767 58.100 -0.413 0.000 1.142 172 Y CB 0.167 38.418 38.460 -0.348 0.000 1.904 172 Y HN 0.707 nan 8.280 nan 0.000 0.431 173 N N -1.121 117.589 118.700 0.017 0.000 3.522 173 N HA 0.354 5.097 4.740 0.005 0.000 0.328 173 N C -1.007 174.632 175.510 0.216 0.000 1.623 173 N CA -0.157 52.907 53.050 0.024 0.000 0.812 173 N CB 0.212 38.676 38.487 -0.038 0.000 2.008 173 N HN 0.692 nan 8.380 nan 0.000 0.601 174 D N -1.584 118.909 120.400 0.155 0.000 2.398 174 D HA 0.410 5.054 4.640 0.005 0.000 0.210 174 D C 0.158 176.576 176.300 0.196 0.000 1.094 174 D CA -0.240 53.881 54.000 0.202 0.000 0.839 174 D CB -0.073 40.805 40.800 0.130 0.000 0.963 174 D HN 0.723 nan 8.370 nan 0.000 0.506 175 A N 0.215 123.124 122.820 0.150 0.000 2.371 175 A HA 0.397 4.720 4.320 0.005 0.000 0.257 175 A C 0.290 178.002 177.584 0.212 0.000 1.089 175 A CA -0.649 51.465 52.037 0.128 0.000 0.794 175 A CB 0.361 19.398 19.000 0.061 0.000 1.029 175 A HN 0.475 nan 8.150 nan 0.000 0.488 176 C N 2.347 121.773 119.300 0.210 0.000 2.576 176 C HA 0.578 5.041 4.460 0.005 0.000 0.401 176 C C -0.043 175.020 174.990 0.121 0.000 1.314 176 C CA -0.156 59.009 59.018 0.246 0.000 1.855 176 C CB -1.956 25.964 27.740 0.300 0.000 2.537 176 C HN 0.775 nan 8.230 nan 0.000 0.578 177 C N 5.841 125.229 119.300 0.148 0.000 2.931 177 C HA 0.332 4.795 4.460 0.005 0.000 0.370 177 C C -0.776 174.353 174.990 0.231 0.000 1.071 177 C CA -0.692 58.506 59.018 0.300 0.000 1.266 177 C CB 0.945 28.792 27.740 0.178 0.000 1.691 177 C HN 0.861 nan 8.230 nan 0.000 0.511 178 F N 4.126 124.118 119.950 0.070 0.000 2.377 178 F HA 0.440 4.970 4.527 0.006 0.000 0.360 178 F C 0.079 175.830 175.800 -0.082 0.000 1.147 178 F CA 0.431 58.366 58.000 -0.108 0.000 1.170 178 F CB -0.098 38.753 39.000 -0.249 0.000 1.339 178 F HN 0.556 nan 8.300 nan 0.000 0.552 179 D N 3.646 123.802 120.400 -0.408 0.000 2.414 179 D HA 0.327 4.970 4.640 0.005 0.000 0.241 179 D C -1.665 174.440 176.300 -0.325 0.000 1.008 179 D CA -0.106 53.751 54.000 -0.239 0.000 1.001 179 D CB 1.659 42.404 40.800 -0.092 0.000 1.277 179 D HN 0.405 nan 8.370 nan 0.000 0.538 180 Y N -0.137 119.999 120.300 -0.273 0.000 2.274 180 Y HA 0.501 5.054 4.550 0.006 0.000 0.323 180 Y C -0.419 175.403 175.900 -0.129 0.000 1.171 180 Y CA -0.175 57.761 58.100 -0.274 0.000 1.163 180 Y CB 0.779 39.084 38.460 -0.257 0.000 1.183 180 Y HN 0.570 nan 8.280 nan 0.000 0.424 181 G N 3.807 112.218 108.800 -0.648 0.000 2.367 181 G HA2 0.027 3.991 3.960 0.005 0.000 0.272 181 G HA3 0.027 3.991 3.960 0.005 0.000 0.272 181 G C -1.725 172.987 174.900 -0.313 0.000 1.271 181 G CA -1.203 43.608 45.100 -0.482 0.000 0.893 181 G HN 0.502 nan 8.290 nan 0.000 0.485 182 N N 1.154 119.740 118.700 -0.191 0.000 2.497 182 N HA 0.598 5.341 4.740 0.005 0.000 0.271 182 N C 0.032 175.483 175.510 -0.098 0.000 1.142 182 N CA 0.871 53.844 53.050 -0.128 0.000 0.965 182 N CB 1.270 39.705 38.487 -0.087 0.000 1.077 182 N HN 1.033 nan 8.380 nan 0.000 0.462 183 A N 2.784 125.554 122.820 -0.084 0.000 2.564 183 A HA 0.514 4.837 4.320 0.005 0.000 0.288 183 A C -0.923 176.642 177.584 -0.031 0.000 1.164 183 A CA -0.691 51.310 52.037 -0.059 0.000 0.712 183 A CB 0.747 19.702 19.000 -0.075 0.000 1.303 183 A HN 0.607 nan 8.150 nan 0.000 0.418 184 E N 0.478 120.670 120.200 -0.014 0.000 2.360 184 E HA 0.302 4.656 4.350 0.005 0.000 0.269 184 E C 1.063 177.653 176.600 -0.017 0.000 1.022 184 E CA 0.617 57.020 56.400 0.004 0.000 0.887 184 E CB 0.530 30.227 29.700 -0.005 0.000 0.990 184 E HN 0.656 nan 8.360 nan 0.000 0.426 185 T N -1.618 112.931 114.554 -0.009 0.000 3.163 185 T HA -0.108 4.245 4.350 0.005 0.000 0.260 185 T C 1.302 175.987 174.700 -0.025 0.000 1.156 185 T CA 0.711 62.801 62.100 -0.016 0.000 1.072 185 T CB -0.110 68.753 68.868 -0.009 0.000 0.937 185 T HN 0.364 nan 8.240 nan 0.000 0.528 186 S N -0.171 115.509 115.700 -0.034 0.000 2.539 186 S HA 0.324 4.798 4.470 0.005 0.000 0.221 186 S C 0.996 175.561 174.600 -0.059 0.000 0.987 186 S CA 0.169 58.341 58.200 -0.047 0.000 0.929 186 S CB -0.238 62.930 63.200 -0.054 0.000 0.832 186 S HN 0.376 nan 8.310 nan 0.000 0.492 187 S N 0.898 116.566 115.700 -0.055 0.000 3.382 187 S HA -0.139 4.335 4.470 0.005 0.000 0.293 187 S C 0.354 174.916 174.600 -0.064 0.000 1.262 187 S CA 1.173 59.338 58.200 -0.059 0.000 0.969 187 S CB -2.457 60.701 63.200 -0.071 0.000 1.136 187 S HN 1.192 nan 8.310 nan 0.000 0.635 188 T N -1.354 113.156 114.554 -0.073 0.000 2.924 188 T HA 0.593 4.946 4.350 0.005 0.000 0.291 188 T C -0.912 173.731 174.700 -0.094 0.000 1.045 188 T CA -0.805 61.240 62.100 -0.091 0.000 1.015 188 T CB 1.883 70.686 68.868 -0.109 0.000 1.103 188 T HN 0.004 nan 8.240 nan 0.000 0.496 189 D N 1.995 122.338 120.400 -0.096 0.000 2.367 189 D HA 0.121 4.765 4.640 0.005 0.000 0.255 189 D C 1.332 177.537 176.300 -0.157 0.000 1.300 189 D CA -0.186 53.755 54.000 -0.099 0.000 0.959 189 D CB 0.386 41.147 40.800 -0.065 0.000 1.064 189 D HN 0.699 nan 8.370 nan 0.000 0.509 190 T N 1.013 115.423 114.554 -0.240 0.000 3.235 190 T HA 0.483 4.836 4.350 0.005 0.000 0.251 190 T C 0.919 175.299 174.700 -0.534 0.000 1.060 190 T CA -0.045 61.801 62.100 -0.424 0.000 0.949 190 T CB -0.400 68.101 68.868 -0.612 0.000 1.020 190 T HN 0.577 nan 8.240 nan 0.000 0.564 191 G N 0.725 109.365 108.800 -0.266 0.000 2.619 191 G HA2 0.375 4.338 3.960 0.005 0.000 0.686 191 G HA3 0.375 4.338 3.960 0.005 0.000 0.686 191 G C -0.122 174.760 174.900 -0.029 0.000 1.256 191 G CA -0.645 44.367 45.100 -0.146 0.000 0.826 191 G HN 1.024 nan 8.290 nan 0.000 0.619 192 A N -0.160 122.587 122.820 -0.122 0.000 2.613 192 A HA 0.575 4.899 4.320 0.005 0.000 0.230 192 A C 2.244 179.672 177.584 -0.261 0.000 1.051 192 A CA 2.604 54.441 52.037 -0.334 0.000 0.754 192 A CB -0.273 18.228 19.000 -0.832 0.000 0.979 192 A HN 3.007 nan 8.150 nan 0.000 0.510 193 G N 0.457 109.115 108.800 -0.236 0.000 2.168 193 G HA2 -0.246 3.717 3.960 0.005 0.000 0.263 193 G HA3 -0.246 3.717 3.960 0.005 0.000 0.263 193 G C 0.449 175.252 174.900 -0.162 0.000 0.977 193 G CA 0.748 45.766 45.100 -0.136 0.000 0.659 193 G HN 1.062 nan 8.290 nan 0.000 0.533 194 H N -0.695 118.324 119.070 -0.084 0.000 2.507 194 H HA 0.475 5.034 4.556 0.005 0.000 0.294 194 H C 1.068 176.360 175.328 -0.059 0.000 1.064 194 H CA 0.711 56.717 56.048 -0.070 0.000 1.138 194 H CB 0.185 29.901 29.762 -0.077 0.000 1.515 194 H HN 0.424 nan 8.280 nan 0.000 0.547 195 M N -0.125 119.480 119.600 0.008 0.000 2.603 195 M HA 0.180 4.663 4.480 0.005 0.000 0.275 195 M C -1.077 175.206 176.300 -0.028 0.000 1.226 195 M CA -0.439 54.850 55.300 -0.017 0.000 0.870 195 M CB 3.711 36.296 32.600 -0.025 0.000 1.716 195 M HN -0.022 nan 8.290 nan 0.000 0.482 196 E N 1.281 121.457 120.200 -0.041 0.000 2.956 196 E HA 0.539 4.892 4.350 0.005 0.000 0.353 196 E C -1.993 174.586 176.600 -0.036 0.000 1.131 196 E CA -0.176 56.206 56.400 -0.030 0.000 0.851 196 E CB 1.019 30.707 29.700 -0.019 0.000 1.500 196 E HN 0.724 nan 8.360 nan 0.000 0.384 197 A N 2.840 125.644 122.820 -0.027 0.000 2.374 197 A HA 0.681 5.004 4.320 0.005 0.000 0.317 197 A C -0.245 177.377 177.584 0.063 0.000 1.094 197 A CA -0.679 51.337 52.037 -0.035 0.000 0.765 197 A CB 0.868 19.817 19.000 -0.083 0.000 1.268 197 A HN 0.488 nan 8.150 nan 0.000 0.438 198 I N 1.099 121.728 120.570 0.098 0.000 2.754 198 I HA 0.131 4.305 4.170 0.005 0.000 0.285 198 I C -0.393 175.856 176.117 0.220 0.000 1.166 198 I CA 0.572 61.991 61.300 0.199 0.000 1.417 198 I CB 0.470 38.619 38.000 0.248 0.000 1.382 198 I HN 0.714 nan 8.210 nan 0.000 0.588 199 Y N 6.573 126.969 120.300 0.161 0.000 2.457 199 Y HA 0.633 5.187 4.550 0.006 0.000 0.343 199 Y C -1.689 174.345 175.900 0.223 0.000 0.994 199 Y CA -1.126 57.076 58.100 0.169 0.000 1.031 199 Y CB 1.581 40.120 38.460 0.133 0.000 1.246 199 Y HN 0.414 nan 8.280 nan 0.000 0.449 200 L N 5.940 126.805 121.223 -0.598 0.000 2.491 200 L HA 0.942 5.285 4.340 0.005 0.000 0.267 200 L C -0.718 175.771 176.870 -0.635 0.000 0.971 200 L CA 0.226 54.848 54.840 -0.364 0.000 0.857 200 L CB 1.550 43.556 42.059 -0.088 0.000 1.226 200 L HN 0.890 nan 8.230 nan 0.000 0.408 201 G N 3.036 111.592 108.800 -0.407 0.000 2.320 201 G HA2 0.168 4.131 3.960 0.005 0.000 0.296 201 G HA3 0.168 4.131 3.960 0.005 0.000 0.296 201 G C -1.193 173.708 174.900 0.000 0.000 1.306 201 G CA -0.108 44.886 45.100 -0.176 0.000 0.836 201 G HN 0.707 nan 8.290 nan 0.000 0.517 202 N N -0.394 118.351 118.700 0.074 0.000 2.401 202 N HA 0.175 4.918 4.740 0.005 0.000 0.264 202 N C 0.370 176.096 175.510 0.359 0.000 1.238 202 N CA 0.323 53.316 53.050 -0.096 0.000 0.889 202 N CB 1.033 39.316 38.487 -0.340 0.000 1.196 202 N HN 0.615 nan 8.380 nan 0.000 0.511 203 S N 0.661 116.652 115.700 0.486 0.000 2.568 203 S HA 0.141 4.614 4.470 0.005 0.000 0.282 203 S C 0.987 175.795 174.600 0.347 0.000 1.338 203 S CA 0.536 58.949 58.200 0.355 0.000 1.045 203 S CB 0.505 63.930 63.200 0.375 0.000 0.873 203 S HN 0.480 nan 8.310 nan 0.000 0.516 204 T N 0.184 114.790 114.554 0.087 0.000 3.275 204 T HA 0.203 4.556 4.350 0.005 0.000 0.298 204 T C 1.138 175.714 174.700 -0.206 0.000 0.988 204 T CA -0.015 62.025 62.100 -0.100 0.000 0.936 204 T CB -0.313 68.290 68.868 -0.443 0.000 1.159 204 T HN 0.534 nan 8.240 nan 0.000 0.519 205 T N 1.232 115.595 114.554 -0.318 0.000 2.929 205 T HA 0.044 4.397 4.350 0.005 0.000 0.271 205 T C 0.540 174.676 174.700 -0.941 0.000 1.085 205 T CA 0.960 62.592 62.100 -0.780 0.000 1.125 205 T CB -0.104 67.918 68.868 -1.410 0.000 0.874 205 T HN 0.560 nan 8.240 nan 0.000 0.494 206 W N -0.125 121.120 121.300 -0.092 0.000 4.478 206 W HA 0.530 5.193 4.660 0.005 0.000 0.466 206 W C 1.229 177.684 176.519 -0.107 0.000 3.462 206 W CA -0.547 56.702 57.345 -0.159 0.000 1.151 206 W CB -0.652 28.647 29.460 -0.269 0.000 2.118 206 W HN 0.070 nan 8.180 nan 0.000 0.352 207 G N -0.035 108.831 108.800 0.109 0.000 2.557 207 G HA2 0.525 4.489 3.960 0.005 0.000 0.292 207 G HA3 0.525 4.489 3.960 0.005 0.000 0.292 207 G C -1.687 173.292 174.900 0.130 0.000 1.237 207 G CA -0.002 45.098 45.100 0.000 0.000 0.978 207 G HN 0.454 nan 8.290 nan 0.000 0.498 208 Y N -3.818 116.308 120.300 -0.290 0.000 2.879 208 Y HA 0.535 5.088 4.550 0.005 0.000 0.385 208 Y C -0.020 175.296 175.900 -0.973 0.000 1.153 208 Y CA -0.859 56.801 58.100 -0.733 0.000 1.245 208 Y CB 0.207 38.226 38.460 -0.735 0.000 1.472 208 Y HN 1.051 nan 8.280 nan 0.000 0.490 209 G N 0.570 108.234 108.800 -1.893 0.000 3.119 209 G HA2 0.750 4.713 3.960 0.005 0.000 0.206 209 G HA3 0.750 4.713 3.960 0.005 0.000 0.206 209 G C -0.854 173.771 174.900 -0.459 0.000 1.313 209 G CA -0.678 43.698 45.100 -1.206 0.000 1.010 209 G HN 1.249 nan 8.290 nan 0.000 0.578 210 A N -1.688 121.088 122.820 -0.073 0.000 2.351 210 A HA 0.701 5.024 4.320 0.005 0.000 0.257 210 A C 1.108 178.984 177.584 0.487 0.000 1.087 210 A CA 1.035 53.233 52.037 0.268 0.000 0.798 210 A CB -0.302 18.782 19.000 0.141 0.000 1.033 210 A HN 2.633 nan 8.150 nan 0.000 0.488 211 G N 0.720 109.754 108.800 0.390 0.000 2.642 211 G HA2 -0.175 3.788 3.960 0.005 0.000 0.231 211 G HA3 -0.175 3.788 3.960 0.005 0.000 0.231 211 G C 0.021 175.167 174.900 0.410 0.000 1.338 211 G CA 0.282 45.578 45.100 0.327 0.000 0.883 211 G HN 0.714 nan 8.290 nan 0.000 0.570 212 D N 1.585 122.102 120.400 0.195 0.000 2.348 212 D HA 0.391 5.034 4.640 0.005 0.000 0.211 212 D C 1.618 177.791 176.300 -0.211 0.000 0.998 212 D CA 2.193 56.248 54.000 0.092 0.000 0.873 212 D CB 0.158 40.978 40.800 0.032 0.000 0.925 212 D HN 1.825 nan 8.370 nan 0.000 0.524 213 G N 1.661 110.186 108.800 -0.458 0.000 2.660 213 G HA2 -0.170 3.794 3.960 0.005 0.000 0.247 213 G HA3 -0.170 3.794 3.960 0.005 0.000 0.247 213 G C -2.633 171.807 174.900 -0.766 0.000 1.328 213 G CA -0.705 43.618 45.100 -1.293 0.000 0.884 213 G HN -0.004 nan 8.290 nan 0.000 0.531 214 P HA 0.413 nan 4.420 nan 0.000 0.275 214 P C -0.503 176.237 177.300 -0.933 0.000 1.266 214 P CA -0.057 62.326 63.100 -1.196 0.000 0.793 214 P CB 0.575 31.449 31.700 -1.376 0.000 1.074 215 W N -0.666 120.601 121.300 -0.054 0.000 2.936 215 W HA 0.455 5.119 4.660 0.006 0.000 0.338 215 W C -0.299 176.299 176.519 0.132 0.000 1.121 215 W CA -0.633 56.738 57.345 0.043 0.000 1.209 215 W CB 1.199 30.726 29.460 0.111 0.000 1.420 215 W HN 0.122 nan 8.180 nan 0.000 0.516 216 I N 3.456 124.261 120.570 0.392 0.000 2.312 216 I HA 0.244 4.417 4.170 0.005 0.000 0.291 216 I C 0.202 176.584 176.117 0.441 0.000 1.031 216 I CA 0.055 61.580 61.300 0.374 0.000 1.293 216 I CB 0.318 38.542 38.000 0.373 0.000 1.403 216 I HN 0.131 nan 8.210 nan 0.000 0.484 217 M N 5.522 125.416 119.600 0.491 0.000 2.690 217 M HA 0.531 5.014 4.480 0.005 0.000 0.302 217 M C -0.956 175.569 176.300 0.375 0.000 1.234 217 M CA -1.053 54.505 55.300 0.429 0.000 0.853 217 M CB 2.865 35.684 32.600 0.365 0.000 1.748 217 M HN 0.099 nan 8.290 nan 0.000 0.469 218 V N 1.007 121.100 119.914 0.298 0.000 2.347 218 V HA 0.181 4.305 4.120 0.005 0.000 0.280 218 V C -0.578 175.544 176.094 0.047 0.000 1.021 218 V CA -0.630 61.782 62.300 0.186 0.000 0.847 218 V CB 1.182 33.089 31.823 0.140 0.000 0.990 218 V HN 0.673 nan 8.190 nan 0.000 0.444 219 D N 5.191 125.609 120.400 0.029 0.000 2.338 219 D HA 0.251 4.895 4.640 0.005 0.000 0.255 219 D C 0.437 176.704 176.300 -0.055 0.000 1.237 219 D CA 0.080 54.036 54.000 -0.074 0.000 0.883 219 D CB 1.171 41.930 40.800 -0.067 0.000 1.087 219 D HN 0.486 nan 8.370 nan 0.000 0.485 220 M N 2.438 122.020 119.600 -0.029 0.000 2.404 220 M HA 0.308 4.791 4.480 0.005 0.000 0.271 220 M C 0.111 176.505 176.300 0.157 0.000 1.128 220 M CA -0.260 55.087 55.300 0.079 0.000 0.982 220 M CB 0.375 33.059 32.600 0.140 0.000 1.445 220 M HN 0.531 nan 8.290 nan 0.000 0.495 221 A N 1.211 124.031 122.820 -0.000 0.000 2.435 221 A HA -0.109 4.214 4.320 0.005 0.000 0.686 221 A C 0.387 177.942 177.584 -0.050 0.000 0.138 221 A CA -0.025 51.987 52.037 -0.041 0.000 0.025 221 A CB -1.463 17.549 19.000 0.021 0.000 3.974 221 A HN 0.725 nan 8.150 nan 0.000 0.548 222 N N -0.132 118.445 118.700 -0.205 0.000 2.714 222 N HA -0.210 4.534 4.740 0.005 0.000 0.250 222 N C -0.343 174.966 175.510 -0.334 0.000 1.117 222 N CA 2.107 55.037 53.050 -0.201 0.000 0.719 222 N CB -1.506 36.973 38.487 -0.014 0.000 1.081 222 N HN 1.177 nan 8.380 nan 0.000 0.557 223 N N -0.872 117.444 118.700 -0.641 0.000 4.383 223 N HA 0.193 4.936 4.740 0.005 0.000 0.183 223 N C -1.520 173.539 175.510 -0.753 0.000 1.040 223 N CA -0.495 52.101 53.050 -0.757 0.000 1.126 223 N CB 1.031 39.008 38.487 -0.850 0.000 1.593 223 N HN -0.038 nan 8.380 nan 0.000 0.856 224 L N 3.058 123.896 121.223 -0.641 0.000 2.264 224 L HA 0.549 4.892 4.340 0.005 0.000 0.289 224 L C -0.880 175.756 176.870 -0.390 0.000 1.044 224 L CA -0.428 54.154 54.840 -0.430 0.000 0.807 224 L CB 0.443 42.251 42.059 -0.418 0.000 1.192 224 L HN 0.395 nan 8.230 nan 0.000 0.425 225 F N 0.912 120.758 119.950 -0.173 0.000 2.415 225 F HA 0.186 4.716 4.527 0.005 0.000 0.348 225 F C 1.204 177.031 175.800 0.046 0.000 1.119 225 F CA -0.315 57.606 58.000 -0.133 0.000 1.069 225 F CB 1.905 40.699 39.000 -0.344 0.000 1.124 225 F HN 0.491 nan 8.300 nan 0.000 0.472 226 S N 0.546 116.355 115.700 0.182 0.000 2.540 226 S HA 0.655 5.128 4.470 0.005 0.000 0.218 226 S C 0.560 175.186 174.600 0.042 0.000 0.977 226 S CA 0.156 58.399 58.200 0.072 0.000 0.918 226 S CB -0.015 63.068 63.200 -0.196 0.000 0.806 226 S HN 0.969 nan 8.310 nan 0.000 0.496 227 G N 0.312 109.176 108.800 0.107 0.000 2.360 227 G HA2 0.495 4.458 3.960 0.005 0.000 0.276 227 G HA3 0.495 4.458 3.960 0.005 0.000 0.276 227 G C 0.473 175.251 174.900 -0.203 0.000 1.256 227 G CA -0.096 44.858 45.100 -0.243 0.000 0.890 227 G HN 0.444 nan 8.290 nan 0.000 0.486 228 A N -0.563 122.116 122.820 -0.235 0.000 1.841 228 A HA 0.211 4.534 4.320 0.005 0.000 0.214 228 A C 0.956 178.609 177.584 0.116 0.000 1.195 228 A CA 2.005 54.023 52.037 -0.031 0.000 0.611 228 A CB -0.724 18.343 19.000 0.111 0.000 0.835 228 A HN 0.542 nan 8.150 nan 0.000 0.443 229 D N 0.621 121.109 120.400 0.146 0.000 2.399 229 D HA 0.243 4.887 4.640 0.005 0.000 0.241 229 D C 0.045 176.550 176.300 0.341 0.000 1.133 229 D CA 0.038 54.194 54.000 0.259 0.000 0.890 229 D CB 0.495 41.383 40.800 0.146 0.000 1.201 229 D HN 0.451 nan 8.370 nan 0.000 0.432 230 E N -0.131 120.316 120.200 0.412 0.000 2.398 230 E HA 0.336 4.690 4.350 0.005 0.000 0.263 230 E C 0.866 177.474 176.600 0.013 0.000 1.046 230 E CA 0.279 56.716 56.400 0.062 0.000 0.908 230 E CB 0.572 30.090 29.700 -0.304 0.000 0.963 230 E HN 0.579 nan 8.360 nan 0.000 0.431 231 G N 2.223 110.976 108.800 -0.079 0.000 2.520 231 G HA2 -0.347 3.616 3.960 0.005 0.000 0.248 231 G HA3 -0.347 3.616 3.960 0.005 0.000 0.248 231 G C -0.896 173.911 174.900 -0.155 0.000 1.161 231 G CA 0.084 45.176 45.100 -0.013 0.000 0.946 231 G HN 0.606 nan 8.290 nan 0.000 0.565 232 Y N 3.635 123.708 120.300 -0.378 0.000 2.411 232 Y HA 0.562 5.114 4.550 0.005 0.000 0.333 232 Y C 0.268 175.922 175.900 -0.412 0.000 1.186 232 Y CA 0.081 57.728 58.100 -0.754 0.000 1.381 232 Y CB 0.577 38.656 38.460 -0.635 0.000 1.273 232 Y HN 0.544 nan 8.280 nan 0.000 0.546 233 N N 3.187 121.124 118.700 -1.271 0.000 2.519 233 N HA 0.047 4.790 4.740 0.005 0.000 0.291 233 N C -0.134 174.732 175.510 -1.073 0.000 1.107 233 N CA 0.095 52.626 53.050 -0.865 0.000 0.904 233 N CB 1.941 40.184 38.487 -0.406 0.000 1.500 233 N HN 0.713 nan 8.380 nan 0.000 0.510 234 S N -0.011 115.183 115.700 -0.844 0.000 2.481 234 S HA -0.037 4.437 4.470 0.005 0.000 0.231 234 S C 1.761 176.219 174.600 -0.236 0.000 0.996 234 S CA 0.936 58.855 58.200 -0.469 0.000 0.942 234 S CB -0.076 63.039 63.200 -0.143 0.000 0.768 234 S HN 0.610 nan 8.310 nan 0.000 0.520 235 G N 0.943 109.629 108.800 -0.189 0.000 2.471 235 G HA2 -0.059 3.904 3.960 0.005 0.000 0.219 235 G HA3 -0.059 3.904 3.960 0.005 0.000 0.219 235 G C 0.189 175.046 174.900 -0.071 0.000 1.125 235 G CA 0.454 45.513 45.100 -0.068 0.000 0.775 235 G HN 0.532 nan 8.290 nan 0.000 0.548 236 D N 0.960 121.265 120.400 -0.158 0.000 2.347 236 D HA 0.352 4.995 4.640 0.005 0.000 0.235 236 D C -2.101 174.065 176.300 -0.223 0.000 1.149 236 D CA -2.225 51.670 54.000 -0.175 0.000 0.850 236 D CB 2.018 42.758 40.800 -0.100 0.000 1.061 236 D HN 0.087 nan 8.370 nan 0.000 0.487 237 P HA 0.206 nan 4.420 nan 0.000 0.281 237 P C -0.637 176.693 177.300 0.051 0.000 1.264 237 P CA -0.719 62.278 63.100 -0.171 0.000 0.824 237 P CB 0.990 32.498 31.700 -0.320 0.000 1.092 238 S N 0.964 116.739 115.700 0.124 0.000 2.488 238 S HA 0.264 4.737 4.470 0.005 0.000 0.278 238 S C 0.405 174.913 174.600 -0.153 0.000 1.259 238 S CA -0.155 58.033 58.200 -0.020 0.000 1.061 238 S CB -0.804 62.366 63.200 -0.049 0.000 0.910 238 S HN 0.366 nan 8.310 nan 0.000 0.491 239 I N 3.933 124.384 120.570 -0.199 0.000 2.382 239 I HA 0.321 4.494 4.170 0.005 0.000 0.286 239 I C 0.226 176.151 176.117 -0.320 0.000 1.002 239 I CA -0.109 61.047 61.300 -0.240 0.000 1.135 239 I CB 1.177 39.163 38.000 -0.023 0.000 1.288 239 I HN 0.654 nan 8.210 nan 0.000 0.448 240 S N 4.745 120.173 115.700 -0.453 0.000 2.902 240 S HA 0.317 4.790 4.470 0.005 0.000 0.250 240 S C -0.476 173.993 174.600 -0.218 0.000 1.046 240 S CA -0.524 57.498 58.200 -0.297 0.000 1.069 240 S CB -0.434 62.641 63.200 -0.209 0.000 0.967 240 S HN 0.507 nan 8.310 nan 0.000 0.530 241 Y N 1.831 122.138 120.300 0.011 0.000 2.480 241 Y HA 0.417 4.973 4.550 0.010 0.000 0.338 241 Y C 1.877 177.755 175.900 -0.037 0.000 1.220 241 Y CA -0.928 57.181 58.100 0.015 0.000 1.430 241 Y CB 0.424 38.917 38.460 0.055 0.000 1.311 241 Y HN 0.193 nan 8.280 nan 0.000 0.575 242 R N 0.909 121.449 120.500 0.066 0.000 2.200 242 R HA -0.039 4.304 4.340 0.005 0.000 0.234 242 R C -1.018 174.940 176.300 -0.569 0.000 1.127 242 R CA 1.183 57.133 56.100 -0.249 0.000 0.989 242 R CB -0.380 29.717 30.300 -0.337 0.000 0.869 242 R HN 0.485 nan 8.270 nan 0.000 0.459 243 F N -0.556 119.453 119.950 0.099 0.000 2.771 243 F HA 0.354 4.880 4.527 -0.001 0.000 0.365 243 F C -0.786 175.050 175.800 0.061 0.000 1.169 243 F CA -1.139 56.853 58.000 -0.013 0.000 1.093 243 F CB 1.682 40.598 39.000 -0.140 0.000 1.363 243 F HN -0.388 nan 8.300 nan 0.000 0.496 244 V N 1.813 121.863 119.914 0.228 0.000 2.532 244 V HA 0.519 4.642 4.120 0.005 0.000 0.295 244 V C 0.074 176.282 176.094 0.189 0.000 1.041 244 V CA -0.505 61.933 62.300 0.230 0.000 0.926 244 V CB 2.065 34.002 31.823 0.190 0.000 0.992 244 V HN 0.646 nan 8.190 nan 0.000 0.457 245 T N 4.193 118.857 114.554 0.184 0.000 2.821 245 T HA 0.579 4.932 4.350 0.005 0.000 0.307 245 T C -0.004 174.815 174.700 0.197 0.000 1.034 245 T CA -0.180 62.024 62.100 0.173 0.000 0.953 245 T CB 0.996 69.922 68.868 0.096 0.000 0.968 245 T HN 0.869 nan 8.240 nan 0.000 0.462 246 A N 3.080 126.048 122.820 0.248 0.000 2.253 246 A HA 0.781 5.104 4.320 0.005 0.000 0.316 246 A C 0.249 178.004 177.584 0.284 0.000 1.327 246 A CA -0.766 51.422 52.037 0.251 0.000 0.917 246 A CB 0.228 19.384 19.000 0.261 0.000 1.162 246 A HN 0.920 nan 8.150 nan 0.000 0.535 247 A N 2.751 125.702 122.820 0.218 0.000 2.303 247 A HA 0.699 5.022 4.320 0.005 0.000 0.320 247 A C -0.681 177.012 177.584 0.182 0.000 1.192 247 A CA -0.425 51.743 52.037 0.218 0.000 0.821 247 A CB 0.938 20.017 19.000 0.132 0.000 1.188 247 A HN 1.019 nan 8.150 nan 0.000 0.492 248 V N 3.479 123.509 119.914 0.193 0.000 2.760 248 V HA 0.639 4.762 4.120 0.005 0.000 0.309 248 V C -0.476 175.694 176.094 0.126 0.000 1.077 248 V CA -0.661 61.753 62.300 0.191 0.000 0.910 248 V CB 2.182 34.145 31.823 0.232 0.000 1.008 248 V HN 1.057 nan 8.190 nan 0.000 0.424 249 K N 2.400 122.872 120.400 0.121 0.000 2.532 249 K HA 0.903 5.226 4.320 0.005 0.000 0.265 249 K C -0.627 176.139 176.600 0.277 0.000 0.948 249 K CA -0.852 55.448 56.287 0.023 0.000 0.842 249 K CB 2.872 35.133 32.500 -0.398 0.000 1.392 249 K HN 0.870 nan 8.250 nan 0.000 0.436 250 G N 0.131 109.133 108.800 0.337 0.000 2.682 250 G HA2 0.729 4.692 3.960 0.005 0.000 0.300 250 G HA3 0.729 4.692 3.960 0.005 0.000 0.300 250 G C -1.077 174.079 174.900 0.426 0.000 1.391 250 G CA -0.585 44.785 45.100 0.450 0.000 0.990 250 G HN 0.811 nan 8.290 nan 0.000 0.501 251 G N -0.826 108.152 108.800 0.295 0.000 2.870 251 G HA2 0.731 4.694 3.960 0.005 0.000 0.299 251 G HA3 0.731 4.694 3.960 0.005 0.000 0.299 251 G C -0.259 174.662 174.900 0.034 0.000 1.324 251 G CA 0.111 45.274 45.100 0.106 0.000 0.808 251 G HN 1.517 nan 8.290 nan 0.000 0.535 252 A N 0.261 123.070 122.820 -0.019 0.000 2.526 252 A HA 0.430 4.753 4.320 0.005 0.000 0.287 252 A C 0.728 178.308 177.584 -0.005 0.000 1.232 252 A CA 1.280 53.310 52.037 -0.013 0.000 0.900 252 A CB -0.851 18.133 19.000 -0.027 0.000 1.077 252 A HN 1.488 nan 8.150 nan 0.000 0.535 253 D N 0.327 120.748 120.400 0.034 0.000 2.689 253 D HA -0.186 4.457 4.640 0.005 0.000 0.237 253 D C -0.021 176.342 176.300 0.105 0.000 1.148 253 D CA 2.087 56.127 54.000 0.067 0.000 0.656 253 D CB -1.129 39.693 40.800 0.036 0.000 1.050 253 D HN 1.050 nan 8.370 nan 0.000 0.426 254 K N -0.202 120.300 120.400 0.170 0.000 2.589 254 K HA 0.556 4.879 4.320 0.005 0.000 0.265 254 K C -1.120 175.740 176.600 0.434 0.000 0.935 254 K CA -0.996 55.413 56.287 0.203 0.000 0.850 254 K CB 1.335 33.789 32.500 -0.076 0.000 1.372 254 K HN 0.155 nan 8.250 nan 0.000 0.420 255 W N 0.347 121.779 121.300 0.219 0.000 2.923 255 W HA 0.804 5.468 4.660 0.006 0.000 0.373 255 W C -2.054 174.675 176.519 0.351 0.000 1.205 255 W CA -0.718 56.821 57.345 0.322 0.000 1.180 255 W CB 0.810 30.396 29.460 0.210 0.000 1.477 255 W HN 0.984 nan 8.180 nan 0.000 0.581 256 A N 0.828 123.828 122.820 0.299 0.000 2.608 256 A HA 0.766 5.089 4.320 0.005 0.000 0.292 256 A C -2.142 175.533 177.584 0.152 0.000 1.066 256 A CA -0.913 51.138 52.037 0.024 0.000 0.676 256 A CB 1.407 20.403 19.000 -0.008 0.000 1.277 256 A HN 0.607 nan 8.150 nan 0.000 0.413 257 I N 1.143 121.767 120.570 0.090 0.000 2.418 257 I HA 0.501 4.675 4.170 0.005 0.000 0.287 257 I C -0.212 175.906 176.117 0.003 0.000 1.008 257 I CA -0.381 61.019 61.300 0.168 0.000 1.104 257 I CB 1.925 40.107 38.000 0.304 0.000 1.264 257 I HN 0.647 nan 8.210 nan 0.000 0.438 258 R N 4.104 124.576 120.500 -0.046 0.000 2.575 258 R HA 0.725 5.068 4.340 0.005 0.000 0.293 258 R C -0.419 175.764 176.300 -0.195 0.000 0.983 258 R CA -0.749 55.208 56.100 -0.239 0.000 0.887 258 R CB 2.558 32.776 30.300 -0.137 0.000 1.184 258 R HN 0.775 nan 8.270 nan 0.000 0.445 259 G N 0.580 109.121 108.800 -0.432 0.000 2.533 259 G HA2 0.832 4.795 3.960 0.005 0.000 0.304 259 G HA3 0.832 4.795 3.960 0.005 0.000 0.304 259 G C -1.520 173.396 174.900 0.025 0.000 1.263 259 G CA -0.569 44.504 45.100 -0.045 0.000 0.964 259 G HN 0.676 nan 8.290 nan 0.000 0.479 260 A N 0.549 123.464 122.820 0.158 0.000 2.599 260 A HA 0.601 4.924 4.320 0.005 0.000 0.294 260 A C -0.964 176.723 177.584 0.172 0.000 1.055 260 A CA -0.814 51.311 52.037 0.146 0.000 0.683 260 A CB 1.470 20.489 19.000 0.031 0.000 1.278 260 A HN 0.804 nan 8.150 nan 0.000 0.412 261 N N 1.484 120.190 118.700 0.010 0.000 2.406 261 N HA 0.274 5.017 4.740 0.005 0.000 0.269 261 N C 1.234 176.709 175.510 -0.059 0.000 1.210 261 N CA 0.490 53.423 53.050 -0.194 0.000 0.966 261 N CB 1.014 38.981 38.487 -0.867 0.000 1.293 261 N HN 0.877 nan 8.380 nan 0.000 0.491 262 A N 3.798 126.648 122.820 0.049 0.000 2.093 262 A HA -0.167 4.157 4.320 0.005 0.000 0.222 262 A C 2.035 179.621 177.584 0.004 0.000 1.162 262 A CA 1.891 53.945 52.037 0.027 0.000 0.655 262 A CB -0.553 18.463 19.000 0.027 0.000 0.805 262 A HN 0.738 nan 8.150 nan 0.000 0.461 263 A N -1.841 120.989 122.820 0.017 0.000 2.016 263 A HA 0.372 4.695 4.320 0.005 0.000 0.217 263 A C 1.101 178.658 177.584 -0.045 0.000 1.162 263 A CA 1.393 53.430 52.037 -0.001 0.000 0.662 263 A CB -0.214 18.828 19.000 0.071 0.000 0.812 263 A HN 1.183 nan 8.150 nan 0.000 0.450 264 S N -3.242 112.410 115.700 -0.080 0.000 2.608 264 S HA 0.522 4.995 4.470 0.005 0.000 0.285 264 S C -0.366 174.173 174.600 -0.102 0.000 1.108 264 S CA 0.579 58.729 58.200 -0.084 0.000 0.858 264 S CB 0.415 63.569 63.200 -0.077 0.000 1.077 264 S HN 2.280 nan 8.310 nan 0.000 0.450 265 G N 2.180 110.935 108.800 -0.074 0.000 2.631 265 G HA2 0.221 4.184 3.960 0.005 0.000 0.504 265 G HA3 0.221 4.184 3.960 0.005 0.000 0.504 265 G C -0.254 174.613 174.900 -0.055 0.000 1.306 265 G CA 0.016 45.077 45.100 -0.064 0.000 0.897 265 G HN 2.127 nan 8.290 nan 0.000 0.520 266 S N -1.061 114.614 115.700 -0.042 0.000 2.690 266 S HA 0.804 5.278 4.470 0.005 0.000 0.291 266 S C 0.343 174.920 174.600 -0.039 0.000 1.138 266 S CA -0.828 57.346 58.200 -0.044 0.000 1.013 266 S CB 1.687 64.863 63.200 -0.039 0.000 1.053 266 S HN 0.959 nan 8.310 nan 0.000 0.539 267 L N 1.968 123.156 121.223 -0.059 0.000 2.397 267 L HA 0.382 4.726 4.340 0.005 0.000 0.271 267 L C 0.251 177.059 176.870 -0.103 0.000 1.148 267 L CA -0.197 54.595 54.840 -0.079 0.000 0.825 267 L CB 1.194 43.197 42.059 -0.093 0.000 1.117 267 L HN 0.710 nan 8.230 nan 0.000 0.456 268 S N 0.513 116.107 115.700 -0.177 0.000 2.578 268 S HA 0.443 4.916 4.470 0.005 0.000 0.301 268 S C -0.311 174.038 174.600 -0.418 0.000 1.091 268 S CA -0.647 57.435 58.200 -0.197 0.000 1.032 268 S CB 1.926 65.095 63.200 -0.051 0.000 1.064 268 S HN 0.526 nan 8.310 nan 0.000 0.508 269 T N 2.930 117.336 114.554 -0.247 0.000 2.753 269 T HA 0.276 4.630 4.350 0.005 0.000 0.297 269 T C -0.088 174.565 174.700 -0.079 0.000 0.981 269 T CA -0.209 61.753 62.100 -0.231 0.000 0.956 269 T CB 0.084 68.870 68.868 -0.136 0.000 0.936 269 T HN 0.506 nan 8.240 nan 0.000 0.463 270 Y N 1.834 122.146 120.300 0.020 0.000 2.448 270 Y HA 0.308 4.860 4.550 0.003 0.000 0.289 270 Y C 0.339 176.261 175.900 0.037 0.000 1.114 270 Y CA -0.611 57.511 58.100 0.037 0.000 1.235 270 Y CB 0.053 38.562 38.460 0.082 0.000 1.045 270 Y HN 0.648 nan 8.280 nan 0.000 0.554 271 Y N -0.934 119.338 120.300 -0.047 0.000 2.552 271 Y HA 0.565 5.118 4.550 0.005 0.000 0.337 271 Y C -1.127 174.578 175.900 -0.326 0.000 1.094 271 Y CA -1.561 56.390 58.100 -0.248 0.000 1.028 271 Y CB 2.020 40.199 38.460 -0.469 0.000 1.321 271 Y HN -0.302 nan 8.280 nan 0.000 0.456 272 S N 3.423 118.243 115.700 -1.466 0.000 2.599 272 S HA 0.761 5.234 4.470 0.005 0.000 0.269 272 S C -0.793 173.144 174.600 -1.105 0.000 1.135 272 S CA 0.361 58.002 58.200 -0.932 0.000 1.027 272 S CB 0.370 63.304 63.200 -0.444 0.000 1.129 272 S HN 1.719 nan 8.310 nan 0.000 0.458 273 G N 2.322 110.643 108.800 -0.799 0.000 2.345 273 G HA2 0.577 4.541 3.960 0.005 0.000 0.285 273 G HA3 0.577 4.541 3.960 0.005 0.000 0.285 273 G C -0.445 174.473 174.900 0.031 0.000 1.297 273 G CA -0.064 44.816 45.100 -0.367 0.000 0.875 273 G HN 1.355 nan 8.290 nan 0.000 0.506 274 A N 0.052 122.953 122.820 0.135 0.000 2.425 274 A HA 0.616 4.939 4.320 0.005 0.000 0.242 274 A C 1.009 178.840 177.584 0.412 0.000 1.077 274 A CA -0.036 52.133 52.037 0.219 0.000 0.781 274 A CB 0.096 19.163 19.000 0.113 0.000 1.020 274 A HN 0.685 nan 8.150 nan 0.000 0.494 275 R N 0.613 121.303 120.500 0.315 0.000 2.758 275 R HA 0.068 4.411 4.340 0.005 0.000 0.263 275 R C -2.483 173.831 176.300 0.023 0.000 1.010 275 R CA -1.095 55.089 56.100 0.141 0.000 1.114 275 R CB -0.898 29.416 30.300 0.022 0.000 0.985 275 R HN 0.436 nan 8.270 nan 0.000 0.439 276 P HA -0.051 nan 4.420 nan 0.000 0.264 276 P C -0.354 176.914 177.300 -0.054 0.000 1.193 276 P CA 0.142 63.073 63.100 -0.282 0.000 0.763 276 P CB 0.331 31.411 31.700 -1.033 0.000 0.810 277 D N 3.338 123.644 120.400 -0.156 0.000 2.545 277 D HA 0.094 4.738 4.640 0.005 0.000 0.227 277 D C -1.109 174.926 176.300 -0.441 0.000 1.150 277 D CA 0.377 54.242 54.000 -0.224 0.000 1.046 277 D CB -0.959 39.703 40.800 -0.229 0.000 1.098 277 D HN 0.216 nan 8.370 nan 0.000 0.502 278 Y N -0.118 120.272 120.300 0.151 0.000 2.544 278 Y HA 0.303 4.856 4.550 0.005 0.000 0.342 278 Y C 0.594 176.650 175.900 0.261 0.000 1.062 278 Y CA -1.267 56.976 58.100 0.239 0.000 1.023 278 Y CB 1.335 40.013 38.460 0.363 0.000 1.308 278 Y HN -0.147 nan 8.280 nan 0.000 0.457 279 S N 1.059 116.938 115.700 0.297 0.000 2.558 279 S HA 0.300 4.773 4.470 0.005 0.000 0.291 279 S C 1.127 175.716 174.600 -0.018 0.000 1.306 279 S CA 1.179 59.454 58.200 0.124 0.000 1.056 279 S CB 0.112 63.359 63.200 0.078 0.000 0.836 279 S HN 1.305 nan 8.310 nan 0.000 0.504 280 G N 1.400 110.144 108.800 -0.092 0.000 2.179 280 G HA2 -0.293 3.670 3.960 0.005 0.000 0.260 280 G HA3 -0.293 3.670 3.960 0.005 0.000 0.260 280 G C 0.296 174.965 174.900 -0.385 0.000 0.977 280 G CA 0.419 45.363 45.100 -0.259 0.000 0.641 280 G HN 0.733 nan 8.290 nan 0.000 0.533 281 Y N 0.057 120.368 120.300 0.019 0.000 2.444 281 Y HA 0.450 5.003 4.550 0.006 0.000 0.249 281 Y C 1.145 177.008 175.900 -0.061 0.000 1.134 281 Y CA 0.156 58.234 58.100 -0.035 0.000 1.261 281 Y CB 0.799 39.234 38.460 -0.042 0.000 1.143 281 Y HN 0.312 nan 8.280 nan 0.000 0.523 282 N N 0.948 119.691 118.700 0.072 0.000 2.578 282 N HA 0.235 4.978 4.740 0.005 0.000 0.282 282 N C -3.000 172.516 175.510 0.009 0.000 1.119 282 N CA -1.364 51.707 53.050 0.034 0.000 0.948 282 N CB 1.430 39.945 38.487 0.046 0.000 1.546 282 N HN -0.202 nan 8.380 nan 0.000 0.525 283 P HA 0.286 nan 4.420 nan 0.000 0.274 283 P C -0.274 177.001 177.300 -0.042 0.000 1.246 283 P CA -0.443 62.646 63.100 -0.019 0.000 0.795 283 P CB 0.680 32.366 31.700 -0.025 0.000 1.006 284 M N 0.283 119.854 119.600 -0.047 0.000 2.114 284 M HA 0.125 4.609 4.480 0.005 0.000 0.293 284 M C 0.621 176.831 176.300 -0.150 0.000 1.201 284 M CA 0.279 55.527 55.300 -0.086 0.000 1.107 284 M CB 0.056 32.621 32.600 -0.059 0.000 1.405 284 M HN 0.344 nan 8.290 nan 0.000 0.486 285 S N -0.369 115.177 115.700 -0.257 0.000 2.941 285 S HA 0.206 4.679 4.470 0.005 0.000 0.248 285 S C -0.481 173.872 174.600 -0.413 0.000 0.962 285 S CA -0.652 57.309 58.200 -0.397 0.000 1.092 285 S CB 0.155 62.931 63.200 -0.708 0.000 1.113 285 S HN 0.486 nan 8.310 nan 0.000 0.512 286 K N 1.663 121.934 120.400 -0.214 0.000 2.527 286 K HA 0.024 4.347 4.320 0.005 0.000 0.278 286 K C 0.624 177.165 176.600 -0.098 0.000 0.981 286 K CA 0.418 56.627 56.287 -0.131 0.000 1.009 286 K CB 0.599 33.053 32.500 -0.077 0.000 0.895 286 K HN 0.350 nan 8.250 nan 0.000 0.493 287 E N 0.885 121.057 120.200 -0.047 0.000 2.452 287 E HA 0.035 4.388 4.350 0.005 0.000 0.197 287 E C 0.885 177.471 176.600 -0.022 0.000 1.022 287 E CA 0.299 56.690 56.400 -0.014 0.000 0.890 287 E CB 0.416 30.139 29.700 0.038 0.000 0.918 287 E HN 0.956 nan 8.360 nan 0.000 0.496 288 G N 1.256 110.036 108.800 -0.034 0.000 2.157 288 G HA2 -0.297 3.666 3.960 0.005 0.000 0.248 288 G HA3 -0.297 3.666 3.960 0.005 0.000 0.248 288 G C 0.327 175.203 174.900 -0.039 0.000 0.979 288 G CA 0.120 45.199 45.100 -0.037 0.000 0.650 288 G HN 0.448 nan 8.290 nan 0.000 0.529 289 A N -0.462 122.332 122.820 -0.042 0.000 2.271 289 A HA 0.839 5.163 4.320 0.005 0.000 0.288 289 A C 0.264 177.801 177.584 -0.078 0.000 1.094 289 A CA -0.276 51.733 52.037 -0.046 0.000 0.828 289 A CB 0.631 19.607 19.000 -0.039 0.000 1.091 289 A HN 0.786 nan 8.150 nan 0.000 0.493 290 I N 1.195 121.716 120.570 -0.082 0.000 2.433 290 I HA 0.446 4.619 4.170 0.005 0.000 0.292 290 I C -0.379 175.651 176.117 -0.146 0.000 1.001 290 I CA -0.318 60.898 61.300 -0.141 0.000 1.119 290 I CB 1.408 39.341 38.000 -0.111 0.000 1.289 290 I HN 0.658 nan 8.210 nan 0.000 0.438 291 I N 4.033 124.484 120.570 -0.198 0.000 2.892 291 I HA 0.801 4.974 4.170 0.005 0.000 0.306 291 I C -1.600 174.391 176.117 -0.209 0.000 1.078 291 I CA -1.159 60.040 61.300 -0.168 0.000 1.032 291 I CB 2.557 40.472 38.000 -0.142 0.000 1.229 291 I HN 0.442 nan 8.210 nan 0.000 0.435 292 L N 3.557 124.661 121.223 -0.198 0.000 2.543 292 L HA 0.726 5.069 4.340 0.005 0.000 0.265 292 L C 0.342 177.009 176.870 -0.339 0.000 0.945 292 L CA 0.885 55.547 54.840 -0.298 0.000 0.869 292 L CB 1.806 43.662 42.059 -0.339 0.000 1.294 292 L HN 1.065 nan 8.230 nan 0.000 0.405 293 G N 3.829 112.213 108.800 -0.692 0.000 2.189 293 G HA2 -0.255 3.708 3.960 0.005 0.000 0.267 293 G HA3 -0.255 3.708 3.960 0.005 0.000 0.267 293 G C 0.101 174.868 174.900 -0.221 0.000 0.975 293 G CA 1.018 45.759 45.100 -0.597 0.000 0.644 293 G HN 1.301 nan 8.290 nan 0.000 0.537 294 I N -3.706 116.736 120.570 -0.214 0.000 3.467 294 I HA 0.919 5.093 4.170 0.005 0.000 0.314 294 I C 0.525 176.596 176.117 -0.078 0.000 1.177 294 I CA -1.088 60.156 61.300 -0.093 0.000 0.943 294 I CB 1.320 39.275 38.000 -0.075 0.000 1.338 294 I HN 0.255 nan 8.210 nan 0.000 0.482 295 G N -0.342 108.437 108.800 -0.035 0.000 2.461 295 G HA2 0.465 4.428 3.960 0.005 0.000 0.329 295 G HA3 0.465 4.428 3.960 0.005 0.000 0.329 295 G C 0.687 175.566 174.900 -0.035 0.000 1.170 295 G CA -0.392 44.688 45.100 -0.034 0.000 0.935 295 G HN 1.045 nan 8.290 nan 0.000 0.492 296 G N -0.184 108.587 108.800 -0.049 0.000 2.479 296 G HA2 -0.140 3.823 3.960 0.005 0.000 0.220 296 G HA3 -0.140 3.823 3.960 0.005 0.000 0.220 296 G C 0.871 175.758 174.900 -0.023 0.000 1.115 296 G CA 1.411 46.484 45.100 -0.045 0.000 0.757 296 G HN 0.687 nan 8.290 nan 0.000 0.560 297 D N -1.211 119.200 120.400 0.018 0.000 2.559 297 D HA 0.092 4.736 4.640 0.005 0.000 0.234 297 D C 0.665 177.049 176.300 0.140 0.000 1.226 297 D CA -0.956 53.072 54.000 0.045 0.000 0.830 297 D CB -0.830 40.002 40.800 0.054 0.000 1.028 297 D HN 0.097 nan 8.370 nan 0.000 0.492 298 N N -0.319 118.433 118.700 0.087 0.000 2.741 298 N HA -0.199 4.544 4.740 0.005 0.000 0.250 298 N C -1.119 174.472 175.510 0.134 0.000 1.115 298 N CA 0.696 53.797 53.050 0.085 0.000 0.724 298 N CB -1.662 36.858 38.487 0.056 0.000 1.090 298 N HN 0.146 nan 8.380 nan 0.000 0.558 299 S N 0.952 116.717 115.700 0.109 0.000 2.525 299 S HA 0.106 4.579 4.470 0.005 0.000 0.285 299 S C 0.788 175.349 174.600 -0.064 0.000 1.283 299 S CA -0.045 58.093 58.200 -0.103 0.000 1.072 299 S CB 0.191 63.313 63.200 -0.129 0.000 0.867 299 S HN 0.463 nan 8.310 nan 0.000 0.492 300 N N 2.223 120.871 118.700 -0.087 0.000 2.553 300 N HA 0.138 4.882 4.740 0.005 0.000 0.298 300 N C 0.558 176.054 175.510 -0.023 0.000 1.596 300 N CA -0.426 52.604 53.050 -0.033 0.000 0.910 300 N CB 0.640 39.119 38.487 -0.013 0.000 1.336 300 N HN 0.603 nan 8.380 nan 0.000 0.497 301 G N -0.732 108.051 108.800 -0.029 0.000 2.986 301 G HA2 0.385 4.348 3.960 0.005 0.000 0.213 301 G HA3 0.385 4.348 3.960 0.005 0.000 0.213 301 G C 0.524 175.436 174.900 0.020 0.000 1.156 301 G CA 0.213 45.308 45.100 -0.008 0.000 0.763 301 G HN 0.552 nan 8.290 nan 0.000 0.547 302 A N 0.076 122.925 122.820 0.048 0.000 2.257 302 A HA 0.734 5.057 4.320 0.005 0.000 0.289 302 A C -0.006 177.564 177.584 -0.024 0.000 1.095 302 A CA -0.454 51.619 52.037 0.061 0.000 0.836 302 A CB 0.535 19.642 19.000 0.179 0.000 1.111 302 A HN 0.451 nan 8.150 nan 0.000 0.497 303 Q N -0.540 119.141 119.800 -0.200 0.000 2.421 303 Q HA 0.747 5.091 4.340 0.005 0.000 0.280 303 Q C -0.372 174.917 176.000 -1.184 0.000 1.085 303 Q CA -0.627 54.853 55.803 -0.538 0.000 0.807 303 Q CB 2.128 30.551 28.738 -0.525 0.000 1.405 303 Q HN 1.392 nan 8.270 nan 0.000 0.419 304 G N 0.213 108.028 108.800 -1.641 0.000 2.428 304 G HA2 0.560 4.524 3.960 0.005 0.000 0.304 304 G HA3 0.560 4.524 3.960 0.005 0.000 0.304 304 G C -1.557 172.698 174.900 -1.075 0.000 1.303 304 G CA -0.594 43.323 45.100 -1.972 0.000 0.825 304 G HN 0.516 nan 8.290 nan 0.000 0.484 305 T N 0.582 114.769 114.554 -0.612 0.000 2.949 305 T HA 0.487 4.840 4.350 0.005 0.000 0.300 305 T C -1.680 172.909 174.700 -0.184 0.000 0.988 305 T CA -0.198 61.718 62.100 -0.307 0.000 0.993 305 T CB 1.288 69.990 68.868 -0.276 0.000 0.984 305 T HN 0.537 nan 8.240 nan 0.000 0.442 306 F N 3.467 123.257 119.950 -0.267 0.000 2.404 306 F HA 0.512 5.044 4.527 0.007 0.000 0.354 306 F C -0.305 175.292 175.800 -0.339 0.000 1.122 306 F CA -0.925 56.947 58.000 -0.214 0.000 1.080 306 F CB 0.671 39.583 39.000 -0.147 0.000 1.131 306 F HN 0.616 nan 8.300 nan 0.000 0.471 307 Y N 2.629 122.595 120.300 -0.557 0.000 2.464 307 Y HA 0.215 4.771 4.550 0.009 0.000 0.288 307 Y C 0.083 175.638 175.900 -0.575 0.000 1.133 307 Y CA 0.470 58.337 58.100 -0.388 0.000 1.223 307 Y CB 0.182 38.484 38.460 -0.262 0.000 1.187 307 Y HN 0.564 nan 8.280 nan 0.000 0.539 308 E N -1.285 118.437 120.200 -0.797 0.000 2.401 308 E HA 0.575 4.928 4.350 0.005 0.000 0.283 308 E C -0.874 175.283 176.600 -0.740 0.000 1.053 308 E CA -0.833 55.196 56.400 -0.619 0.000 0.842 308 E CB 1.626 31.287 29.700 -0.064 0.000 1.222 308 E HN 0.106 nan 8.360 nan 0.000 0.429 309 G N 0.098 108.608 108.800 -0.482 0.000 2.547 309 G HA2 0.591 4.554 3.960 0.005 0.000 0.291 309 G HA3 0.591 4.554 3.960 0.005 0.000 0.291 309 G C -1.049 173.730 174.900 -0.201 0.000 1.471 309 G CA -0.140 44.620 45.100 -0.566 0.000 0.798 309 G HN 1.262 nan 8.290 nan 0.000 0.504 310 V N -2.530 117.261 119.914 -0.205 0.000 3.232 310 V HA 0.920 5.044 4.120 0.005 0.000 0.303 310 V C -0.633 175.520 176.094 0.098 0.000 1.311 310 V CA -1.259 61.078 62.300 0.062 0.000 1.061 310 V CB 1.867 33.678 31.823 -0.020 0.000 1.085 310 V HN 0.946 nan 8.190 nan 0.000 0.447 311 M N 2.020 121.626 119.600 0.010 0.000 2.591 311 M HA 0.808 5.291 4.480 0.005 0.000 0.306 311 M C -0.406 175.811 176.300 -0.138 0.000 1.190 311 M CA -0.289 54.967 55.300 -0.073 0.000 0.889 311 M CB 2.704 35.255 32.600 -0.081 0.000 1.728 311 M HN 1.150 nan 8.290 nan 0.000 0.458 312 T N -2.163 112.290 114.554 -0.169 0.000 2.838 312 T HA 0.591 4.944 4.350 0.005 0.000 0.292 312 T C -0.942 173.705 174.700 -0.089 0.000 1.113 312 T CA -0.848 61.143 62.100 -0.183 0.000 1.008 312 T CB 1.883 70.532 68.868 -0.366 0.000 1.259 312 T HN 0.576 nan 8.240 nan 0.000 0.520 313 S N -0.099 115.570 115.700 -0.052 0.000 2.433 313 S HA 0.710 5.183 4.470 0.005 0.000 0.310 313 S C 0.274 174.884 174.600 0.016 0.000 1.097 313 S CA 0.657 58.852 58.200 -0.008 0.000 1.103 313 S CB -0.332 62.871 63.200 0.006 0.000 0.992 313 S HN 2.198 nan 8.310 nan 0.000 0.469 314 G N 3.293 112.120 108.800 0.045 0.000 2.650 314 G HA2 -0.140 3.824 3.960 0.005 0.000 0.686 314 G HA3 -0.140 3.824 3.960 0.005 0.000 0.686 314 G C -1.265 173.709 174.900 0.123 0.000 1.205 314 G CA -0.895 44.258 45.100 0.089 0.000 0.781 314 G HN 0.917 nan 8.290 nan 0.000 0.648 315 Y N 2.954 123.280 120.300 0.044 0.000 2.539 315 Y HA 0.494 5.047 4.550 0.006 0.000 0.352 315 Y C -1.539 174.406 175.900 0.074 0.000 1.004 315 Y CA -1.469 56.666 58.100 0.058 0.000 1.278 315 Y CB 0.795 39.287 38.460 0.053 0.000 1.136 315 Y HN 0.460 nan 8.280 nan 0.000 0.528 316 P HA 0.029 nan 4.420 nan 0.000 0.268 316 P C -0.828 176.467 177.300 -0.008 0.000 1.204 316 P CA 0.005 63.117 63.100 0.020 0.000 0.768 316 P CB 0.641 32.412 31.700 0.118 0.000 0.842 317 S N 1.204 116.941 115.700 0.062 0.000 2.576 317 S HA 0.097 4.570 4.470 0.005 0.000 0.276 317 S C 0.761 175.366 174.600 0.008 0.000 1.339 317 S CA -0.370 57.865 58.200 0.058 0.000 1.039 317 S CB 0.585 63.816 63.200 0.052 0.000 0.902 317 S HN 0.294 nan 8.310 nan 0.000 0.516 318 D N 1.346 121.750 120.400 0.007 0.000 2.190 318 D HA -0.110 4.533 4.640 0.005 0.000 0.200 318 D C 1.246 177.520 176.300 -0.043 0.000 0.992 318 D CA 1.473 55.459 54.000 -0.025 0.000 0.854 318 D CB -0.169 40.618 40.800 -0.021 0.000 0.936 318 D HN 0.619 nan 8.370 nan 0.000 0.462 319 D N -0.441 119.939 120.400 -0.034 0.000 2.078 319 D HA -0.102 4.541 4.640 0.005 0.000 0.193 319 D C 2.024 178.275 176.300 -0.082 0.000 0.990 319 D CA 1.280 55.250 54.000 -0.050 0.000 0.827 319 D CB -0.701 40.078 40.800 -0.034 0.000 0.975 319 D HN 0.130 nan 8.370 nan 0.000 0.451 320 T N 1.456 115.965 114.554 -0.076 0.000 2.680 320 T HA -0.207 4.146 4.350 0.005 0.000 0.268 320 T C 1.775 176.330 174.700 -0.243 0.000 1.033 320 T CA 1.543 63.560 62.100 -0.138 0.000 1.152 320 T CB -0.267 68.562 68.868 -0.065 0.000 0.859 320 T HN 0.314 nan 8.240 nan 0.000 0.452 321 E N 0.555 120.653 120.200 -0.169 0.000 2.150 321 E HA -0.076 4.277 4.350 0.005 0.000 0.193 321 E C 2.220 178.705 176.600 -0.192 0.000 0.985 321 E CA 0.679 56.966 56.400 -0.190 0.000 0.814 321 E CB -0.084 29.566 29.700 -0.084 0.000 0.752 321 E HN 0.399 nan 8.360 nan 0.000 0.466 322 N N 0.325 118.938 118.700 -0.145 0.000 2.309 322 N HA -0.072 4.671 4.740 0.005 0.000 0.182 322 N C 1.716 177.138 175.510 -0.147 0.000 1.018 322 N CA 0.781 53.756 53.050 -0.126 0.000 0.876 322 N CB -0.113 38.319 38.487 -0.092 0.000 0.972 322 N HN -0.023 nan 8.380 nan 0.000 0.434 323 S N 0.277 115.872 115.700 -0.174 0.000 2.357 323 S HA -0.014 4.459 4.470 0.005 0.000 0.221 323 S C 2.265 176.730 174.600 -0.224 0.000 1.031 323 S CA 0.566 58.660 58.200 -0.177 0.000 0.982 323 S CB -0.214 62.879 63.200 -0.178 0.000 0.853 323 S HN 0.061 nan 8.310 nan 0.000 0.458 324 V N 2.271 121.988 119.914 -0.329 0.000 2.287 324 V HA -0.236 3.887 4.120 0.005 0.000 0.248 324 V C 2.663 178.568 176.094 -0.315 0.000 1.053 324 V CA 2.160 64.216 62.300 -0.406 0.000 1.027 324 V CB -0.862 30.576 31.823 -0.642 0.000 0.646 324 V HN 0.399 nan 8.190 nan 0.000 0.447 325 Q N 0.761 120.401 119.800 -0.267 0.000 2.061 325 Q HA -0.268 4.075 4.340 0.005 0.000 0.204 325 Q C 2.176 178.097 176.000 -0.132 0.000 0.984 325 Q CA 2.506 58.200 55.803 -0.182 0.000 0.846 325 Q CB -0.531 28.125 28.738 -0.137 0.000 0.902 325 Q HN 0.730 nan 8.270 nan 0.000 0.421 326 E N -0.477 119.647 120.200 -0.127 0.000 2.077 326 E HA -0.233 4.120 4.350 0.005 0.000 0.193 326 E C 1.878 178.421 176.600 -0.094 0.000 0.989 326 E CA 1.164 57.505 56.400 -0.098 0.000 0.800 326 E CB -0.332 29.312 29.700 -0.092 0.000 0.746 326 E HN 0.531 nan 8.360 nan 0.000 0.452 327 N N 0.970 119.603 118.700 -0.113 0.000 2.120 327 N HA -0.178 4.566 4.740 0.005 0.000 0.188 327 N C 2.000 177.464 175.510 -0.076 0.000 1.024 327 N CA 1.247 54.239 53.050 -0.096 0.000 0.852 327 N CB -0.188 38.232 38.487 -0.112 0.000 1.003 327 N HN 0.273 nan 8.380 nan 0.000 0.424 328 I N 0.700 121.222 120.570 -0.080 0.000 2.142 328 I HA -0.250 3.924 4.170 0.005 0.000 0.240 328 I C 2.335 178.446 176.117 -0.011 0.000 1.078 328 I CA 0.836 62.126 61.300 -0.017 0.000 1.343 328 I CB -0.397 37.590 38.000 -0.022 0.000 1.046 328 I HN -0.056 nan 8.210 nan 0.000 0.405 329 V N 1.317 121.207 119.914 -0.041 0.000 2.380 329 V HA -0.359 3.764 4.120 0.005 0.000 0.251 329 V C 2.722 178.780 176.094 -0.060 0.000 1.063 329 V CA 2.104 64.377 62.300 -0.046 0.000 1.055 329 V CB -1.170 30.619 31.823 -0.056 0.000 0.657 329 V HN 0.535 nan 8.190 nan 0.000 0.455 330 A N 0.024 122.805 122.820 -0.066 0.000 1.902 330 A HA -0.084 4.239 4.320 0.005 0.000 0.217 330 A C 2.405 179.929 177.584 -0.100 0.000 1.181 330 A CA 1.836 53.828 52.037 -0.075 0.000 0.623 330 A CB -0.779 18.180 19.000 -0.068 0.000 0.818 330 A HN 0.628 nan 8.150 nan 0.000 0.443 331 A N -0.688 122.063 122.820 -0.114 0.000 2.131 331 A HA -0.034 4.289 4.320 0.005 0.000 0.220 331 A C 1.049 178.458 177.584 -0.291 0.000 1.158 331 A CA 1.297 53.212 52.037 -0.203 0.000 0.665 331 A CB -0.652 18.210 19.000 -0.229 0.000 0.795 331 A HN 0.557 nan 8.150 nan 0.000 0.460 332 K N -1.332 118.946 120.400 -0.204 0.000 4.007 332 K HA -0.209 4.115 4.320 0.005 0.000 0.279 332 K C -1.224 175.184 176.600 -0.321 0.000 0.919 332 K CA 0.453 56.618 56.287 -0.203 0.000 0.800 332 K CB -1.665 30.743 32.500 -0.154 0.000 1.572 332 K HN 0.598 nan 8.250 nan 0.000 0.443 333 Y N -0.073 119.954 120.300 -0.455 0.000 2.425 333 Y HA 0.262 4.813 4.550 0.002 0.000 0.331 333 Y C 0.989 176.437 175.900 -0.752 0.000 1.157 333 Y CA -0.136 57.476 58.100 -0.813 0.000 1.372 333 Y CB 1.069 38.633 38.460 -1.493 0.000 1.253 333 Y HN 0.079 nan 8.280 nan 0.000 0.536 334 V N 3.815 123.514 119.914 -0.359 0.000 2.817 334 V HA 0.147 4.270 4.120 0.005 0.000 0.303 334 V C -0.798 175.434 176.094 0.229 0.000 1.151 334 V CA -1.257 61.059 62.300 0.027 0.000 0.929 334 V CB 2.054 33.877 31.823 0.001 0.000 1.030 334 V HN 0.480 nan 8.190 nan 0.000 0.427 335 V N 3.896 124.080 119.914 0.450 0.000 2.814 335 V HA 0.302 4.425 4.120 0.005 0.000 0.307 335 V C 1.150 177.356 176.094 0.186 0.000 1.089 335 V CA 1.352 63.858 62.300 0.344 0.000 1.212 335 V CB 0.787 32.739 31.823 0.214 0.000 0.912 335 V HN 1.036 nan 8.190 nan 0.000 0.497 336 G N 2.696 111.594 108.800 0.164 0.000 2.509 336 G HA2 0.464 4.427 3.960 0.005 0.000 0.328 336 G HA3 0.464 4.427 3.960 0.005 0.000 0.328 336 G C -0.264 174.690 174.900 0.089 0.000 1.194 336 G CA -0.470 44.684 45.100 0.090 0.000 0.967 336 G HN 0.718 nan 8.290 nan 0.000 0.488 337 S N -0.936 114.804 115.700 0.067 0.000 2.533 337 S HA 0.125 4.598 4.470 0.005 0.000 0.282 337 S C 1.259 175.917 174.600 0.097 0.000 1.304 337 S CA -0.471 57.773 58.200 0.074 0.000 1.063 337 S CB 0.311 63.550 63.200 0.066 0.000 0.881 337 S HN 0.392 nan 8.310 nan 0.000 0.493 338 L N 4.936 126.217 121.223 0.096 0.000 2.513 338 L HA 0.271 4.615 4.340 0.005 0.000 0.222 338 L C -0.187 176.757 176.870 0.123 0.000 1.096 338 L CA 0.046 54.954 54.840 0.113 0.000 0.857 338 L CB 0.474 42.598 42.059 0.109 0.000 1.026 338 L HN 0.410 nan 8.230 nan 0.000 0.469 339 V N -0.547 119.435 119.914 0.114 0.000 2.612 339 V HA 0.578 4.701 4.120 0.005 0.000 0.301 339 V C 0.034 176.205 176.094 0.128 0.000 1.046 339 V CA -0.483 61.900 62.300 0.137 0.000 0.946 339 V CB 1.600 33.509 31.823 0.144 0.000 1.003 339 V HN 0.281 nan 8.190 nan 0.000 0.459 340 S N 1.881 117.662 115.700 0.135 0.000 2.607 340 S HA 0.937 5.410 4.470 0.005 0.000 0.273 340 S C -0.183 174.471 174.600 0.091 0.000 1.148 340 S CA 0.132 58.397 58.200 0.108 0.000 0.833 340 S CB 1.700 64.969 63.200 0.116 0.000 1.130 340 S HN 2.400 nan 8.310 nan 0.000 0.470 341 G N 2.009 110.844 108.800 0.059 0.000 2.681 341 G HA2 -0.082 3.881 3.960 0.005 0.000 0.220 341 G HA3 -0.082 3.881 3.960 0.005 0.000 0.220 341 G C -1.762 173.129 174.900 -0.015 0.000 1.353 341 G CA -0.073 45.042 45.100 0.026 0.000 0.872 341 G HN 0.821 nan 8.290 nan 0.000 0.557 342 P HA 0.036 nan 4.420 nan 0.000 0.209 342 P C 1.284 178.456 177.300 -0.214 0.000 1.167 342 P CA 2.586 65.592 63.100 -0.156 0.000 0.941 342 P CB -0.237 31.327 31.700 -0.227 0.000 0.787 343 S N -4.265 111.209 115.700 -0.376 0.000 3.860 343 S HA -0.109 4.365 4.470 0.005 0.000 0.712 343 S C -0.547 173.640 174.600 -0.689 0.000 1.287 343 S CA -0.296 57.701 58.200 -0.339 0.000 1.330 343 S CB -1.524 61.716 63.200 0.066 0.000 0.442 343 S HN 0.025 nan 8.310 nan 0.000 0.798 344 F N 0.383 120.138 119.950 -0.325 0.000 2.712 344 F HA 0.744 5.273 4.527 0.004 0.000 0.367 344 F C 0.775 176.354 175.800 -0.368 0.000 1.132 344 F CA -0.685 57.017 58.000 -0.497 0.000 1.066 344 F CB 1.679 40.166 39.000 -0.855 0.000 1.416 344 F HN 0.493 nan 8.300 nan 0.000 0.515 345 T N -0.152 114.381 114.554 -0.034 0.000 2.861 345 T HA 0.300 4.653 4.350 0.005 0.000 0.287 345 T C -0.542 174.177 174.700 0.031 0.000 1.003 345 T CA -0.709 61.425 62.100 0.056 0.000 0.977 345 T CB 1.663 70.563 68.868 0.054 0.000 0.996 345 T HN 0.634 nan 8.240 nan 0.000 0.448 346 S N 1.494 117.266 115.700 0.120 0.000 2.558 346 S HA 0.352 4.826 4.470 0.005 0.000 0.291 346 S C 1.656 176.278 174.600 0.038 0.000 1.306 346 S CA 1.441 59.694 58.200 0.088 0.000 1.056 346 S CB -0.340 62.925 63.200 0.109 0.000 0.836 346 S HN 1.398 nan 8.310 nan 0.000 0.504 347 G N 2.606 111.418 108.800 0.020 0.000 2.205 347 G HA2 -0.282 3.681 3.960 0.005 0.000 0.261 347 G HA3 -0.282 3.681 3.960 0.005 0.000 0.261 347 G C -0.005 174.901 174.900 0.010 0.000 0.980 347 G CA 0.532 45.642 45.100 0.017 0.000 0.632 347 G HN 0.941 nan 8.290 nan 0.000 0.533 348 E N 0.565 120.765 120.200 0.000 0.000 2.344 348 E HA 0.423 4.776 4.350 0.005 0.000 0.270 348 E C 0.009 176.621 176.600 0.020 0.000 1.021 348 E CA -0.432 55.978 56.400 0.016 0.000 0.887 348 E CB 0.808 30.529 29.700 0.034 0.000 0.997 348 E HN 0.237 nan 8.360 nan 0.000 0.429 349 V N 6.166 126.101 119.914 0.035 0.000 2.347 349 V HA 0.320 4.443 4.120 0.005 0.000 0.280 349 V C 0.330 176.469 176.094 0.075 0.000 1.021 349 V CA -0.560 61.768 62.300 0.047 0.000 0.847 349 V CB 0.590 32.424 31.823 0.018 0.000 0.990 349 V HN 0.592 nan 8.190 nan 0.000 0.444 350 V N 1.935 121.931 119.914 0.136 0.000 3.158 350 V HA 0.893 5.016 4.120 0.005 0.000 0.315 350 V C -0.233 175.990 176.094 0.214 0.000 1.148 350 V CA -0.586 61.819 62.300 0.175 0.000 1.042 350 V CB 2.357 34.347 31.823 0.279 0.000 1.101 350 V HN 0.651 nan 8.190 nan 0.000 0.448 351 S N 0.937 116.762 115.700 0.209 0.000 2.557 351 S HA 0.751 5.225 4.470 0.005 0.000 0.291 351 S C -0.885 173.933 174.600 0.364 0.000 1.116 351 S CA -0.548 57.822 58.200 0.284 0.000 0.992 351 S CB 1.220 64.454 63.200 0.056 0.000 1.028 351 S HN 0.708 nan 8.310 nan 0.000 0.484 352 L N 3.515 124.992 121.223 0.424 0.000 2.276 352 L HA 0.565 4.908 4.340 0.005 0.000 0.286 352 L C 0.311 177.344 176.870 0.271 0.000 1.024 352 L CA -0.511 54.501 54.840 0.288 0.000 0.826 352 L CB 0.953 43.049 42.059 0.061 0.000 1.211 352 L HN 0.416 nan 8.230 nan 0.000 0.422 353 R N 2.378 122.934 120.500 0.094 0.000 2.368 353 R HA 0.511 4.854 4.340 0.005 0.000 0.302 353 R C -0.708 175.541 176.300 -0.085 0.000 1.002 353 R CA -0.663 55.256 56.100 -0.301 0.000 0.929 353 R CB 1.582 31.564 30.300 -0.529 0.000 1.073 353 R HN 0.370 nan 8.270 nan 0.000 0.464 354 V N 3.769 123.582 119.914 -0.169 0.000 2.655 354 V HA -0.017 4.106 4.120 0.005 0.000 0.300 354 V C 1.391 177.370 176.094 -0.191 0.000 1.044 354 V CA 0.673 62.845 62.300 -0.212 0.000 1.095 354 V CB 1.339 32.996 31.823 -0.275 0.000 0.952 354 V HN 1.063 nan 8.190 nan 0.000 0.485 355 T N -0.465 113.964 114.554 -0.207 0.000 3.023 355 T HA 0.057 4.410 4.350 0.005 0.000 0.253 355 T C 0.720 175.388 174.700 -0.053 0.000 1.038 355 T CA -0.057 61.970 62.100 -0.122 0.000 0.962 355 T CB -0.104 68.684 68.868 -0.133 0.000 1.018 355 T HN 0.565 nan 8.240 nan 0.000 0.521 356 T N 5.089 119.641 114.554 -0.004 0.000 2.867 356 T HA 0.225 4.578 4.350 0.005 0.000 0.297 356 T C -2.578 172.214 174.700 0.154 0.000 0.989 356 T CA -0.567 61.598 62.100 0.109 0.000 1.159 356 T CB 0.502 69.522 68.868 0.253 0.000 0.928 356 T HN 0.172 nan 8.240 nan 0.000 0.538 357 P HA 0.190 nan 4.420 nan 0.000 0.260 357 P C 0.918 178.236 177.300 0.030 0.000 1.185 357 P CA 0.881 64.010 63.100 0.050 0.000 0.763 357 P CB 0.145 31.864 31.700 0.031 0.000 0.776 358 G N 2.243 110.989 108.800 -0.090 0.000 2.144 358 G HA2 -0.266 3.698 3.960 0.005 0.000 0.218 358 G HA3 -0.266 3.698 3.960 0.005 0.000 0.218 358 G C 0.117 174.606 174.900 -0.685 0.000 0.988 358 G CA -0.325 44.566 45.100 -0.349 0.000 0.659 358 G HN 0.511 nan 8.290 nan 0.000 0.522 359 Y N -0.562 119.714 120.300 -0.040 0.000 2.858 359 Y HA 0.181 4.734 4.550 0.006 0.000 0.270 359 Y C 2.115 177.952 175.900 -0.104 0.000 1.063 359 Y CA 0.419 58.475 58.100 -0.074 0.000 1.263 359 Y CB -0.052 38.341 38.460 -0.112 0.000 1.378 359 Y HN 0.335 nan 8.280 nan 0.000 0.578 360 T N -2.328 112.235 114.554 0.016 0.000 3.219 360 T HA -0.107 4.247 4.350 0.005 0.000 0.264 360 T C 1.197 175.874 174.700 -0.039 0.000 1.178 360 T CA 1.449 63.530 62.100 -0.032 0.000 1.057 360 T CB -0.633 68.219 68.868 -0.026 0.000 0.919 360 T HN 0.402 nan 8.240 nan 0.000 0.545 361 T N -1.671 112.883 114.554 -0.000 0.000 3.339 361 T HA 0.415 4.768 4.350 0.005 0.000 0.292 361 T C 0.127 174.912 174.700 0.141 0.000 1.012 361 T CA -0.953 61.193 62.100 0.076 0.000 0.937 361 T CB 0.242 69.161 68.868 0.085 0.000 1.164 361 T HN 0.317 nan 8.240 nan 0.000 0.509 362 R N 0.158 120.678 120.500 0.033 0.000 2.778 362 R HA 0.716 5.059 4.340 0.005 0.000 0.277 362 R C -1.530 174.779 176.300 0.014 0.000 0.977 362 R CA -0.819 55.353 56.100 0.120 0.000 0.950 362 R CB 1.697 32.038 30.300 0.069 0.000 1.165 362 R HN 0.300 nan 8.270 nan 0.000 0.474 363 Y N 0.395 120.773 120.300 0.131 0.000 2.512 363 Y HA 0.402 4.955 4.550 0.005 0.000 0.348 363 Y C 0.288 176.301 175.900 0.189 0.000 0.990 363 Y CA -1.089 57.131 58.100 0.199 0.000 1.033 363 Y CB 1.753 40.385 38.460 0.287 0.000 1.259 363 Y HN 0.295 nan 8.280 nan 0.000 0.461 364 I N 3.100 123.885 120.570 0.358 0.000 2.581 364 I HA 0.221 4.394 4.170 0.005 0.000 0.285 364 I C 0.350 176.756 176.117 0.481 0.000 1.129 364 I CA 0.681 62.150 61.300 0.281 0.000 1.397 364 I CB -0.128 37.918 38.000 0.078 0.000 1.399 364 I HN 0.750 nan 8.210 nan 0.000 0.537 365 A N 5.833 128.875 122.820 0.369 0.000 3.005 365 A HA 0.912 5.235 4.320 0.005 0.000 0.282 365 A C -1.085 176.710 177.584 0.353 0.000 1.218 365 A CA -0.310 51.934 52.037 0.345 0.000 0.703 365 A CB 1.521 20.575 19.000 0.091 0.000 1.387 365 A HN 0.837 nan 8.150 nan 0.000 0.592 366 H N -3.006 116.160 119.070 0.160 0.000 3.003 366 H HA 0.718 5.277 4.556 0.005 0.000 0.327 366 H C -1.490 173.864 175.328 0.043 0.000 1.353 366 H CA -0.111 56.005 56.048 0.114 0.000 1.142 366 H CB 1.136 31.012 29.762 0.190 0.000 1.864 366 H HN 0.379 nan 8.280 nan 0.000 0.529 367 T N 3.332 118.007 114.554 0.202 0.000 3.068 367 T HA 0.331 4.684 4.350 0.005 0.000 0.364 367 T C -0.788 174.024 174.700 0.185 0.000 1.161 367 T CA -0.179 61.992 62.100 0.120 0.000 1.155 367 T CB -0.076 68.821 68.868 0.048 0.000 1.060 367 T HN 0.756 nan 8.240 nan 0.000 0.513 368 D N 1.429 121.994 120.400 0.275 0.000 3.923 368 D HA -0.203 4.440 4.640 0.005 0.000 0.159 368 D C 1.587 177.936 176.300 0.082 0.000 1.003 368 D CA 1.947 56.035 54.000 0.146 0.000 1.071 368 D CB -1.164 39.677 40.800 0.069 0.000 0.567 368 D HN 0.597 nan 8.370 nan 0.000 0.615 369 T N -1.836 112.730 114.554 0.021 0.000 3.160 369 T HA 0.132 4.485 4.350 0.005 0.000 0.257 369 T C 0.781 175.478 174.700 -0.006 0.000 1.147 369 T CA 0.998 63.086 62.100 -0.019 0.000 1.064 369 T CB -0.347 68.504 68.868 -0.028 0.000 0.949 369 T HN 0.316 nan 8.240 nan 0.000 0.526 370 T N 2.850 117.425 114.554 0.035 0.000 2.749 370 T HA 0.499 4.852 4.350 0.005 0.000 0.295 370 T C -0.128 174.606 174.700 0.056 0.000 0.936 370 T CA -0.549 61.559 62.100 0.014 0.000 1.060 370 T CB 1.402 70.279 68.868 0.016 0.000 0.904 370 T HN 0.084 nan 8.240 nan 0.000 0.500 371 V N 5.549 125.448 119.914 -0.025 0.000 2.465 371 V HA 0.502 4.626 4.120 0.005 0.000 0.279 371 V C 0.107 176.161 176.094 -0.066 0.000 1.045 371 V CA -0.704 61.597 62.300 0.002 0.000 0.938 371 V CB 0.817 32.554 31.823 -0.144 0.000 0.986 371 V HN 1.067 nan 8.190 nan 0.000 0.467 372 N N 2.120 120.830 118.700 0.017 0.000 3.418 372 N HA 0.617 5.360 4.740 0.005 0.000 0.316 372 N C -0.802 174.738 175.510 0.050 0.000 1.601 372 N CA -0.621 52.426 53.050 -0.005 0.000 0.805 372 N CB 1.546 40.036 38.487 0.006 0.000 1.873 372 N HN 0.541 nan 8.380 nan 0.000 0.615 373 T N -2.864 111.717 114.554 0.044 0.000 2.792 373 T HA 0.656 5.010 4.350 0.005 0.000 0.280 373 T C -0.795 173.947 174.700 0.070 0.000 0.990 373 T CA -0.628 61.513 62.100 0.067 0.000 0.960 373 T CB 1.242 70.110 68.868 -0.000 0.000 0.939 373 T HN 0.521 nan 8.240 nan 0.000 0.439 374 Q N 1.321 121.180 119.800 0.099 0.000 2.528 374 Q HA 0.618 4.961 4.340 0.005 0.000 0.289 374 Q C -1.094 174.970 176.000 0.106 0.000 1.091 374 Q CA -1.302 54.543 55.803 0.071 0.000 0.797 374 Q CB 2.835 31.586 28.738 0.022 0.000 1.466 374 Q HN 0.566 nan 8.270 nan 0.000 0.436 375 V N 2.187 122.136 119.914 0.060 0.000 2.339 375 V HA 0.194 4.317 4.120 0.005 0.000 0.261 375 V C -0.521 175.558 176.094 -0.024 0.000 1.058 375 V CA -0.235 62.106 62.300 0.070 0.000 0.897 375 V CB 0.661 32.507 31.823 0.039 0.000 1.052 375 V HN 0.413 nan 8.190 nan 0.000 0.480 376 V N 5.606 125.488 119.914 -0.054 0.000 2.483 376 V HA 0.725 4.848 4.120 0.005 0.000 0.295 376 V C -0.308 175.461 176.094 -0.541 0.000 1.035 376 V CA -0.501 61.525 62.300 -0.456 0.000 0.896 376 V CB 1.898 33.223 31.823 -0.829 0.000 0.986 376 V HN 1.062 nan 8.190 nan 0.000 0.447 377 D N 0.870 120.942 120.400 -0.546 0.000 2.759 377 D HA 0.261 4.904 4.640 0.005 0.000 0.321 377 D C 0.138 176.295 176.300 -0.240 0.000 1.267 377 D CA -0.646 53.198 54.000 -0.261 0.000 0.933 377 D CB 0.700 41.465 40.800 -0.058 0.000 1.431 377 D HN 0.219 nan 8.370 nan 0.000 0.504 378 D N -0.600 119.779 120.400 -0.035 0.000 2.351 378 D HA -0.095 4.548 4.640 0.005 0.000 0.216 378 D C 0.333 176.599 176.300 -0.056 0.000 0.968 378 D CA 0.868 54.859 54.000 -0.015 0.000 0.899 378 D CB 0.054 40.876 40.800 0.036 0.000 0.907 378 D HN 0.372 nan 8.370 nan 0.000 0.514 379 D N 0.174 120.529 120.400 -0.076 0.000 2.354 379 D HA 0.017 4.661 4.640 0.005 0.000 0.209 379 D C 0.421 176.661 176.300 -0.100 0.000 1.015 379 D CA 0.170 54.128 54.000 -0.070 0.000 0.867 379 D CB 0.409 41.178 40.800 -0.053 0.000 0.933 379 D HN -0.039 nan 8.370 nan 0.000 0.520 380 S N 1.019 116.624 115.700 -0.158 0.000 2.568 380 S HA 0.103 4.576 4.470 0.005 0.000 0.282 380 S C 0.827 175.334 174.600 -0.156 0.000 1.338 380 S CA -0.478 57.608 58.200 -0.189 0.000 1.045 380 S CB 1.075 64.084 63.200 -0.318 0.000 0.873 380 S HN 0.266 nan 8.310 nan 0.000 0.516 381 S N 1.720 117.339 115.700 -0.135 0.000 2.587 381 S HA 0.048 4.521 4.470 0.005 0.000 0.260 381 S C 1.649 176.179 174.600 -0.117 0.000 1.353 381 S CA 0.031 58.167 58.200 -0.107 0.000 0.995 381 S CB 0.132 63.276 63.200 -0.094 0.000 0.912 381 S HN 0.812 nan 8.310 nan 0.000 0.568 382 T N -1.024 113.476 114.554 -0.089 0.000 2.746 382 T HA -0.131 4.223 4.350 0.005 0.000 0.267 382 T C 1.796 176.436 174.700 -0.101 0.000 1.039 382 T CA 1.777 63.828 62.100 -0.083 0.000 1.142 382 T CB -1.511 67.321 68.868 -0.060 0.000 0.866 382 T HN 0.673 nan 8.240 nan 0.000 0.444 383 T N 2.058 116.551 114.554 -0.101 0.000 2.720 383 T HA 0.009 4.363 4.350 0.005 0.000 0.268 383 T C 1.761 176.364 174.700 -0.161 0.000 1.037 383 T CA 1.254 63.285 62.100 -0.114 0.000 1.144 383 T CB -0.471 68.340 68.868 -0.095 0.000 0.864 383 T HN 0.217 nan 8.240 nan 0.000 0.444 384 L N 0.954 122.073 121.223 -0.174 0.000 2.131 384 L HA 0.136 4.479 4.340 0.005 0.000 0.206 384 L C 2.105 178.824 176.870 -0.251 0.000 1.087 384 L CA 1.673 56.381 54.840 -0.220 0.000 0.767 384 L CB -0.415 41.517 42.059 -0.212 0.000 0.917 384 L HN 0.046 nan 8.230 nan 0.000 0.441 385 K N -0.474 119.788 120.400 -0.230 0.000 2.209 385 K HA -0.173 4.150 4.320 0.005 0.000 0.204 385 K C 1.881 178.406 176.600 -0.126 0.000 1.048 385 K CA 1.547 57.723 56.287 -0.185 0.000 0.940 385 K CB -0.023 32.417 32.500 -0.100 0.000 0.729 385 K HN 0.488 nan 8.250 nan 0.000 0.451 386 E N 0.789 120.888 120.200 -0.169 0.000 2.122 386 E HA -0.104 4.250 4.350 0.005 0.000 0.190 386 E C 1.504 177.907 176.600 -0.329 0.000 0.977 386 E CA 0.605 56.885 56.400 -0.199 0.000 0.820 386 E CB 0.235 29.843 29.700 -0.152 0.000 0.770 386 E HN 0.298 nan 8.360 nan 0.000 0.462 387 E N 0.094 120.079 120.200 -0.359 0.000 2.409 387 E HA -0.083 4.270 4.350 0.005 0.000 0.198 387 E C 1.101 177.403 176.600 -0.497 0.000 1.024 387 E CA 0.596 56.657 56.400 -0.566 0.000 0.861 387 E CB 0.198 29.482 29.700 -0.693 0.000 0.788 387 E HN 0.116 nan 8.360 nan 0.000 0.521 388 A N 0.553 123.172 122.820 -0.335 0.000 2.503 388 A HA 0.236 4.559 4.320 0.005 0.000 0.263 388 A C 0.287 177.781 177.584 -0.150 0.000 1.258 388 A CA -0.267 51.698 52.037 -0.119 0.000 0.936 388 A CB 0.687 19.682 19.000 -0.008 0.000 1.070 388 A HN -0.038 nan 8.150 nan 0.000 0.522 389 S N -0.484 114.930 115.700 -0.477 0.000 2.500 389 S HA 0.608 5.081 4.470 0.005 0.000 0.301 389 S C -1.423 172.779 174.600 -0.663 0.000 1.092 389 S CA -0.370 57.621 58.200 -0.348 0.000 1.030 389 S CB 0.673 63.774 63.200 -0.165 0.000 1.031 389 S HN 0.448 nan 8.310 nan 0.000 0.483 390 W N 1.035 122.386 121.300 0.085 0.000 2.785 390 W HA 0.433 5.096 4.660 0.005 0.000 0.333 390 W C -0.317 176.225 176.519 0.039 0.000 1.062 390 W CA -0.719 56.681 57.345 0.092 0.000 1.233 390 W CB 1.184 30.754 29.460 0.183 0.000 1.413 390 W HN 0.341 nan 8.180 nan 0.000 0.489 391 T N 2.479 117.161 114.554 0.214 0.000 2.771 391 T HA 0.361 4.715 4.350 0.005 0.000 0.291 391 T C -0.274 174.442 174.700 0.027 0.000 0.954 391 T CA -0.536 61.613 62.100 0.082 0.000 1.045 391 T CB 0.724 69.615 68.868 0.038 0.000 0.917 391 T HN 0.148 nan 8.240 nan 0.000 0.484 392 V N 5.218 125.066 119.914 -0.110 0.000 2.385 392 V HA 0.445 4.569 4.120 0.005 0.000 0.269 392 V C 0.420 176.423 176.094 -0.153 0.000 1.043 392 V CA -0.633 61.454 62.300 -0.355 0.000 0.906 392 V CB 0.607 32.049 31.823 -0.635 0.000 0.995 392 V HN 0.790 nan 8.190 nan 0.000 0.467 393 V N 1.797 121.672 119.914 -0.065 0.000 2.815 393 V HA 0.634 4.757 4.120 0.005 0.000 0.314 393 V C 0.247 176.403 176.094 0.104 0.000 1.064 393 V CA -0.654 61.683 62.300 0.061 0.000 0.952 393 V CB 1.701 33.598 31.823 0.123 0.000 1.020 393 V HN 0.717 nan 8.190 nan 0.000 0.439 394 T N 3.149 117.758 114.554 0.091 0.000 2.819 394 T HA 0.208 4.561 4.350 0.005 0.000 0.282 394 T C 0.942 175.557 174.700 -0.142 0.000 1.013 394 T CA 0.957 63.049 62.100 -0.014 0.000 1.159 394 T CB -0.054 68.776 68.868 -0.063 0.000 1.007 394 T HN 1.554 nan 8.240 nan 0.000 0.514 395 G N 3.448 112.093 108.800 -0.259 0.000 2.097 395 G HA2 0.004 3.967 3.960 0.005 0.000 0.256 395 G HA3 0.004 3.967 3.960 0.005 0.000 0.256 395 G C 1.191 175.886 174.900 -0.342 0.000 1.082 395 G CA -0.442 44.482 45.100 -0.294 0.000 0.956 395 G HN 0.878 nan 8.290 nan 0.000 0.420 396 L N 2.198 123.208 121.223 -0.354 0.000 2.137 396 L HA -0.232 4.111 4.340 0.005 0.000 0.213 396 L C 2.844 179.409 176.870 -0.508 0.000 1.085 396 L CA 1.883 56.428 54.840 -0.491 0.000 0.760 396 L CB -0.121 41.645 42.059 -0.488 0.000 0.893 396 L HN 0.667 nan 8.230 nan 0.000 0.434 397 A N -2.244 120.286 122.820 -0.484 0.000 2.343 397 A HA 0.124 4.447 4.320 0.005 0.000 0.223 397 A C 0.568 177.682 177.584 -0.782 0.000 1.214 397 A CA -0.100 51.585 52.037 -0.587 0.000 0.900 397 A CB 0.198 18.787 19.000 -0.686 0.000 0.942 397 A HN 0.376 nan 8.150 nan 0.000 0.507 398 N N -0.249 118.041 118.700 -0.684 0.000 2.578 398 N HA 0.032 4.775 4.740 0.005 0.000 0.282 398 N C 0.599 175.864 175.510 -0.407 0.000 1.119 398 N CA 0.725 53.427 53.050 -0.580 0.000 0.948 398 N CB 1.642 39.645 38.487 -0.808 0.000 1.546 398 N HN 0.056 nan 8.380 nan 0.000 0.525 399 S N 2.639 118.162 115.700 -0.296 0.000 2.440 399 S HA -0.176 4.298 4.470 0.005 0.000 0.238 399 S C 1.349 175.770 174.600 -0.299 0.000 1.010 399 S CA 0.968 59.014 58.200 -0.257 0.000 0.972 399 S CB -0.045 63.056 63.200 -0.165 0.000 0.774 399 S HN 0.673 nan 8.310 nan 0.000 0.501 400 Q N 0.174 119.817 119.800 -0.262 0.000 2.079 400 Q HA -0.020 4.323 4.340 0.005 0.000 0.200 400 Q C 1.244 176.965 176.000 -0.464 0.000 0.974 400 Q CA 1.255 56.910 55.803 -0.248 0.000 0.840 400 Q CB -0.317 28.352 28.738 -0.115 0.000 0.898 400 Q HN 0.650 nan 8.270 nan 0.000 0.430 401 c N -0.910 117.396 118.600 -0.490 0.000 2.555 401 c HA 0.514 5.087 4.570 0.005 0.000 0.364 401 c C 0.148 173.635 174.090 -1.005 0.000 2.249 401 c CA -0.788 55.189 56.329 -0.587 0.000 1.843 401 c CB -0.127 42.267 42.510 -0.194 0.000 1.954 401 c HN 0.181 nan 8.230 nan 0.000 0.458 402 F N -0.827 119.100 119.950 -0.040 0.000 2.664 402 F HA 0.562 5.093 4.527 0.007 0.000 0.317 402 F C 0.098 175.791 175.800 -0.177 0.000 1.108 402 F CA -0.506 57.383 58.000 -0.186 0.000 0.957 402 F CB 1.125 39.905 39.000 -0.367 0.000 1.365 402 F HN 0.345 nan 8.300 nan 0.000 0.475 403 S N 0.308 115.961 115.700 -0.079 0.000 2.536 403 S HA 0.692 5.166 4.470 0.005 0.000 0.287 403 S C -1.540 172.996 174.600 -0.107 0.000 1.101 403 S CA -0.619 57.608 58.200 0.045 0.000 0.950 403 S CB 1.164 64.340 63.200 -0.040 0.000 1.056 403 S HN 0.354 nan 8.310 nan 0.000 0.481 404 F N 1.861 121.994 119.950 0.304 0.000 2.411 404 F HA 0.431 4.962 4.527 0.006 0.000 0.352 404 F C 0.570 176.590 175.800 0.368 0.000 1.123 404 F CA -0.601 57.523 58.000 0.207 0.000 1.044 404 F CB 1.077 39.998 39.000 -0.131 0.000 1.135 404 F HN 0.514 nan 8.300 nan 0.000 0.461 405 E N 2.203 122.624 120.200 0.367 0.000 2.191 405 E HA 0.314 4.667 4.350 0.005 0.000 0.278 405 E C -0.471 176.285 176.600 0.260 0.000 0.972 405 E CA -0.653 55.728 56.400 -0.033 0.000 0.804 405 E CB 1.434 30.887 29.700 -0.412 0.000 1.110 405 E HN 0.537 nan 8.360 nan 0.000 0.394 406 S N 2.898 118.704 115.700 0.177 0.000 2.549 406 S HA 0.017 4.490 4.470 0.005 0.000 0.283 406 S C 0.950 175.474 174.600 -0.125 0.000 1.320 406 S CA -0.556 57.634 58.200 -0.018 0.000 1.058 406 S CB 1.048 64.240 63.200 -0.013 0.000 0.882 406 S HN 0.491 nan 8.310 nan 0.000 0.498 407 V N 4.349 124.124 119.914 -0.233 0.000 2.407 407 V HA -0.059 4.064 4.120 0.005 0.000 0.245 407 V C 2.338 178.359 176.094 -0.122 0.000 1.041 407 V CA 1.984 64.189 62.300 -0.158 0.000 1.040 407 V CB -0.622 31.089 31.823 -0.186 0.000 0.671 407 V HN 1.020 nan 8.190 nan 0.000 0.455 408 D N -0.620 119.703 120.400 -0.130 0.000 2.183 408 D HA -0.109 4.534 4.640 0.005 0.000 0.203 408 D C 0.782 177.061 176.300 -0.036 0.000 0.969 408 D CA 1.140 55.097 54.000 -0.072 0.000 0.842 408 D CB -0.126 40.635 40.800 -0.065 0.000 0.957 408 D HN 0.450 nan 8.370 nan 0.000 0.484 409 T N 2.676 117.210 114.554 -0.032 0.000 3.331 409 T HA 0.362 4.715 4.350 0.005 0.000 0.381 409 T C -2.623 172.037 174.700 -0.067 0.000 1.656 409 T CA -1.231 60.848 62.100 -0.034 0.000 1.453 409 T CB 1.672 70.524 68.868 -0.028 0.000 1.066 409 T HN -0.022 nan 8.240 nan 0.000 0.655 410 P HA 0.315 nan 4.420 nan 0.000 0.269 410 P C 1.186 178.433 177.300 -0.089 0.000 1.215 410 P CA 0.860 63.903 63.100 -0.095 0.000 0.780 410 P CB 0.457 32.120 31.700 -0.061 0.000 0.898 411 G N 0.214 108.942 108.800 -0.120 0.000 2.195 411 G HA2 -0.197 3.766 3.960 0.005 0.000 0.246 411 G HA3 -0.197 3.766 3.960 0.005 0.000 0.246 411 G C 0.155 175.056 174.900 0.003 0.000 0.984 411 G CA 0.081 45.165 45.100 -0.026 0.000 0.633 411 G HN 0.591 nan 8.290 nan 0.000 0.525 412 S N -0.479 115.152 115.700 -0.114 0.000 2.536 412 S HA 0.847 5.321 4.470 0.005 0.000 0.298 412 S C -0.830 173.732 174.600 -0.065 0.000 1.083 412 S CA -0.577 57.657 58.200 0.057 0.000 0.995 412 S CB 1.824 65.052 63.200 0.047 0.000 1.058 412 S HN 0.389 nan 8.310 nan 0.000 0.488 413 Y N 0.003 120.521 120.300 0.363 0.000 2.665 413 Y HA 0.554 5.108 4.550 0.006 0.000 0.336 413 Y C -0.005 176.029 175.900 0.223 0.000 1.085 413 Y CA -1.278 57.025 58.100 0.338 0.000 1.096 413 Y CB 0.922 39.604 38.460 0.369 0.000 1.301 413 Y HN 0.446 nan 8.280 nan 0.000 0.493 414 I N 3.037 123.800 120.570 0.322 0.000 2.396 414 I HA 0.299 4.473 4.170 0.005 0.000 0.289 414 I C -0.550 175.677 176.117 0.183 0.000 1.056 414 I CA -0.137 61.215 61.300 0.087 0.000 1.365 414 I CB 0.534 38.435 38.000 -0.165 0.000 1.407 414 I HN 0.588 nan 8.210 nan 0.000 0.509 415 R N 4.174 124.693 120.500 0.033 0.000 2.771 415 R HA 0.551 4.895 4.340 0.005 0.000 0.274 415 R C -1.007 175.306 176.300 0.022 0.000 0.987 415 R CA -0.997 55.081 56.100 -0.036 0.000 0.908 415 R CB 0.774 30.813 30.300 -0.434 0.000 1.213 415 R HN 0.591 nan 8.270 nan 0.000 0.468 416 H N -0.635 118.499 119.070 0.107 0.000 2.467 416 H HA 0.576 5.135 4.556 0.005 0.000 0.331 416 H C -1.437 173.926 175.328 0.059 0.000 1.120 416 H CA -0.951 55.144 56.048 0.078 0.000 1.270 416 H CB 1.222 31.074 29.762 0.149 0.000 1.466 416 H HN 0.690 nan 8.280 nan 0.000 0.504 417 Y N 2.683 123.001 120.300 0.029 0.000 2.332 417 Y HA 0.216 4.769 4.550 0.005 0.000 0.325 417 Y C -0.271 175.576 175.900 -0.089 0.000 1.054 417 Y CA -0.990 57.072 58.100 -0.063 0.000 1.119 417 Y CB 1.043 39.468 38.460 -0.059 0.000 1.168 417 Y HN 1.014 nan 8.280 nan 0.000 0.439 418 N N 5.553 123.917 118.700 -0.560 0.000 2.714 418 N HA -0.271 4.472 4.740 0.005 0.000 0.250 418 N C -0.499 174.886 175.510 -0.208 0.000 1.117 418 N CA 1.793 54.551 53.050 -0.487 0.000 0.719 418 N CB -1.031 37.350 38.487 -0.177 0.000 1.081 418 N HN 0.787 nan 8.380 nan 0.000 0.557 419 F N -1.591 118.388 119.950 0.047 0.000 2.999 419 F HA -0.225 4.305 4.527 0.005 0.000 0.291 419 F C 0.464 176.284 175.800 0.034 0.000 0.824 419 F CA 0.504 58.529 58.000 0.042 0.000 1.255 419 F CB -1.978 37.101 39.000 0.132 0.000 1.333 419 F HN 0.152 nan 8.300 nan 0.000 0.502 420 E N 0.607 120.907 120.200 0.166 0.000 2.176 420 E HA 0.532 4.885 4.350 0.005 0.000 0.267 420 E C -0.183 176.379 176.600 -0.064 0.000 0.893 420 E CA -0.976 55.422 56.400 -0.003 0.000 0.761 420 E CB 1.698 31.416 29.700 0.029 0.000 1.133 420 E HN 0.113 nan 8.360 nan 0.000 0.409 421 L N 5.097 126.169 121.223 -0.253 0.000 2.433 421 L HA 0.273 4.616 4.340 0.005 0.000 0.275 421 L C -0.192 176.553 176.870 -0.209 0.000 1.128 421 L CA 0.224 54.894 54.840 -0.284 0.000 0.875 421 L CB -0.122 41.588 42.059 -0.583 0.000 1.171 421 L HN 0.352 nan 8.230 nan 0.000 0.463 422 L N 3.924 125.078 121.223 -0.115 0.000 2.279 422 L HA 0.522 4.865 4.340 0.005 0.000 0.262 422 L C -0.694 176.150 176.870 -0.045 0.000 1.019 422 L CA -0.975 53.821 54.840 -0.073 0.000 0.823 422 L CB 2.278 44.308 42.059 -0.049 0.000 1.358 422 L HN 0.348 nan 8.230 nan 0.000 0.432 423 L N 2.225 123.429 121.223 -0.031 0.000 2.335 423 L HA 0.469 4.813 4.340 0.005 0.000 0.268 423 L C -0.832 176.064 176.870 0.043 0.000 1.037 423 L CA 0.028 54.864 54.840 -0.005 0.000 0.895 423 L CB -0.081 41.881 42.059 -0.161 0.000 1.266 423 L HN 0.444 nan 8.230 nan 0.000 0.439 424 N N 2.797 121.597 118.700 0.166 0.000 2.404 424 N HA 0.666 5.410 4.740 0.005 0.000 0.297 424 N C -0.516 175.205 175.510 0.351 0.000 1.163 424 N CA -0.425 52.769 53.050 0.240 0.000 0.864 424 N CB 1.900 40.570 38.487 0.305 0.000 1.247 424 N HN 0.563 nan 8.380 nan 0.000 0.510 425 A N 0.892 123.798 122.820 0.144 0.000 2.401 425 A HA 0.163 4.487 4.320 0.005 0.000 0.259 425 A C 0.414 177.753 177.584 -0.408 0.000 1.103 425 A CA -0.367 51.671 52.037 0.001 0.000 0.789 425 A CB -0.306 18.666 19.000 -0.047 0.000 1.035 425 A HN 0.660 nan 8.150 nan 0.000 0.491 426 N N 1.578 119.975 118.700 -0.504 0.000 2.429 426 N HA 0.039 4.782 4.740 0.005 0.000 0.271 426 N C -0.040 175.029 175.510 -0.734 0.000 1.272 426 N CA 0.257 52.566 53.050 -1.235 0.000 0.921 426 N CB 0.622 38.922 38.487 -0.312 0.000 1.128 426 N HN 0.560 nan 8.380 nan 0.000 0.481 427 D N 2.343 122.249 120.400 -0.824 0.000 2.370 427 D HA 0.186 4.829 4.640 0.005 0.000 0.230 427 D C 1.297 177.447 176.300 -0.250 0.000 1.143 427 D CA 0.091 53.879 54.000 -0.354 0.000 0.834 427 D CB -0.510 40.156 40.800 -0.224 0.000 0.944 427 D HN 0.638 nan 8.370 nan 0.000 0.504 428 G N 0.282 108.933 108.800 -0.249 0.000 2.270 428 G HA2 -0.368 3.595 3.960 0.005 0.000 0.268 428 G HA3 -0.368 3.595 3.960 0.005 0.000 0.268 428 G C 0.755 175.408 174.900 -0.411 0.000 0.982 428 G CA 1.114 46.114 45.100 -0.167 0.000 0.628 428 G HN 0.835 nan 8.290 nan 0.000 0.544 429 T N -2.182 112.154 114.554 -0.362 0.000 2.726 429 T HA 0.484 4.837 4.350 0.005 0.000 0.294 429 T C 1.364 175.740 174.700 -0.540 0.000 1.013 429 T CA 0.772 62.668 62.100 -0.339 0.000 0.996 429 T CB 1.494 70.280 68.868 -0.137 0.000 1.016 429 T HN 0.355 nan 8.240 nan 0.000 0.529 430 K N -0.203 120.026 120.400 -0.284 0.000 2.062 430 K HA -0.130 4.194 4.320 0.005 0.000 0.205 430 K C 2.423 178.989 176.600 -0.057 0.000 1.051 430 K CA 1.028 57.212 56.287 -0.172 0.000 0.941 430 K CB -0.252 32.181 32.500 -0.112 0.000 0.719 430 K HN 0.630 nan 8.250 nan 0.000 0.440 431 Q N 0.467 120.249 119.800 -0.030 0.000 2.002 431 Q HA -0.202 4.142 4.340 0.005 0.000 0.204 431 Q C 1.793 177.821 176.000 0.046 0.000 0.988 431 Q CA 2.168 57.986 55.803 0.024 0.000 0.843 431 Q CB -0.597 28.165 28.738 0.040 0.000 0.908 431 Q HN 0.384 nan 8.270 nan 0.000 0.420 432 F N 0.117 120.028 119.950 -0.065 0.000 2.091 432 F HA -0.285 4.245 4.527 0.005 0.000 0.299 432 F C 2.077 177.891 175.800 0.023 0.000 1.103 432 F CA 2.340 60.324 58.000 -0.026 0.000 1.228 432 F CB -0.376 38.606 39.000 -0.030 0.000 0.984 432 F HN 0.328 nan 8.300 nan 0.000 0.477 433 H N -0.513 118.641 119.070 0.139 0.000 2.289 433 H HA -0.195 4.365 4.556 0.005 0.000 0.296 433 H C 2.076 177.319 175.328 -0.142 0.000 1.091 433 H CA 1.552 57.588 56.048 -0.019 0.000 1.274 433 H CB -0.229 29.494 29.762 -0.064 0.000 1.364 433 H HN 0.422 nan 8.280 nan 0.000 0.490 434 E N 0.294 120.525 120.200 0.052 0.000 2.204 434 E HA -0.126 4.227 4.350 0.005 0.000 0.194 434 E C 1.128 177.732 176.600 0.007 0.000 0.989 434 E CA 0.773 57.226 56.400 0.087 0.000 0.824 434 E CB 0.089 29.948 29.700 0.265 0.000 0.756 434 E HN 0.502 nan 8.360 nan 0.000 0.477 435 D N -0.117 120.165 120.400 -0.197 0.000 2.349 435 D HA 0.033 4.676 4.640 0.005 0.000 0.224 435 D C 1.047 177.054 176.300 -0.489 0.000 1.029 435 D CA 0.346 54.017 54.000 -0.549 0.000 0.879 435 D CB 0.530 40.952 40.800 -0.631 0.000 0.906 435 D HN 0.130 nan 8.370 nan 0.000 0.528 436 A N -0.205 122.393 122.820 -0.371 0.000 2.431 436 A HA 0.162 4.485 4.320 0.005 0.000 0.239 436 A C 0.855 178.341 177.584 -0.163 0.000 1.230 436 A CA -0.092 51.832 52.037 -0.188 0.000 0.928 436 A CB 0.307 19.152 19.000 -0.257 0.000 1.006 436 A HN -0.020 nan 8.150 nan 0.000 0.520 437 T N 0.945 115.266 114.554 -0.388 0.000 2.780 437 T HA 0.581 4.934 4.350 0.005 0.000 0.294 437 T C -1.004 173.370 174.700 -0.544 0.000 0.949 437 T CA 0.437 62.346 62.100 -0.319 0.000 1.074 437 T CB 0.104 68.773 68.868 -0.331 0.000 0.910 437 T HN 0.152 nan 8.240 nan 0.000 0.501 438 F N 1.176 121.274 119.950 0.247 0.000 2.556 438 F HA 0.452 4.983 4.527 0.006 0.000 0.314 438 F C -0.088 175.872 175.800 0.266 0.000 1.106 438 F CA -1.128 57.049 58.000 0.294 0.000 0.911 438 F CB 1.330 40.527 39.000 0.329 0.000 1.190 438 F HN 0.459 nan 8.300 nan 0.000 0.448 439 c N 3.738 122.562 118.600 0.373 0.000 2.303 439 c HA 0.520 5.093 4.570 0.005 0.000 0.326 439 c C -2.362 171.933 174.090 0.341 0.000 1.285 439 c CA -1.710 54.801 56.329 0.303 0.000 1.675 439 c CB 0.994 43.625 42.510 0.202 0.000 2.289 439 c HN 0.451 nan 8.230 nan 0.000 0.512 440 P HA 0.180 nan 4.420 nan 0.000 0.267 440 P C -0.690 176.760 177.300 0.251 0.000 1.205 440 P CA 0.388 63.699 63.100 0.351 0.000 0.765 440 P CB 0.382 32.317 31.700 0.392 0.000 0.828 441 Q N 2.179 122.116 119.800 0.229 0.000 2.359 441 Q HA 0.610 4.954 4.340 0.005 0.000 0.274 441 Q C -1.034 175.049 176.000 0.138 0.000 1.074 441 Q CA -1.107 54.815 55.803 0.198 0.000 0.810 441 Q CB 1.989 30.890 28.738 0.272 0.000 1.342 441 Q HN 0.471 nan 8.270 nan 0.000 0.427 442 A N 2.238 125.118 122.820 0.100 0.000 2.553 442 A HA 0.390 4.713 4.320 0.005 0.000 0.258 442 A C 0.381 177.992 177.584 0.045 0.000 1.069 442 A CA 0.683 52.756 52.037 0.059 0.000 0.767 442 A CB -0.388 18.641 19.000 0.049 0.000 0.997 442 A HN 0.822 nan 8.150 nan 0.000 0.512 443 A N 2.979 125.818 122.820 0.032 0.000 2.615 443 A HA 0.065 4.389 4.320 0.005 0.000 0.240 443 A C 1.304 178.870 177.584 -0.030 0.000 1.003 443 A CA 0.534 52.572 52.037 0.002 0.000 0.778 443 A CB -0.263 18.731 19.000 -0.009 0.000 0.907 443 A HN 1.008 nan 8.150 nan 0.000 0.507 444 L N 1.722 122.900 121.223 -0.075 0.000 2.131 444 L HA -0.193 4.150 4.340 0.005 0.000 0.210 444 L C 2.234 179.067 176.870 -0.061 0.000 1.092 444 L CA 1.796 56.588 54.840 -0.080 0.000 0.759 444 L CB -0.588 41.394 42.059 -0.129 0.000 0.903 444 L HN 1.011 nan 8.230 nan 0.000 0.435 445 N N -0.119 118.537 118.700 -0.073 0.000 2.412 445 N HA 0.000 4.744 4.740 0.005 0.000 0.184 445 N C 1.275 176.760 175.510 -0.041 0.000 1.101 445 N CA 0.958 53.973 53.050 -0.058 0.000 0.881 445 N CB 0.481 38.923 38.487 -0.074 0.000 0.969 445 N HN 0.258 nan 8.380 nan 0.000 0.459 446 G N -0.366 108.413 108.800 -0.035 0.000 2.194 446 G HA2 -0.257 3.706 3.960 0.005 0.000 0.236 446 G HA3 -0.257 3.706 3.960 0.005 0.000 0.236 446 G C -0.510 174.378 174.900 -0.021 0.000 0.987 446 G CA 0.055 45.142 45.100 -0.021 0.000 0.635 446 G HN 0.480 nan 8.290 nan 0.000 0.520 447 E N 0.833 121.014 120.200 -0.032 0.000 2.042 447 E HA 0.499 4.853 4.350 0.005 0.000 0.260 447 E C 0.979 177.568 176.600 -0.018 0.000 0.975 447 E CA 0.305 56.687 56.400 -0.029 0.000 0.799 447 E CB 0.700 30.375 29.700 -0.042 0.000 1.131 447 E HN 1.309 nan 8.360 nan 0.000 0.423 448 G N 2.263 111.061 108.800 -0.004 0.000 2.578 448 G HA2 -0.247 3.716 3.960 0.005 0.000 0.232 448 G HA3 -0.247 3.716 3.960 0.005 0.000 0.232 448 G C -0.108 174.808 174.900 0.026 0.000 1.176 448 G CA -0.183 44.926 45.100 0.015 0.000 0.968 448 G HN 0.514 nan 8.290 nan 0.000 0.583 449 T N -0.630 113.970 114.554 0.076 0.000 2.924 449 T HA 0.683 5.036 4.350 0.005 0.000 0.291 449 T C -0.549 174.257 174.700 0.177 0.000 1.045 449 T CA 0.679 62.840 62.100 0.101 0.000 1.015 449 T CB 1.619 70.541 68.868 0.090 0.000 1.103 449 T HN 1.183 nan 8.240 nan 0.000 0.496 450 S N 2.886 118.692 115.700 0.177 0.000 2.640 450 S HA 0.473 4.946 4.470 0.005 0.000 0.320 450 S C -0.418 174.368 174.600 0.309 0.000 1.097 450 S CA -0.626 57.712 58.200 0.229 0.000 1.092 450 S CB 0.418 63.679 63.200 0.102 0.000 0.988 450 S HN 0.596 nan 8.310 nan 0.000 0.470 451 L N 3.972 125.332 121.223 0.228 0.000 2.385 451 L HA 0.387 4.730 4.340 0.005 0.000 0.285 451 L C 0.776 177.872 176.870 0.377 0.000 1.125 451 L CA -0.226 54.683 54.840 0.114 0.000 0.890 451 L CB -0.069 41.576 42.059 -0.690 0.000 1.251 451 L HN 0.428 nan 8.230 nan 0.000 0.445 452 R N 2.227 122.946 120.500 0.364 0.000 2.308 452 R HA 0.225 4.568 4.340 0.005 0.000 0.305 452 R C 0.304 176.736 176.300 0.221 0.000 1.053 452 R CA -0.213 55.911 56.100 0.040 0.000 0.957 452 R CB 1.248 31.457 30.300 -0.151 0.000 1.022 452 R HN 0.569 nan 8.270 nan 0.000 0.461 453 S N 2.900 118.712 115.700 0.186 0.000 2.573 453 S HA -0.069 4.404 4.470 0.005 0.000 0.277 453 S C 0.481 175.102 174.600 0.034 0.000 1.346 453 S CA -0.309 58.006 58.200 0.191 0.000 1.034 453 S CB 0.497 63.801 63.200 0.174 0.000 0.879 453 S HN 0.754 nan 8.310 nan 0.000 0.528 454 W N 2.867 124.067 121.300 -0.167 0.000 2.574 454 W HA 0.079 4.741 4.660 0.004 0.000 0.282 454 W C 2.346 178.764 176.519 -0.168 0.000 1.197 454 W CA 0.840 58.047 57.345 -0.229 0.000 1.376 454 W CB -0.669 28.666 29.460 -0.208 0.000 1.091 454 W HN 0.800 nan 8.180 nan 0.000 0.569 455 S N -1.258 114.553 115.700 0.185 0.000 2.522 455 S HA -0.041 4.432 4.470 0.005 0.000 0.227 455 S C 0.105 174.830 174.600 0.208 0.000 0.986 455 S CA 0.589 58.905 58.200 0.194 0.000 0.929 455 S CB -0.610 62.934 63.200 0.574 0.000 0.769 455 S HN 0.333 nan 8.310 nan 0.000 0.529 456 Y N 1.405 121.704 120.300 -0.002 0.000 2.512 456 Y HA 0.350 4.903 4.550 0.006 0.000 0.326 456 Y C -2.114 173.694 175.900 -0.153 0.000 1.008 456 Y CA -2.012 56.075 58.100 -0.023 0.000 1.139 456 Y CB 1.308 39.749 38.460 -0.031 0.000 1.137 456 Y HN 0.099 nan 8.280 nan 0.000 0.630 457 P HA -0.227 nan 4.420 nan 0.000 0.224 457 P C 1.162 178.343 177.300 -0.198 0.000 1.138 457 P CA 1.803 64.738 63.100 -0.274 0.000 0.780 457 P CB -0.054 31.408 31.700 -0.398 0.000 0.755 458 T N -4.687 109.819 114.554 -0.080 0.000 3.107 458 T HA 0.173 4.526 4.350 0.005 0.000 0.249 458 T C 0.870 175.574 174.700 0.007 0.000 1.096 458 T CA -0.221 61.870 62.100 -0.014 0.000 1.012 458 T CB 0.001 68.876 68.868 0.011 0.000 0.977 458 T HN 0.109 nan 8.240 nan 0.000 0.527 459 R N 0.094 120.538 120.500 -0.093 0.000 2.637 459 R HA 0.666 5.010 4.340 0.005 0.000 0.291 459 R C -1.518 174.732 176.300 -0.083 0.000 0.963 459 R CA -0.750 55.352 56.100 0.004 0.000 0.901 459 R CB 1.468 31.727 30.300 -0.069 0.000 1.160 459 R HN 0.266 nan 8.270 nan 0.000 0.457 460 Y N 0.418 120.873 120.300 0.259 0.000 2.602 460 Y HA 0.375 4.929 4.550 0.006 0.000 0.342 460 Y C -0.122 175.938 175.900 0.268 0.000 1.029 460 Y CA -1.077 57.192 58.100 0.282 0.000 1.080 460 Y CB 1.013 39.597 38.460 0.206 0.000 1.284 460 Y HN 0.348 nan 8.280 nan 0.000 0.485 461 F N 2.844 122.888 119.950 0.158 0.000 2.608 461 F HA 0.220 4.750 4.527 0.006 0.000 0.380 461 F C 0.499 176.394 175.800 0.158 0.000 1.083 461 F CA 0.233 58.206 58.000 -0.046 0.000 1.266 461 F CB 0.223 39.005 39.000 -0.363 0.000 1.076 461 F HN 0.188 nan 8.300 nan 0.000 0.574 462 R N 3.580 124.202 120.500 0.203 0.000 2.515 462 R HA 0.191 4.534 4.340 0.005 0.000 0.278 462 R C -1.610 174.809 176.300 0.199 0.000 1.107 462 R CA -0.859 55.349 56.100 0.181 0.000 0.945 462 R CB 1.101 31.448 30.300 0.079 0.000 1.219 462 R HN 0.865 nan 8.270 nan 0.000 0.434 463 H N 1.851 121.028 119.070 0.177 0.000 2.527 463 H HA 0.472 5.031 4.556 0.005 0.000 0.321 463 H C -1.530 173.907 175.328 0.182 0.000 1.087 463 H CA -0.521 55.603 56.048 0.126 0.000 1.337 463 H CB 1.135 30.928 29.762 0.051 0.000 1.440 463 H HN 0.533 nan 8.280 nan 0.000 0.490 464 Y N 2.585 123.000 120.300 0.192 0.000 2.333 464 Y HA 0.207 4.760 4.550 0.005 0.000 0.324 464 Y C -0.580 175.443 175.900 0.205 0.000 1.033 464 Y CA -0.959 57.242 58.100 0.168 0.000 1.224 464 Y CB 0.737 39.345 38.460 0.247 0.000 1.120 464 Y HN 1.085 nan 8.280 nan 0.000 0.457 465 E N 4.685 124.720 120.200 -0.276 0.000 2.416 465 E HA -0.317 4.036 4.350 0.005 0.000 0.249 465 E C -0.209 176.380 176.600 -0.018 0.000 1.124 465 E CA 0.703 56.983 56.400 -0.200 0.000 0.732 465 E CB -1.056 28.487 29.700 -0.262 0.000 1.286 465 E HN 0.904 nan 8.360 nan 0.000 0.394 466 N N -2.721 115.977 118.700 -0.003 0.000 2.753 466 N HA -0.183 4.561 4.740 0.005 0.000 0.251 466 N C -0.645 174.878 175.510 0.022 0.000 1.097 466 N CA 1.386 54.445 53.050 0.016 0.000 0.786 466 N CB -1.064 37.440 38.487 0.027 0.000 1.137 466 N HN 0.213 nan 8.380 nan 0.000 0.566 467 V N 1.130 121.062 119.914 0.030 0.000 2.604 467 V HA 0.422 4.546 4.120 0.005 0.000 0.305 467 V C 0.337 176.228 176.094 -0.339 0.000 1.043 467 V CA -0.926 61.282 62.300 -0.154 0.000 0.888 467 V CB 2.682 34.394 31.823 -0.186 0.000 0.995 467 V HN 0.013 nan 8.190 nan 0.000 0.429 468 L N 4.549 125.504 121.223 -0.446 0.000 2.331 468 L HA 0.504 4.848 4.340 0.005 0.000 0.278 468 L C -0.725 175.669 176.870 -0.794 0.000 1.106 468 L CA 0.293 54.851 54.840 -0.470 0.000 0.824 468 L CB 0.623 42.415 42.059 -0.445 0.000 1.142 468 L HN 0.619 nan 8.230 nan 0.000 0.443 469 Y N 0.484 120.605 120.300 -0.298 0.000 2.605 469 Y HA 0.539 5.092 4.550 0.005 0.000 0.343 469 Y C 0.307 176.062 175.900 -0.242 0.000 1.036 469 Y CA -1.080 56.779 58.100 -0.402 0.000 1.065 469 Y CB 1.734 39.735 38.460 -0.763 0.000 1.288 469 Y HN 0.547 nan 8.280 nan 0.000 0.481 470 A N 1.384 124.230 122.820 0.042 0.000 3.016 470 A HA 0.713 5.036 4.320 0.005 0.000 0.303 470 A C -0.136 177.514 177.584 0.110 0.000 1.507 470 A CA -0.212 51.868 52.037 0.073 0.000 1.196 470 A CB -1.165 17.859 19.000 0.040 0.000 1.169 470 A HN 0.685 nan 8.150 nan 0.000 0.544 471 A N 1.547 124.504 122.820 0.228 0.000 2.316 471 A HA 0.706 5.029 4.320 0.005 0.000 0.284 471 A C 0.705 178.525 177.584 0.394 0.000 1.115 471 A CA 0.136 52.373 52.037 0.333 0.000 0.812 471 A CB 0.399 19.659 19.000 0.433 0.000 1.064 471 A HN 1.424 nan 8.150 nan 0.000 0.489 472 S N 1.151 116.990 115.700 0.232 0.000 2.593 472 S HA 0.379 4.853 4.470 0.005 0.000 0.297 472 S C -0.146 174.324 174.600 -0.216 0.000 1.112 472 S CA -0.806 57.461 58.200 0.113 0.000 1.043 472 S CB 1.060 64.217 63.200 -0.071 0.000 1.054 472 S HN 0.629 nan 8.310 nan 0.000 0.516 473 N N 1.499 119.719 118.700 -0.800 0.000 2.605 473 N HA 0.371 5.114 4.740 0.005 0.000 0.282 473 N C 0.318 175.451 175.510 -0.629 0.000 1.206 473 N CA 1.324 53.437 53.050 -1.561 0.000 1.074 473 N CB -0.946 36.701 38.487 -1.399 0.000 1.434 473 N HN 1.273 nan 8.380 nan 0.000 0.506 474 G N 0.521 109.065 108.800 -0.426 0.000 3.322 474 G HA2 0.368 4.331 3.960 0.005 0.000 0.686 474 G HA3 0.368 4.331 3.960 0.005 0.000 0.686 474 G C -0.154 174.616 174.900 -0.216 0.000 1.015 474 G CA -0.479 44.466 45.100 -0.258 0.000 0.826 474 G HN 0.810 nan 8.290 nan 0.000 0.538 475 G N -0.998 107.679 108.800 -0.204 0.000 2.489 475 G HA2 0.767 4.730 3.960 0.005 0.000 0.305 475 G HA3 0.767 4.730 3.960 0.005 0.000 0.305 475 G C 0.907 175.681 174.900 -0.210 0.000 1.311 475 G CA 0.723 45.703 45.100 -0.199 0.000 0.813 475 G HN 2.098 nan 8.290 nan 0.000 0.480 476 V N -2.033 117.763 119.914 -0.198 0.000 3.461 476 V HA 0.270 4.394 4.120 0.005 0.000 0.267 476 V C 0.624 176.554 176.094 -0.273 0.000 1.186 476 V CA 1.143 63.334 62.300 -0.182 0.000 1.154 476 V CB -0.573 31.185 31.823 -0.108 0.000 0.802 476 V HN 0.426 nan 8.190 nan 0.000 0.474 477 Q N 1.147 120.678 119.800 -0.449 0.000 2.230 477 Q HA 0.429 4.772 4.340 0.005 0.000 0.248 477 Q C 1.578 177.103 176.000 -0.791 0.000 0.915 477 Q CA 0.600 55.948 55.803 -0.758 0.000 0.900 477 Q CB 1.657 29.517 28.738 -1.464 0.000 1.229 477 Q HN 0.571 nan 8.270 nan 0.000 0.439 478 T N -1.315 112.820 114.554 -0.699 0.000 2.803 478 T HA -0.191 4.162 4.350 0.005 0.000 0.269 478 T C 1.209 175.393 174.700 -0.860 0.000 1.052 478 T CA 1.608 63.380 62.100 -0.546 0.000 1.136 478 T CB -0.432 68.256 68.868 -0.299 0.000 0.864 478 T HN 0.628 nan 8.240 nan 0.000 0.467 479 F N 1.165 120.569 119.950 -0.909 0.000 2.802 479 F HA 0.398 4.929 4.527 0.005 0.000 0.300 479 F C 1.107 176.583 175.800 -0.540 0.000 1.168 479 F CA -0.763 56.516 58.000 -1.203 0.000 1.433 479 F CB -0.683 37.539 39.000 -1.296 0.000 1.115 479 F HN 0.021 nan 8.300 nan 0.000 0.582 480 D N 0.444 120.563 120.400 -0.468 0.000 2.340 480 D HA -0.043 4.601 4.640 0.005 0.000 0.220 480 D C 0.758 176.979 176.300 -0.133 0.000 1.039 480 D CA 0.318 54.200 54.000 -0.197 0.000 0.866 480 D CB 0.059 40.677 40.800 -0.303 0.000 0.913 480 D HN 0.272 nan 8.370 nan 0.000 0.523 481 S N 0.639 116.244 115.700 -0.158 0.000 2.599 481 S HA -0.100 4.373 4.470 0.005 0.000 0.303 481 S C 1.301 175.921 174.600 0.033 0.000 1.267 481 S CA 0.139 58.304 58.200 -0.059 0.000 1.055 481 S CB 0.687 63.892 63.200 0.008 0.000 0.790 481 S HN 0.070 nan 8.310 nan 0.000 0.500 482 K N 2.373 122.757 120.400 -0.027 0.000 2.432 482 K HA 0.007 4.330 4.320 0.005 0.000 0.196 482 K C 0.378 177.020 176.600 0.070 0.000 1.038 482 K CA 0.419 56.689 56.287 -0.029 0.000 0.986 482 K CB -0.071 32.372 32.500 -0.095 0.000 0.782 482 K HN 0.526 nan 8.250 nan 0.000 0.485 483 T N 1.414 116.014 114.554 0.076 0.000 2.751 483 T HA -0.007 4.346 4.350 0.005 0.000 0.290 483 T C 0.437 175.198 174.700 0.101 0.000 0.919 483 T CA 0.272 62.421 62.100 0.081 0.000 1.136 483 T CB 0.686 69.602 68.868 0.080 0.000 0.875 483 T HN 0.193 nan 8.240 nan 0.000 0.532 484 S N 2.137 117.885 115.700 0.080 0.000 3.361 484 S HA -0.203 4.271 4.470 0.005 0.000 0.288 484 S C 0.929 175.538 174.600 0.016 0.000 1.269 484 S CA 0.638 58.863 58.200 0.041 0.000 0.976 484 S CB -1.906 61.308 63.200 0.024 0.000 1.162 484 S HN 0.725 nan 8.310 nan 0.000 0.643 485 F N 2.506 122.418 119.950 -0.062 0.000 2.025 485 F HA -0.128 4.402 4.527 0.005 0.000 0.297 485 F C 1.852 177.588 175.800 -0.108 0.000 1.132 485 F CA 2.646 60.600 58.000 -0.077 0.000 1.191 485 F CB -0.680 38.282 39.000 -0.062 0.000 0.963 485 F HN 0.401 nan 8.300 nan 0.000 0.481 486 N N 0.728 119.433 118.700 0.008 0.000 2.137 486 N HA -0.219 4.524 4.740 0.005 0.000 0.190 486 N C 1.458 176.846 175.510 -0.204 0.000 1.017 486 N CA 1.626 54.610 53.050 -0.110 0.000 0.859 486 N CB -0.579 37.900 38.487 -0.013 0.000 1.002 486 N HN 0.348 nan 8.380 nan 0.000 0.428 487 N N 0.573 119.176 118.700 -0.161 0.000 2.207 487 N HA -0.067 4.676 4.740 0.005 0.000 0.182 487 N C 0.575 175.927 175.510 -0.264 0.000 1.020 487 N CA 0.792 53.744 53.050 -0.164 0.000 0.858 487 N CB -0.270 38.174 38.487 -0.071 0.000 0.991 487 N HN 0.267 nan 8.380 nan 0.000 0.427 488 D N 0.308 120.491 120.400 -0.361 0.000 2.350 488 D HA -0.064 4.579 4.640 0.005 0.000 0.216 488 D C 1.426 177.432 176.300 -0.489 0.000 0.968 488 D CA 0.475 54.108 54.000 -0.612 0.000 0.894 488 D CB 0.233 40.585 40.800 -0.747 0.000 0.909 488 D HN 0.252 nan 8.370 nan 0.000 0.520 489 V N -3.022 116.597 119.914 -0.493 0.000 3.276 489 V HA 0.323 4.447 4.120 0.005 0.000 0.319 489 V C 0.276 176.245 176.094 -0.208 0.000 1.427 489 V CA -0.412 61.723 62.300 -0.276 0.000 1.102 489 V CB 0.238 31.771 31.823 -0.483 0.000 1.020 489 V HN -0.203 nan 8.190 nan 0.000 0.456 490 S N 1.343 116.754 115.700 -0.482 0.000 2.498 490 S HA 0.842 5.315 4.470 0.005 0.000 0.317 490 S C -0.984 173.286 174.600 -0.551 0.000 1.090 490 S CA -0.195 57.824 58.200 -0.302 0.000 1.089 490 S CB 1.015 64.091 63.200 -0.206 0.000 0.997 490 S HN 0.399 nan 8.310 nan 0.000 0.470 491 F N 1.028 120.967 119.950 -0.018 0.000 2.563 491 F HA 0.433 4.963 4.527 0.005 0.000 0.316 491 F C 0.436 176.227 175.800 -0.014 0.000 1.076 491 F CA -0.968 57.021 58.000 -0.018 0.000 0.921 491 F CB 1.324 40.315 39.000 -0.016 0.000 1.209 491 F HN 0.295 nan 8.300 nan 0.000 0.462 492 E N 3.007 123.292 120.200 0.143 0.000 2.174 492 E HA 0.345 4.698 4.350 0.005 0.000 0.282 492 E C -0.419 176.255 176.600 0.124 0.000 0.992 492 E CA -0.356 56.094 56.400 0.085 0.000 0.803 492 E CB 1.886 31.602 29.700 0.028 0.000 1.090 492 E HN 0.499 nan 8.360 nan 0.000 0.396 493 I N 3.385 124.017 120.570 0.102 0.000 2.436 493 I HA 0.054 4.227 4.170 0.005 0.000 0.289 493 I C 0.709 176.886 176.117 0.099 0.000 1.083 493 I CA 0.461 61.844 61.300 0.137 0.000 1.372 493 I CB 0.262 38.304 38.000 0.069 0.000 1.408 493 I HN 0.256 nan 8.210 nan 0.000 0.516 494 E N 3.558 123.832 120.200 0.123 0.000 2.410 494 E HA 0.368 4.721 4.350 0.005 0.000 0.269 494 E C -0.734 175.873 176.600 0.012 0.000 0.937 494 E CA -0.999 55.439 56.400 0.062 0.000 0.793 494 E CB 1.635 31.384 29.700 0.083 0.000 1.314 494 E HN 0.397 nan 8.360 nan 0.000 0.447 495 T N 1.500 116.020 114.554 -0.056 0.000 2.905 495 T HA 0.107 4.461 4.350 0.005 0.000 0.299 495 T C 0.123 174.702 174.700 -0.202 0.000 1.024 495 T CA -0.003 62.037 62.100 -0.100 0.000 1.151 495 T CB 0.270 69.069 68.868 -0.114 0.000 0.987 495 T HN 0.510 nan 8.240 nan 0.000 0.535 496 A N 2.988 125.737 122.820 -0.118 0.000 2.511 496 A HA 0.363 4.686 4.320 0.005 0.000 0.242 496 A C 0.949 178.424 177.584 -0.182 0.000 1.069 496 A CA -0.400 51.564 52.037 -0.121 0.000 0.763 496 A CB -0.242 18.740 19.000 -0.029 0.000 1.001 496 A HN 0.816 nan 8.150 nan 0.000 0.498 497 F N 2.264 122.153 119.950 -0.101 0.000 2.234 497 F HA -0.043 4.487 4.527 0.006 0.000 0.299 497 F C 2.335 178.070 175.800 -0.108 0.000 1.087 497 F CA 1.701 59.623 58.000 -0.131 0.000 1.340 497 F CB -0.177 38.704 39.000 -0.198 0.000 1.031 497 F HN 0.590 nan 8.300 nan 0.000 0.500 498 A N -0.099 122.756 122.820 0.059 0.000 2.604 498 A HA 0.363 4.686 4.320 0.005 0.000 0.248 498 A C 0.927 178.504 177.584 -0.012 0.000 1.466 498 A CA 0.725 52.760 52.037 -0.003 0.000 1.222 498 A CB -1.115 17.854 19.000 -0.052 0.000 0.945 498 A HN 0.253 nan 8.150 nan 0.000 0.600 499 S N 0.000 115.697 115.700 -0.005 0.000 2.498 499 S HA 0.000 4.473 4.470 0.005 0.000 0.327 499 S CA 0.000 58.191 58.200 -0.015 0.000 1.107 499 S CB 0.000 63.194 63.200 -0.011 0.000 0.593 499 S HN 0.000 nan 8.310 nan 0.000 0.517