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 2cy0_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLRFAVLGHP VAHSLSPAMH AFALESLGLE GSYEAWDTPL EALPGRLKEV DATA SEQUENCE RRAFRGVNLT LPLKEAALAH LDWVSPEAQR IGAVNTVLQV EGRLFGFNTD DATA SEQUENCE APGFLEALKA GGIPLKGPAL VLGAGGAGRA VAFALREAGL EVWVWNRTPQ DATA SEQUENCE RALALAEEFG LRAVPLEKAR EARLLVNATR VGLEDPSASP LPAELFPEEG DATA SEQUENCE AAVDLVYRPL WTRFLREAKA KGLKVQTGLP MLAWQGALAF RLWTGLLPDP DATA SEQUENCE SGMEEAARRA LG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.176 176.300 -0.207 0.000 1.140 1 M CA 0.000 55.210 55.300 -0.149 0.000 0.988 1 M CB 0.000 32.540 32.600 -0.101 0.000 1.302 2 L N 0.915 121.942 121.223 -0.327 0.000 3.386 2 L HA -0.178 4.166 4.340 0.006 0.000 0.686 2 L C -0.686 175.738 176.870 -0.744 0.000 1.220 2 L CA 0.380 54.865 54.840 -0.592 0.000 1.165 2 L CB -1.136 40.761 42.059 -0.270 0.000 1.730 2 L HN 0.718 nan 8.230 nan 0.000 0.889 3 R N 1.514 121.528 120.500 -0.809 0.000 2.198 3 R HA 0.671 5.015 4.340 0.006 0.000 0.339 3 R C -0.347 175.595 176.300 -0.597 0.000 1.020 3 R CA -0.158 55.555 56.100 -0.646 0.000 0.864 3 R CB 0.753 30.597 30.300 -0.759 0.000 1.105 3 R HN 0.175 nan 8.270 nan 0.000 0.463 4 F N 1.046 120.948 119.950 -0.080 0.000 2.613 4 F HA 0.825 5.356 4.527 0.006 0.000 0.342 4 F C 0.238 175.780 175.800 -0.430 0.000 1.066 4 F CA -0.956 56.851 58.000 -0.321 0.000 1.002 4 F CB 2.064 40.781 39.000 -0.472 0.000 1.319 4 F HN 0.440 nan 8.300 nan 0.000 0.495 5 A N 0.319 122.753 122.820 -0.643 0.000 2.581 5 A HA 0.531 4.854 4.320 0.006 0.000 0.294 5 A C -2.238 175.048 177.584 -0.497 0.000 1.035 5 A CA -0.628 51.009 52.037 -0.668 0.000 0.684 5 A CB 1.043 19.919 19.000 -0.207 0.000 1.282 5 A HN 0.752 nan 8.150 nan 0.000 0.417 6 V N 2.634 122.443 119.914 -0.174 0.000 2.398 6 V HA 0.741 4.865 4.120 0.006 0.000 0.286 6 V C -0.916 175.200 176.094 0.036 0.000 1.026 6 V CA -0.592 61.758 62.300 0.083 0.000 0.868 6 V CB 0.857 32.873 31.823 0.322 0.000 0.982 6 V HN 0.720 nan 8.190 nan 0.000 0.443 7 L N 7.597 128.805 121.223 -0.025 0.000 2.296 7 L HA 1.000 5.343 4.340 0.006 0.000 0.286 7 L C 0.426 177.279 176.870 -0.029 0.000 1.023 7 L CA -0.115 54.666 54.840 -0.098 0.000 0.812 7 L CB 1.372 43.285 42.059 -0.244 0.000 1.223 7 L HN 0.892 nan 8.230 nan 0.000 0.421 8 G N 0.770 109.570 108.800 0.001 0.000 2.338 8 G HA2 0.370 4.333 3.960 0.006 0.000 0.295 8 G HA3 0.370 4.333 3.960 0.006 0.000 0.295 8 G C -2.435 172.528 174.900 0.105 0.000 1.461 8 G CA -0.658 44.468 45.100 0.042 0.000 0.817 8 G HN 0.645 nan 8.290 nan 0.000 0.556 9 H N 0.942 120.012 119.070 -0.000 0.000 3.018 9 H HA 0.686 5.245 4.556 0.006 0.000 0.334 9 H C -2.420 172.915 175.328 0.011 0.000 0.983 9 H CA -1.125 54.928 56.048 0.008 0.000 1.363 9 H CB 2.831 32.592 29.762 -0.002 0.000 1.668 9 H HN 0.539 nan 8.280 nan 0.000 0.513 10 P HA 0.183 nan 4.420 nan 0.000 0.281 10 P C -0.153 177.062 177.300 -0.141 0.000 1.281 10 P CA -0.543 62.269 63.100 -0.480 0.000 0.811 10 P CB 2.286 33.700 31.700 -0.476 0.000 1.154 11 V N -5.339 114.521 119.914 -0.091 0.000 3.509 11 V HA 0.316 4.440 4.120 0.006 0.000 0.286 11 V C 1.811 177.895 176.094 -0.017 0.000 1.618 11 V CA 0.659 62.964 62.300 0.010 0.000 1.088 11 V CB -0.705 31.166 31.823 0.080 0.000 0.909 11 V HN 0.477 nan 8.190 nan 0.000 0.429 12 A N 1.000 123.735 122.820 -0.142 0.000 2.009 12 A HA -0.246 4.077 4.320 0.006 0.000 0.222 12 A C 1.612 179.003 177.584 -0.322 0.000 1.175 12 A CA 2.654 54.521 52.037 -0.283 0.000 0.651 12 A CB -0.921 17.780 19.000 -0.499 0.000 0.815 12 A HN 0.912 nan 8.150 nan 0.000 0.459 13 H N -1.550 117.557 119.070 0.062 0.000 2.475 13 H HA 0.359 4.918 4.556 0.006 0.000 0.276 13 H C 0.491 175.884 175.328 0.109 0.000 1.126 13 H CA 0.139 56.232 56.048 0.076 0.000 1.023 13 H CB 0.359 30.155 29.762 0.058 0.000 1.669 13 H HN 0.352 nan 8.280 nan 0.000 0.573 14 S N 0.837 116.652 115.700 0.191 0.000 2.563 14 S HA 0.013 4.487 4.470 0.006 0.000 0.284 14 S C 1.164 175.880 174.600 0.193 0.000 1.331 14 S CA -0.276 58.049 58.200 0.207 0.000 1.047 14 S CB 0.488 63.815 63.200 0.212 0.000 0.859 14 S HN 0.524 nan 8.310 nan 0.000 0.514 15 L N 3.789 125.112 121.223 0.166 0.000 2.607 15 L HA 0.109 4.453 4.340 0.006 0.000 0.228 15 L C 2.263 179.157 176.870 0.040 0.000 1.123 15 L CA -0.043 54.848 54.840 0.085 0.000 0.890 15 L CB -0.321 41.746 42.059 0.015 0.000 1.103 15 L HN 0.585 nan 8.230 nan 0.000 0.468 16 S N 1.098 116.853 115.700 0.093 0.000 2.356 16 S HA -0.080 4.394 4.470 0.006 0.000 0.223 16 S C -0.502 174.045 174.600 -0.088 0.000 1.032 16 S CA 1.330 59.551 58.200 0.036 0.000 1.005 16 S CB -0.805 62.497 63.200 0.171 0.000 0.867 16 S HN 0.255 nan 8.310 nan 0.000 0.449 17 P HA -0.115 nan 4.420 nan 0.000 0.216 17 P C 1.413 178.784 177.300 0.119 0.000 1.153 17 P CA 1.619 64.852 63.100 0.222 0.000 0.858 17 P CB -0.088 31.795 31.700 0.305 0.000 0.789 18 A N -1.362 121.501 122.820 0.072 0.000 1.898 18 A HA -0.173 4.151 4.320 0.006 0.000 0.216 18 A C 2.186 179.767 177.584 -0.005 0.000 1.181 18 A CA 1.716 53.780 52.037 0.045 0.000 0.620 18 A CB -1.358 17.656 19.000 0.023 0.000 0.819 18 A HN 0.084 nan 8.150 nan 0.000 0.442 19 M N -1.205 118.334 119.600 -0.101 0.000 2.086 19 M HA -0.144 4.340 4.480 0.006 0.000 0.261 19 M C 2.114 178.279 176.300 -0.226 0.000 1.067 19 M CA 1.445 56.613 55.300 -0.220 0.000 1.116 19 M CB -0.723 31.656 32.600 -0.368 0.000 1.348 19 M HN 0.496 nan 8.290 nan 0.000 0.407 20 H N -0.421 118.551 119.070 -0.163 0.000 2.462 20 H HA 0.062 4.622 4.556 0.006 0.000 0.292 20 H C 2.205 177.569 175.328 0.059 0.000 1.049 20 H CA 1.406 57.397 56.048 -0.094 0.000 1.334 20 H CB -0.134 29.474 29.762 -0.257 0.000 1.404 20 H HN 0.399 nan 8.280 nan 0.000 0.544 21 A N 1.237 124.164 122.820 0.178 0.000 1.902 21 A HA -0.190 4.134 4.320 0.006 0.000 0.217 21 A C 2.252 179.893 177.584 0.095 0.000 1.181 21 A CA 1.318 53.457 52.037 0.171 0.000 0.623 21 A CB -1.015 18.076 19.000 0.153 0.000 0.818 21 A HN 0.384 nan 8.150 nan 0.000 0.443 22 F N 1.037 120.947 119.950 -0.066 0.000 2.171 22 F HA -0.009 4.522 4.527 0.006 0.000 0.300 22 F C 2.409 178.103 175.800 -0.176 0.000 1.090 22 F CA 1.115 59.047 58.000 -0.113 0.000 1.293 22 F CB -0.405 38.507 39.000 -0.147 0.000 1.013 22 F HN 0.249 nan 8.300 nan 0.000 0.486 23 A N 1.213 123.875 122.820 -0.263 0.000 1.865 23 A HA -0.154 4.170 4.320 0.006 0.000 0.217 23 A C 2.295 179.556 177.584 -0.538 0.000 1.191 23 A CA 2.017 53.699 52.037 -0.592 0.000 0.623 23 A CB -1.291 17.173 19.000 -0.893 0.000 0.826 23 A HN 0.509 nan 8.150 nan 0.000 0.444 24 L N -0.735 120.360 121.223 -0.215 0.000 1.989 24 L HA -0.226 4.117 4.340 0.006 0.000 0.211 24 L C 2.828 179.654 176.870 -0.073 0.000 1.071 24 L CA 1.795 56.659 54.840 0.041 0.000 0.749 24 L CB -0.608 41.588 42.059 0.229 0.000 0.890 24 L HN 0.458 nan 8.230 nan 0.000 0.431 25 E N 0.622 120.739 120.200 -0.137 0.000 2.038 25 E HA -0.251 4.103 4.350 0.006 0.000 0.195 25 E C 2.287 178.732 176.600 -0.258 0.000 1.000 25 E CA 2.113 58.418 56.400 -0.159 0.000 0.803 25 E CB -0.251 29.358 29.700 -0.151 0.000 0.750 25 E HN 0.504 nan 8.360 nan 0.000 0.448 26 S N 0.110 115.503 115.700 -0.511 0.000 2.402 26 S HA -0.139 4.335 4.470 0.006 0.000 0.233 26 S C 2.085 176.511 174.600 -0.289 0.000 1.030 26 S CA 1.311 59.193 58.200 -0.530 0.000 1.003 26 S CB -0.474 62.138 63.200 -0.980 0.000 0.813 26 S HN 0.343 nan 8.310 nan 0.000 0.477 27 L N 0.919 122.006 121.223 -0.225 0.000 2.628 27 L HA 0.372 4.716 4.340 0.006 0.000 0.229 27 L C 1.571 178.422 176.870 -0.032 0.000 1.137 27 L CA 0.167 54.951 54.840 -0.094 0.000 0.909 27 L CB -0.514 41.529 42.059 -0.026 0.000 1.137 27 L HN 0.545 nan 8.230 nan 0.000 0.470 28 G N 1.229 109.998 108.800 -0.051 0.000 2.221 28 G HA2 -0.274 3.690 3.960 0.006 0.000 0.265 28 G HA3 -0.274 3.690 3.960 0.006 0.000 0.265 28 G C -0.080 174.833 174.900 0.021 0.000 1.041 28 G CA 0.123 45.213 45.100 -0.017 0.000 0.807 28 G HN 0.263 nan 8.290 nan 0.000 0.502 29 L N -0.518 120.736 121.223 0.051 0.000 2.330 29 L HA 0.638 4.981 4.340 0.006 0.000 0.271 29 L C 0.163 177.086 176.870 0.089 0.000 1.013 29 L CA -1.179 53.719 54.840 0.096 0.000 0.816 29 L CB 1.451 43.626 42.059 0.194 0.000 1.287 29 L HN -0.024 nan 8.230 nan 0.000 0.435 30 E N 1.312 121.554 120.200 0.070 0.000 2.216 30 E HA 0.724 5.077 4.350 0.006 0.000 0.279 30 E C -0.084 176.552 176.600 0.060 0.000 0.997 30 E CA -0.149 56.282 56.400 0.052 0.000 0.817 30 E CB 2.121 31.832 29.700 0.019 0.000 1.096 30 E HN 0.793 nan 8.360 nan 0.000 0.393 31 G N 0.607 109.448 108.800 0.068 0.000 2.315 31 G HA2 0.360 4.324 3.960 0.006 0.000 0.294 31 G HA3 0.360 4.324 3.960 0.006 0.000 0.294 31 G C -1.305 173.660 174.900 0.107 0.000 1.300 31 G CA -0.200 44.932 45.100 0.053 0.000 0.843 31 G HN 0.587 nan 8.290 nan 0.000 0.527 32 S N -1.578 114.187 115.700 0.109 0.000 2.556 32 S HA 0.748 5.222 4.470 0.006 0.000 0.271 32 S C -1.813 172.974 174.600 0.313 0.000 1.135 32 S CA -0.779 57.532 58.200 0.185 0.000 0.858 32 S CB 2.365 65.617 63.200 0.086 0.000 1.114 32 S HN 1.785 nan 8.310 nan 0.000 0.468 33 Y N 1.756 122.207 120.300 0.251 0.000 2.322 33 Y HA 0.479 5.033 4.550 0.006 0.000 0.324 33 Y C -0.717 175.319 175.900 0.227 0.000 1.027 33 Y CA -0.527 57.750 58.100 0.294 0.000 1.179 33 Y CB 1.227 39.899 38.460 0.354 0.000 1.136 33 Y HN 0.979 nan 8.280 nan 0.000 0.449 34 E N 4.179 124.506 120.200 0.212 0.000 2.227 34 E HA 0.828 5.182 4.350 0.006 0.000 0.268 34 E C -1.350 175.368 176.600 0.196 0.000 0.907 34 E CA -1.361 55.165 56.400 0.211 0.000 0.786 34 E CB 2.094 31.881 29.700 0.145 0.000 1.191 34 E HN 0.685 nan 8.360 nan 0.000 0.411 35 A N 3.477 126.426 122.820 0.215 0.000 2.302 35 A HA 0.243 4.566 4.320 0.006 0.000 0.295 35 A C -1.409 176.311 177.584 0.226 0.000 1.235 35 A CA -0.549 51.616 52.037 0.213 0.000 0.876 35 A CB -0.138 18.971 19.000 0.182 0.000 1.133 35 A HN 0.655 nan 8.150 nan 0.000 0.533 36 W N 4.190 125.488 121.300 -0.003 0.000 2.443 36 W HA 0.353 5.018 4.660 0.007 0.000 0.303 36 W C -0.655 175.856 176.519 -0.013 0.000 0.991 36 W CA -1.754 55.576 57.345 -0.025 0.000 1.522 36 W CB 0.232 29.636 29.460 -0.093 0.000 1.315 36 W HN 0.832 nan 8.180 nan 0.000 0.419 37 D N 2.897 123.574 120.400 0.462 0.000 2.583 37 D HA 0.096 4.739 4.640 0.006 0.000 0.232 37 D C -0.365 176.044 176.300 0.182 0.000 1.128 37 D CA 1.629 55.808 54.000 0.298 0.000 0.859 37 D CB 0.803 41.783 40.800 0.300 0.000 1.169 37 D HN 0.145 nan 8.370 nan 0.000 0.481 38 T N 4.987 119.576 114.554 0.059 0.000 3.187 38 T HA 0.293 4.646 4.350 0.006 0.000 0.328 38 T C -2.561 172.105 174.700 -0.058 0.000 0.951 38 T CA -0.967 61.077 62.100 -0.094 0.000 1.049 38 T CB 1.646 70.342 68.868 -0.286 0.000 1.015 38 T HN 0.215 nan 8.240 nan 0.000 0.461 39 P HA 0.152 nan 4.420 nan 0.000 0.271 39 P C 1.126 178.370 177.300 -0.093 0.000 1.233 39 P CA -0.598 62.431 63.100 -0.119 0.000 0.789 39 P CB 0.607 32.203 31.700 -0.173 0.000 0.951 40 L N -0.179 121.003 121.223 -0.068 0.000 2.633 40 L HA -0.001 4.342 4.340 0.006 0.000 0.235 40 L C 0.936 177.761 176.870 -0.075 0.000 1.163 40 L CA 1.603 56.404 54.840 -0.064 0.000 0.859 40 L CB -0.378 41.660 42.059 -0.035 0.000 0.973 40 L HN 0.227 nan 8.230 nan 0.000 0.451 41 E N -0.090 120.061 120.200 -0.082 0.000 2.539 41 E HA 0.234 4.588 4.350 0.006 0.000 0.215 41 E C 1.379 177.926 176.600 -0.090 0.000 0.965 41 E CA 0.645 57.001 56.400 -0.073 0.000 1.019 41 E CB 0.958 30.624 29.700 -0.057 0.000 1.059 41 E HN 0.585 nan 8.360 nan 0.000 0.496 42 A N 0.820 123.573 122.820 -0.112 0.000 2.465 42 A HA 0.131 4.455 4.320 0.006 0.000 0.255 42 A C 1.677 179.151 177.584 -0.184 0.000 1.274 42 A CA -0.111 51.852 52.037 -0.123 0.000 0.920 42 A CB 0.005 18.940 19.000 -0.108 0.000 1.033 42 A HN 0.093 nan 8.150 nan 0.000 0.516 43 L N 0.679 121.779 121.223 -0.205 0.000 2.023 43 L HA 0.085 4.429 4.340 0.006 0.000 0.205 43 L C -0.885 175.785 176.870 -0.333 0.000 1.073 43 L CA 2.147 56.820 54.840 -0.278 0.000 0.745 43 L CB -1.006 40.885 42.059 -0.279 0.000 0.900 43 L HN 0.118 nan 8.230 nan 0.000 0.435 44 P HA -0.175 nan 4.420 nan 0.000 0.218 44 P C 1.549 178.743 177.300 -0.177 0.000 1.154 44 P CA 2.013 64.925 63.100 -0.314 0.000 0.872 44 P CB -0.395 31.220 31.700 -0.141 0.000 0.790 45 G N -0.785 107.926 108.800 -0.148 0.000 2.404 45 G HA2 -0.262 3.702 3.960 0.006 0.000 0.215 45 G HA3 -0.262 3.702 3.960 0.006 0.000 0.215 45 G C 1.798 176.612 174.900 -0.144 0.000 1.174 45 G CA 0.773 45.810 45.100 -0.105 0.000 0.780 45 G HN 0.167 nan 8.290 nan 0.000 0.537 46 R N 0.117 120.468 120.500 -0.248 0.000 2.092 46 R HA 0.152 4.495 4.340 0.006 0.000 0.231 46 R C 2.603 178.728 176.300 -0.293 0.000 1.119 46 R CA 0.790 56.662 56.100 -0.380 0.000 0.970 46 R CB -0.524 29.425 30.300 -0.584 0.000 0.864 46 R HN 0.396 nan 8.270 nan 0.000 0.440 47 L N 0.302 121.384 121.223 -0.235 0.000 2.083 47 L HA -0.198 4.146 4.340 0.006 0.000 0.209 47 L C 2.259 179.082 176.870 -0.079 0.000 1.083 47 L CA 1.543 56.292 54.840 -0.152 0.000 0.752 47 L CB -0.479 41.501 42.059 -0.131 0.000 0.899 47 L HN 0.194 nan 8.230 nan 0.000 0.433 48 K N 0.055 120.415 120.400 -0.067 0.000 2.032 48 K HA -0.250 4.074 4.320 0.006 0.000 0.209 48 K C 2.076 178.681 176.600 0.009 0.000 1.048 48 K CA 1.726 58.003 56.287 -0.017 0.000 0.927 48 K CB -0.118 32.375 32.500 -0.012 0.000 0.712 48 K HN 0.129 nan 8.250 nan 0.000 0.441 49 E N 1.030 121.229 120.200 -0.002 0.000 2.110 49 E HA -0.137 4.216 4.350 0.006 0.000 0.193 49 E C 1.815 178.507 176.600 0.154 0.000 0.988 49 E CA 0.933 57.383 56.400 0.083 0.000 0.804 49 E CB -0.061 29.696 29.700 0.095 0.000 0.745 49 E HN 0.000 nan 8.360 nan 0.000 0.458 50 V N 0.705 120.639 119.914 0.035 0.000 2.332 50 V HA -0.267 3.857 4.120 0.006 0.000 0.248 50 V C 2.385 178.575 176.094 0.161 0.000 1.055 50 V CA 2.203 64.563 62.300 0.100 0.000 1.038 50 V CB -0.486 31.287 31.823 -0.084 0.000 0.651 50 V HN 0.254 nan 8.190 nan 0.000 0.450 51 R N -0.570 119.982 120.500 0.086 0.000 2.127 51 R HA -0.108 4.235 4.340 0.006 0.000 0.238 51 R C 2.427 178.772 176.300 0.074 0.000 1.134 51 R CA 1.236 57.381 56.100 0.076 0.000 0.975 51 R CB -0.219 30.111 30.300 0.049 0.000 0.865 51 R HN 0.370 nan 8.270 nan 0.000 0.447 52 R N -1.317 119.233 120.500 0.084 0.000 2.280 52 R HA 0.135 4.479 4.340 0.006 0.000 0.195 52 R C 0.597 176.913 176.300 0.028 0.000 0.935 52 R CA 0.860 56.992 56.100 0.055 0.000 1.033 52 R CB 0.982 31.315 30.300 0.056 0.000 0.964 52 R HN 0.171 nan 8.270 nan 0.000 0.489 53 A N -0.803 122.051 122.820 0.056 0.000 2.584 53 A HA 0.244 4.567 4.320 0.006 0.000 0.220 53 A C -0.626 176.717 177.584 -0.402 0.000 1.182 53 A CA -0.446 51.511 52.037 -0.134 0.000 1.043 53 A CB 0.439 19.343 19.000 -0.161 0.000 1.164 53 A HN 0.052 nan 8.150 nan 0.000 0.506 54 F N -0.125 119.770 119.950 -0.092 0.000 2.482 54 F HA 0.593 5.123 4.527 0.006 0.000 0.331 54 F C 1.176 176.854 175.800 -0.204 0.000 1.115 54 F CA -0.915 56.982 58.000 -0.173 0.000 0.955 54 F CB 1.920 40.839 39.000 -0.135 0.000 1.136 54 F HN 0.089 nan 8.300 nan 0.000 0.452 55 R N 1.785 122.154 120.500 -0.218 0.000 2.115 55 R HA 0.261 4.604 4.340 0.006 0.000 0.230 55 R C 0.253 176.476 176.300 -0.128 0.000 1.111 55 R CA 1.160 57.145 56.100 -0.192 0.000 0.976 55 R CB -0.297 29.779 30.300 -0.374 0.000 0.870 55 R HN 0.855 nan 8.270 nan 0.000 0.445 56 G N -1.843 106.812 108.800 -0.242 0.000 2.466 56 G HA2 0.449 4.413 3.960 0.006 0.000 0.291 56 G HA3 0.449 4.413 3.960 0.006 0.000 0.291 56 G C -1.726 172.920 174.900 -0.424 0.000 1.460 56 G CA -0.270 44.569 45.100 -0.436 0.000 0.791 56 G HN 0.528 nan 8.290 nan 0.000 0.505 57 V N -2.232 117.636 119.914 -0.077 0.000 3.087 57 V HA 0.739 4.862 4.120 0.006 0.000 0.306 57 V C -0.651 175.661 176.094 0.363 0.000 1.187 57 V CA -1.530 60.765 62.300 -0.009 0.000 0.999 57 V CB 1.613 33.351 31.823 -0.141 0.000 1.049 57 V HN 0.782 nan 8.190 nan 0.000 0.431 58 N N 1.820 120.721 118.700 0.336 0.000 2.498 58 N HA 0.689 5.432 4.740 0.006 0.000 0.287 58 N C -0.970 174.648 175.510 0.181 0.000 1.097 58 N CA -0.612 52.642 53.050 0.341 0.000 0.973 58 N CB 1.434 40.171 38.487 0.417 0.000 1.153 58 N HN 0.663 nan 8.380 nan 0.000 0.472 59 L N 1.207 122.523 121.223 0.156 0.000 2.317 59 L HA 0.499 4.842 4.340 0.006 0.000 0.281 59 L C 0.405 177.332 176.870 0.095 0.000 1.024 59 L CA -0.298 54.595 54.840 0.088 0.000 0.810 59 L CB 1.782 43.881 42.059 0.068 0.000 1.240 59 L HN 0.551 nan 8.230 nan 0.000 0.427 60 T N 1.943 116.541 114.554 0.074 0.000 2.742 60 T HA 0.421 4.775 4.350 0.006 0.000 0.282 60 T C -0.825 173.906 174.700 0.051 0.000 1.025 60 T CA -0.656 61.490 62.100 0.078 0.000 1.020 60 T CB 1.285 70.214 68.868 0.101 0.000 1.317 60 T HN 0.335 nan 8.240 nan 0.000 0.538 61 L N 3.850 125.102 121.223 0.048 0.000 2.615 61 L HA 0.267 4.611 4.340 0.006 0.000 0.284 61 L C -1.908 174.987 176.870 0.043 0.000 1.237 61 L CA -0.195 54.666 54.840 0.035 0.000 0.905 61 L CB 0.409 42.484 42.059 0.027 0.000 1.149 61 L HN 0.422 nan 8.230 nan 0.000 0.499 62 P HA 0.180 nan 4.420 nan 0.000 0.253 62 P C 0.333 177.636 177.300 0.006 0.000 1.872 62 P CA -0.037 63.076 63.100 0.021 0.000 1.148 62 P CB 0.194 31.908 31.700 0.023 0.000 1.753 63 L N -0.771 120.453 121.223 0.002 0.000 2.463 63 L HA 0.159 4.503 4.340 0.006 0.000 0.219 63 L C 2.270 179.137 176.870 -0.005 0.000 1.088 63 L CA 0.266 55.095 54.840 -0.018 0.000 0.849 63 L CB -0.540 41.494 42.059 -0.041 0.000 1.012 63 L HN -0.045 nan 8.230 nan 0.000 0.468 64 K N 0.980 121.386 120.400 0.011 0.000 2.107 64 K HA -0.224 4.100 4.320 0.006 0.000 0.211 64 K C 1.770 178.375 176.600 0.008 0.000 1.049 64 K CA 1.833 58.131 56.287 0.018 0.000 0.927 64 K CB -0.102 32.413 32.500 0.025 0.000 0.714 64 K HN 0.484 nan 8.250 nan 0.000 0.452 65 E N -0.111 120.090 120.200 0.001 0.000 2.190 65 E HA -0.026 4.327 4.350 0.006 0.000 0.191 65 E C 1.917 178.518 176.600 0.002 0.000 0.978 65 E CA 0.675 57.072 56.400 -0.005 0.000 0.839 65 E CB 0.058 29.752 29.700 -0.010 0.000 0.787 65 E HN 0.279 nan 8.360 nan 0.000 0.473 66 A N 1.611 124.438 122.820 0.012 0.000 2.123 66 A HA 0.231 4.555 4.320 0.006 0.000 0.214 66 A C 2.329 179.973 177.584 0.100 0.000 1.152 66 A CA 0.941 53.003 52.037 0.041 0.000 0.728 66 A CB -0.224 18.792 19.000 0.027 0.000 0.814 66 A HN 0.226 nan 8.150 nan 0.000 0.464 67 A N -0.300 122.552 122.820 0.054 0.000 2.067 67 A HA 0.068 4.392 4.320 0.006 0.000 0.219 67 A C 1.866 179.505 177.584 0.092 0.000 1.158 67 A CA 1.276 53.356 52.037 0.072 0.000 0.661 67 A CB -0.433 18.578 19.000 0.019 0.000 0.801 67 A HN 0.383 nan 8.150 nan 0.000 0.452 68 L N -0.300 120.940 121.223 0.029 0.000 2.012 68 L HA -0.162 4.182 4.340 0.006 0.000 0.210 68 L C 2.659 179.495 176.870 -0.055 0.000 1.073 68 L CA 1.937 56.759 54.840 -0.030 0.000 0.748 68 L CB -0.750 41.271 42.059 -0.064 0.000 0.891 68 L HN 0.358 nan 8.230 nan 0.000 0.431 69 A N -2.379 120.396 122.820 -0.075 0.000 2.250 69 A HA -0.078 4.246 4.320 0.006 0.000 0.208 69 A C 0.973 178.313 177.584 -0.406 0.000 1.254 69 A CA 0.717 52.628 52.037 -0.211 0.000 0.858 69 A CB -1.060 17.800 19.000 -0.232 0.000 0.820 69 A HN 0.632 nan 8.150 nan 0.000 0.484 70 H N -1.868 117.164 119.070 -0.063 0.000 3.052 70 H HA 0.440 5.000 4.556 0.006 0.000 0.257 70 H C -0.467 174.821 175.328 -0.066 0.000 1.193 70 H CA -0.247 55.765 56.048 -0.060 0.000 1.072 70 H CB 0.523 30.251 29.762 -0.056 0.000 1.685 70 H HN 0.330 nan 8.280 nan 0.000 0.630 71 L N 0.068 121.287 121.223 -0.006 0.000 2.341 71 L HA 0.298 4.642 4.340 0.006 0.000 0.267 71 L C 0.414 177.217 176.870 -0.112 0.000 1.009 71 L CA -0.780 54.030 54.840 -0.050 0.000 0.819 71 L CB 2.184 44.221 42.059 -0.037 0.000 1.323 71 L HN 0.120 nan 8.230 nan 0.000 0.425 72 D N 0.271 120.551 120.400 -0.200 0.000 2.269 72 D HA -0.055 4.589 4.640 0.006 0.000 0.208 72 D C -0.398 175.828 176.300 -0.123 0.000 0.963 72 D CA 1.338 55.208 54.000 -0.217 0.000 0.864 72 D CB 0.496 41.080 40.800 -0.360 0.000 0.936 72 D HN 0.418 nan 8.370 nan 0.000 0.505 73 W N 0.172 121.231 121.300 -0.401 0.000 3.363 73 W HA 0.347 5.012 4.660 0.008 0.000 0.306 73 W C -2.023 174.378 176.519 -0.198 0.000 1.253 73 W CA -0.578 56.626 57.345 -0.236 0.000 1.195 73 W CB 1.173 30.562 29.460 -0.119 0.000 1.366 73 W HN -0.466 nan 8.180 nan 0.000 0.551 74 V N 4.409 123.866 119.914 -0.763 0.000 2.686 74 V HA 0.383 4.507 4.120 0.006 0.000 0.306 74 V C 0.206 175.430 176.094 -1.450 0.000 1.065 74 V CA -0.881 60.948 62.300 -0.786 0.000 0.894 74 V CB 1.487 33.040 31.823 -0.449 0.000 1.004 74 V HN 0.615 nan 8.190 nan 0.000 0.424 75 S N 4.620 119.558 115.700 -1.270 0.000 2.573 75 S HA 0.205 4.679 4.470 0.006 0.000 0.277 75 S C -1.694 172.590 174.600 -0.526 0.000 1.346 75 S CA -0.403 57.222 58.200 -0.959 0.000 1.034 75 S CB 0.867 63.918 63.200 -0.248 0.000 0.879 75 S HN 0.559 nan 8.310 nan 0.000 0.528 76 P HA -0.099 nan 4.420 nan 0.000 0.215 76 P C 1.073 178.277 177.300 -0.160 0.000 1.153 76 P CA 1.415 64.412 63.100 -0.172 0.000 0.853 76 P CB 0.007 31.685 31.700 -0.036 0.000 0.788 77 E N -0.297 119.816 120.200 -0.146 0.000 2.047 77 E HA -0.107 4.247 4.350 0.006 0.000 0.191 77 E C 2.175 178.498 176.600 -0.463 0.000 0.987 77 E CA 1.437 57.626 56.400 -0.351 0.000 0.799 77 E CB -1.260 28.304 29.700 -0.226 0.000 0.752 77 E HN 0.107 nan 8.360 nan 0.000 0.449 78 A N 0.817 123.466 122.820 -0.286 0.000 1.940 78 A HA -0.308 4.015 4.320 0.006 0.000 0.219 78 A C 2.130 179.579 177.584 -0.226 0.000 1.176 78 A CA 1.815 53.712 52.037 -0.232 0.000 0.631 78 A CB -0.537 18.357 19.000 -0.178 0.000 0.814 78 A HN 0.216 nan 8.150 nan 0.000 0.446 79 Q N -1.333 118.320 119.800 -0.245 0.000 2.046 79 Q HA -0.124 4.220 4.340 0.006 0.000 0.200 79 Q C 2.452 178.372 176.000 -0.133 0.000 0.975 79 Q CA 1.007 56.697 55.803 -0.189 0.000 0.836 79 Q CB -0.091 28.522 28.738 -0.208 0.000 0.896 79 Q HN 0.390 nan 8.270 nan 0.000 0.428 80 R N 0.481 120.884 120.500 -0.161 0.000 2.073 80 R HA -0.082 4.261 4.340 0.006 0.000 0.234 80 R C 2.089 178.388 176.300 -0.003 0.000 1.134 80 R CA 1.224 57.274 56.100 -0.083 0.000 0.952 80 R CB -0.652 29.584 30.300 -0.107 0.000 0.850 80 R HN 0.358 nan 8.270 nan 0.000 0.433 81 I N -0.516 119.944 120.570 -0.184 0.000 2.493 81 I HA -0.119 4.054 4.170 0.006 0.000 0.254 81 I C 1.330 177.454 176.117 0.013 0.000 1.160 81 I CA 1.211 62.492 61.300 -0.032 0.000 1.445 81 I CB -0.240 37.628 38.000 -0.220 0.000 1.086 81 I HN 0.401 nan 8.210 nan 0.000 0.433 82 G N 1.137 109.910 108.800 -0.046 0.000 2.143 82 G HA2 -0.142 3.822 3.960 0.006 0.000 0.248 82 G HA3 -0.142 3.822 3.960 0.006 0.000 0.248 82 G C 0.134 175.010 174.900 -0.040 0.000 0.991 82 G CA 0.082 45.161 45.100 -0.036 0.000 0.689 82 G HN 0.743 nan 8.290 nan 0.000 0.522 83 A N -1.157 121.632 122.820 -0.051 0.000 2.488 83 A HA 0.812 5.136 4.320 0.006 0.000 0.298 83 A C -0.703 176.867 177.584 -0.023 0.000 1.044 83 A CA -0.164 51.856 52.037 -0.028 0.000 0.693 83 A CB 2.200 21.193 19.000 -0.011 0.000 1.272 83 A HN 1.256 nan 8.150 nan 0.000 0.402 84 V N 3.234 123.150 119.914 0.003 0.000 2.459 84 V HA 0.378 4.502 4.120 0.006 0.000 0.295 84 V C 0.429 176.570 176.094 0.077 0.000 1.029 84 V CA -0.212 62.111 62.300 0.040 0.000 0.874 84 V CB 1.687 33.534 31.823 0.040 0.000 0.985 84 V HN 1.033 nan 8.190 nan 0.000 0.438 85 N N 1.859 120.627 118.700 0.113 0.000 2.171 85 N HA 0.083 4.827 4.740 0.006 0.000 0.212 85 N C -0.035 175.586 175.510 0.185 0.000 1.184 85 N CA -0.162 52.967 53.050 0.131 0.000 0.888 85 N CB 1.334 39.892 38.487 0.118 0.000 1.038 85 N HN 0.524 nan 8.380 nan 0.000 0.517 86 T N 0.712 115.403 114.554 0.228 0.000 2.991 86 T HA 0.470 4.824 4.350 0.006 0.000 0.303 86 T C -1.195 173.771 174.700 0.444 0.000 1.015 86 T CA -0.453 61.832 62.100 0.309 0.000 1.007 86 T CB 2.426 71.377 68.868 0.138 0.000 1.034 86 T HN -0.121 nan 8.240 nan 0.000 0.446 87 V N 4.021 124.252 119.914 0.528 0.000 2.540 87 V HA 0.654 4.778 4.120 0.006 0.000 0.302 87 V C -0.691 175.797 176.094 0.657 0.000 1.035 87 V CA -0.908 61.697 62.300 0.508 0.000 0.873 87 V CB 1.838 33.835 31.823 0.291 0.000 0.992 87 V HN 0.738 nan 8.190 nan 0.000 0.428 88 L N 3.973 125.592 121.223 0.660 0.000 2.329 88 L HA 0.658 5.002 4.340 0.006 0.000 0.279 88 L C -0.498 176.648 176.870 0.459 0.000 1.014 88 L CA 0.126 55.322 54.840 0.593 0.000 0.814 88 L CB 1.708 44.119 42.059 0.586 0.000 1.257 88 L HN 0.720 nan 8.230 nan 0.000 0.424 89 Q N 4.799 124.778 119.800 0.300 0.000 2.333 89 Q HA 0.629 4.973 4.340 0.006 0.000 0.268 89 Q C -1.870 174.247 176.000 0.195 0.000 1.007 89 Q CA -0.623 55.328 55.803 0.245 0.000 0.810 89 Q CB 1.789 30.618 28.738 0.152 0.000 1.264 89 Q HN 0.668 nan 8.270 nan 0.000 0.452 90 V N 0.782 120.838 119.914 0.236 0.000 2.668 90 V HA 0.478 4.602 4.120 0.006 0.000 0.304 90 V C -0.065 176.125 176.094 0.159 0.000 1.071 90 V CA -0.681 61.710 62.300 0.152 0.000 0.894 90 V CB 1.618 33.496 31.823 0.092 0.000 1.008 90 V HN 0.978 nan 8.190 nan 0.000 0.425 91 E N 2.889 123.144 120.200 0.092 0.000 2.539 91 E HA -0.279 4.075 4.350 0.006 0.000 0.253 91 E C 1.314 177.963 176.600 0.082 0.000 1.145 91 E CA 0.944 57.389 56.400 0.076 0.000 0.738 91 E CB -1.313 28.434 29.700 0.078 0.000 1.308 91 E HN 2.138 nan 8.360 nan 0.000 0.409 92 G N -0.272 108.579 108.800 0.085 0.000 2.184 92 G HA2 -0.357 3.607 3.960 0.006 0.000 0.264 92 G HA3 -0.357 3.607 3.960 0.006 0.000 0.264 92 G C 0.195 175.141 174.900 0.075 0.000 0.975 92 G CA 0.651 45.794 45.100 0.072 0.000 0.642 92 G HN 0.146 nan 8.290 nan 0.000 0.536 93 R N -0.242 120.331 120.500 0.120 0.000 2.486 93 R HA 0.698 5.042 4.340 0.006 0.000 0.286 93 R C 0.228 176.573 176.300 0.076 0.000 0.999 93 R CA -0.686 55.448 56.100 0.058 0.000 0.993 93 R CB 0.921 31.284 30.300 0.106 0.000 1.084 93 R HN 0.282 nan 8.270 nan 0.000 0.487 94 L N 3.312 124.459 121.223 -0.128 0.000 2.313 94 L HA 0.512 4.856 4.340 0.006 0.000 0.283 94 L C -0.706 176.035 176.870 -0.216 0.000 1.013 94 L CA -0.547 54.286 54.840 -0.011 0.000 0.816 94 L CB 0.888 42.960 42.059 0.023 0.000 1.236 94 L HN 0.380 nan 8.230 nan 0.000 0.419 95 F N 0.815 120.894 119.950 0.215 0.000 2.467 95 F HA 0.594 5.124 4.527 0.005 0.000 0.336 95 F C 0.825 176.735 175.800 0.183 0.000 1.123 95 F CA -0.725 57.418 58.000 0.238 0.000 0.964 95 F CB 2.015 41.172 39.000 0.261 0.000 1.136 95 F HN 0.400 nan 8.300 nan 0.000 0.447 96 G N 2.794 111.664 108.800 0.117 0.000 2.356 96 G HA2 0.659 4.622 3.960 0.006 0.000 0.322 96 G HA3 0.659 4.622 3.960 0.006 0.000 0.322 96 G C -1.458 173.306 174.900 -0.226 0.000 1.125 96 G CA -0.250 44.876 45.100 0.043 0.000 0.885 96 G HN 0.412 nan 8.290 nan 0.000 0.467 97 F N 0.099 120.160 119.950 0.185 0.000 2.664 97 F HA 0.521 5.052 4.527 0.006 0.000 0.329 97 F C 0.029 175.863 175.800 0.057 0.000 1.090 97 F CA -1.296 56.783 58.000 0.132 0.000 0.978 97 F CB 2.356 41.449 39.000 0.155 0.000 1.378 97 F HN 0.335 nan 8.300 nan 0.000 0.495 98 N N 0.099 118.937 118.700 0.231 0.000 2.531 98 N HA 0.166 4.909 4.740 0.006 0.000 0.268 98 N C -0.104 175.478 175.510 0.120 0.000 1.023 98 N CA -0.046 53.072 53.050 0.115 0.000 0.896 98 N CB 1.654 40.141 38.487 0.000 0.000 1.233 98 N HN 0.780 nan 8.380 nan 0.000 0.512 99 T N -0.762 113.857 114.554 0.109 0.000 3.086 99 T HA 0.122 4.476 4.350 0.006 0.000 0.250 99 T C 0.747 175.520 174.700 0.121 0.000 1.074 99 T CA 0.188 62.345 62.100 0.095 0.000 0.988 99 T CB 0.334 69.225 68.868 0.039 0.000 0.988 99 T HN 0.225 nan 8.240 nan 0.000 0.530 100 D N 2.099 122.569 120.400 0.117 0.000 2.097 100 D HA 0.046 4.690 4.640 0.006 0.000 0.197 100 D C 2.405 178.806 176.300 0.168 0.000 0.984 100 D CA 1.404 55.486 54.000 0.136 0.000 0.826 100 D CB -0.368 40.493 40.800 0.103 0.000 0.973 100 D HN 0.541 nan 8.370 nan 0.000 0.460 101 A N 2.101 125.011 122.820 0.149 0.000 1.841 101 A HA -0.133 4.190 4.320 0.006 0.000 0.216 101 A C -0.160 177.564 177.584 0.234 0.000 1.199 101 A CA 1.981 54.145 52.037 0.211 0.000 0.621 101 A CB -1.713 17.441 19.000 0.257 0.000 0.835 101 A HN 0.221 nan 8.150 nan 0.000 0.445 102 P HA -0.085 nan 4.420 nan 0.000 0.221 102 P C 1.671 179.030 177.300 0.098 0.000 1.150 102 P CA 1.749 64.930 63.100 0.134 0.000 0.800 102 P CB -0.450 31.322 31.700 0.120 0.000 0.787 103 G N -0.190 108.702 108.800 0.153 0.000 2.402 103 G HA2 -0.279 3.685 3.960 0.006 0.000 0.216 103 G HA3 -0.279 3.685 3.960 0.006 0.000 0.216 103 G C 1.393 176.355 174.900 0.103 0.000 1.162 103 G CA 0.309 45.514 45.100 0.176 0.000 0.777 103 G HN 0.190 nan 8.290 nan 0.000 0.539 104 F N 1.322 121.284 119.950 0.019 0.000 2.126 104 F HA -0.024 4.507 4.527 0.006 0.000 0.299 104 F C 2.402 178.151 175.800 -0.085 0.000 1.096 104 F CA 1.284 59.281 58.000 -0.006 0.000 1.255 104 F CB -0.177 38.844 39.000 0.035 0.000 0.997 104 F HN 0.048 nan 8.300 nan 0.000 0.479 105 L N -0.089 121.101 121.223 -0.054 0.000 2.056 105 L HA -0.168 4.176 4.340 0.006 0.000 0.207 105 L C 2.503 179.133 176.870 -0.398 0.000 1.078 105 L CA 1.241 55.957 54.840 -0.207 0.000 0.749 105 L CB -0.785 41.246 42.059 -0.046 0.000 0.901 105 L HN 0.127 nan 8.230 nan 0.000 0.433 106 E N 0.339 120.232 120.200 -0.512 0.000 2.106 106 E HA -0.177 4.177 4.350 0.006 0.000 0.192 106 E C 2.288 178.181 176.600 -1.178 0.000 0.984 106 E CA 1.279 57.087 56.400 -0.986 0.000 0.806 106 E CB -0.088 28.720 29.700 -1.488 0.000 0.750 106 E HN 0.468 nan 8.360 nan 0.000 0.458 107 A N 1.405 123.689 122.820 -0.893 0.000 1.902 107 A HA -0.131 4.192 4.320 0.006 0.000 0.217 107 A C 2.367 179.712 177.584 -0.398 0.000 1.181 107 A CA 0.961 52.681 52.037 -0.530 0.000 0.623 107 A CB -0.679 18.191 19.000 -0.217 0.000 0.818 107 A HN 0.143 nan 8.150 nan 0.000 0.443 108 L N -0.731 120.196 121.223 -0.493 0.000 2.017 108 L HA -0.218 4.126 4.340 0.006 0.000 0.208 108 L C 2.665 179.374 176.870 -0.269 0.000 1.073 108 L CA 2.056 56.662 54.840 -0.390 0.000 0.745 108 L CB -0.469 41.308 42.059 -0.470 0.000 0.894 108 L HN 0.465 nan 8.230 nan 0.000 0.432 109 K N 0.272 120.490 120.400 -0.302 0.000 2.002 109 K HA -0.197 4.126 4.320 0.006 0.000 0.209 109 K C 2.166 178.664 176.600 -0.170 0.000 1.048 109 K CA 1.485 57.639 56.287 -0.222 0.000 0.930 109 K CB -0.164 32.185 32.500 -0.250 0.000 0.714 109 K HN 0.250 nan 8.250 nan 0.000 0.438 110 A N 0.515 123.211 122.820 -0.208 0.000 1.940 110 A HA -0.092 4.232 4.320 0.006 0.000 0.219 110 A C 2.204 179.779 177.584 -0.015 0.000 1.176 110 A CA 1.904 53.913 52.037 -0.048 0.000 0.631 110 A CB -1.027 18.037 19.000 0.107 0.000 0.814 110 A HN 0.559 nan 8.150 nan 0.000 0.446 111 G N -1.925 106.843 108.800 -0.054 0.000 2.920 111 G HA2 0.353 4.317 3.960 0.006 0.000 0.208 111 G HA3 0.353 4.317 3.960 0.006 0.000 0.208 111 G C 1.142 176.024 174.900 -0.031 0.000 1.159 111 G CA 0.524 45.608 45.100 -0.026 0.000 0.784 111 G HN 1.654 nan 8.290 nan 0.000 0.535 112 G N 0.060 108.830 108.800 -0.049 0.000 2.176 112 G HA2 -0.257 3.707 3.960 0.006 0.000 0.252 112 G HA3 -0.257 3.707 3.960 0.006 0.000 0.252 112 G C 0.262 175.137 174.900 -0.043 0.000 1.024 112 G CA 0.021 45.097 45.100 -0.039 0.000 0.755 112 G HN 0.361 nan 8.290 nan 0.000 0.507 113 I N 2.302 122.832 120.570 -0.067 0.000 2.312 113 I HA 0.219 4.393 4.170 0.006 0.000 0.291 113 I C -1.341 174.735 176.117 -0.068 0.000 1.031 113 I CA -2.028 59.236 61.300 -0.060 0.000 1.293 113 I CB 0.781 38.734 38.000 -0.079 0.000 1.403 113 I HN 0.015 nan 8.210 nan 0.000 0.484 114 P HA 0.100 nan 4.420 nan 0.000 0.271 114 P C -0.433 176.838 177.300 -0.048 0.000 1.216 114 P CA -0.319 62.753 63.100 -0.046 0.000 0.776 114 P CB 1.133 32.813 31.700 -0.032 0.000 0.881 115 L N 3.234 124.425 121.223 -0.052 0.000 2.395 115 L HA 0.210 4.554 4.340 0.006 0.000 0.268 115 L C 1.035 177.880 176.870 -0.041 0.000 1.223 115 L CA 0.204 55.017 54.840 -0.045 0.000 1.093 115 L CB -0.514 41.517 42.059 -0.048 0.000 1.349 115 L HN 0.372 nan 8.230 nan 0.000 0.427 116 K N 1.677 122.053 120.400 -0.041 0.000 2.463 116 K HA 0.574 4.898 4.320 0.006 0.000 0.255 116 K C -0.025 176.533 176.600 -0.071 0.000 0.942 116 K CA -0.501 55.756 56.287 -0.049 0.000 0.814 116 K CB 1.880 34.356 32.500 -0.040 0.000 1.122 116 K HN 0.411 nan 8.250 nan 0.000 0.425 117 G N 3.129 111.869 108.800 -0.100 0.000 2.568 117 G HA2 0.475 4.439 3.960 0.006 0.000 0.293 117 G HA3 0.475 4.439 3.960 0.006 0.000 0.293 117 G C -2.601 172.173 174.900 -0.210 0.000 1.347 117 G CA -1.444 43.552 45.100 -0.174 0.000 1.039 117 G HN 0.411 nan 8.290 nan 0.000 0.523 118 P HA 0.375 nan 4.420 nan 0.000 0.268 118 P C -0.589 176.381 177.300 -0.551 0.000 1.205 118 P CA 0.073 62.764 63.100 -0.681 0.000 0.771 118 P CB 1.131 31.959 31.700 -1.453 0.000 0.858 119 A N 3.289 125.850 122.820 -0.431 0.000 2.276 119 A HA 0.549 4.872 4.320 0.006 0.000 0.316 119 A C -0.960 176.533 177.584 -0.152 0.000 1.229 119 A CA -0.507 51.410 52.037 -0.201 0.000 0.851 119 A CB 0.111 19.068 19.000 -0.072 0.000 1.165 119 A HN 0.543 nan 8.150 nan 0.000 0.513 120 L N 4.104 125.314 121.223 -0.022 0.000 2.287 120 L HA 0.599 4.943 4.340 0.006 0.000 0.287 120 L C -0.806 176.135 176.870 0.119 0.000 1.022 120 L CA -0.186 54.729 54.840 0.125 0.000 0.814 120 L CB 1.492 43.667 42.059 0.194 0.000 1.217 120 L HN 0.371 nan 8.230 nan 0.000 0.420 121 V N 6.809 126.801 119.914 0.130 0.000 2.350 121 V HA 0.341 4.465 4.120 0.006 0.000 0.276 121 V C 0.199 176.378 176.094 0.142 0.000 1.028 121 V CA -0.536 61.818 62.300 0.089 0.000 0.860 121 V CB 1.206 33.057 31.823 0.047 0.000 0.990 121 V HN 0.585 nan 8.190 nan 0.000 0.453 122 L N 5.254 126.551 121.223 0.123 0.000 2.260 122 L HA 0.761 5.105 4.340 0.006 0.000 0.289 122 L C 0.739 177.721 176.870 0.187 0.000 1.057 122 L CA -0.007 54.984 54.840 0.252 0.000 0.811 122 L CB 0.814 42.934 42.059 0.102 0.000 1.184 122 L HN 0.925 nan 8.230 nan 0.000 0.429 123 G N 2.560 111.472 108.800 0.187 0.000 3.363 123 G HA2 0.116 4.079 3.960 0.006 0.000 0.685 123 G HA3 0.116 4.079 3.960 0.006 0.000 0.685 123 G C -0.215 174.657 174.900 -0.047 0.000 1.199 123 G CA -0.329 44.779 45.100 0.012 0.000 0.946 123 G HN 0.825 nan 8.290 nan 0.000 0.558 124 A N 1.534 124.284 122.820 -0.115 0.000 2.545 124 A HA 0.760 5.084 4.320 0.006 0.000 0.277 124 A C 1.494 179.003 177.584 -0.125 0.000 1.301 124 A CA 1.251 53.210 52.037 -0.130 0.000 0.935 124 A CB -0.124 18.775 19.000 -0.168 0.000 1.093 124 A HN 2.059 nan 8.150 nan 0.000 0.519 125 G N -1.056 107.687 108.800 -0.096 0.000 2.494 125 G HA2 0.403 4.366 3.960 0.006 0.000 0.270 125 G HA3 0.403 4.366 3.960 0.006 0.000 0.270 125 G C 1.165 176.028 174.900 -0.062 0.000 1.423 125 G CA 0.136 45.189 45.100 -0.078 0.000 1.055 125 G HN 0.434 nan 8.290 nan 0.000 0.536 126 G N -0.134 108.641 108.800 -0.043 0.000 2.491 126 G HA2 -0.013 3.951 3.960 0.006 0.000 0.218 126 G HA3 -0.013 3.951 3.960 0.006 0.000 0.218 126 G C 1.976 176.866 174.900 -0.016 0.000 1.180 126 G CA 2.022 47.107 45.100 -0.026 0.000 0.774 126 G HN 0.935 nan 8.290 nan 0.000 0.562 127 A N 0.679 123.489 122.820 -0.018 0.000 1.930 127 A HA 0.217 4.541 4.320 0.006 0.000 0.217 127 A C 2.706 180.263 177.584 -0.044 0.000 1.175 127 A CA 1.969 53.995 52.037 -0.019 0.000 0.627 127 A CB -0.974 18.018 19.000 -0.013 0.000 0.815 127 A HN 0.555 nan 8.150 nan 0.000 0.443 128 G N -0.396 108.376 108.800 -0.048 0.000 2.418 128 G HA2 -0.226 3.737 3.960 0.006 0.000 0.217 128 G HA3 -0.226 3.737 3.960 0.006 0.000 0.217 128 G C 1.767 176.648 174.900 -0.032 0.000 1.158 128 G CA 0.885 45.953 45.100 -0.053 0.000 0.771 128 G HN 0.565 nan 8.290 nan 0.000 0.545 129 R N 0.449 120.934 120.500 -0.025 0.000 2.081 129 R HA 0.034 4.378 4.340 0.006 0.000 0.235 129 R C 3.031 179.450 176.300 0.197 0.000 1.131 129 R CA 1.162 57.283 56.100 0.035 0.000 0.960 129 R CB -0.356 29.939 30.300 -0.008 0.000 0.856 129 R HN 0.353 nan 8.270 nan 0.000 0.436 130 A N 0.609 123.485 122.820 0.093 0.000 1.898 130 A HA -0.103 4.221 4.320 0.006 0.000 0.216 130 A C 2.349 179.986 177.584 0.089 0.000 1.181 130 A CA 1.327 53.423 52.037 0.097 0.000 0.620 130 A CB -0.494 18.526 19.000 0.033 0.000 0.819 130 A HN 0.114 nan 8.150 nan 0.000 0.442 131 V N -0.160 119.706 119.914 -0.080 0.000 2.358 131 V HA -0.215 3.908 4.120 0.006 0.000 0.246 131 V C 3.045 179.082 176.094 -0.095 0.000 1.047 131 V CA 1.856 63.965 62.300 -0.319 0.000 1.035 131 V CB -1.180 30.314 31.823 -0.548 0.000 0.658 131 V HN 0.609 nan 8.190 nan 0.000 0.452 132 A N -0.482 122.369 122.820 0.052 0.000 1.902 132 A HA -0.238 4.086 4.320 0.006 0.000 0.217 132 A C 2.116 179.853 177.584 0.255 0.000 1.181 132 A CA 1.966 54.098 52.037 0.158 0.000 0.623 132 A CB -0.721 18.396 19.000 0.195 0.000 0.818 132 A HN 0.533 nan 8.150 nan 0.000 0.443 133 F N 0.990 121.068 119.950 0.213 0.000 2.095 133 F HA -0.105 4.425 4.527 0.004 0.000 0.298 133 F C 2.504 178.309 175.800 0.010 0.000 1.104 133 F CA 1.370 59.406 58.000 0.059 0.000 1.232 133 F CB -0.355 38.664 39.000 0.033 0.000 0.987 133 F HN 0.253 nan 8.300 nan 0.000 0.475 134 A N 0.616 123.556 122.820 0.199 0.000 1.877 134 A HA -0.132 4.192 4.320 0.006 0.000 0.216 134 A C 2.265 179.872 177.584 0.039 0.000 1.186 134 A CA 1.812 53.929 52.037 0.133 0.000 0.620 134 A CB -1.212 17.938 19.000 0.250 0.000 0.822 134 A HN 0.488 nan 8.150 nan 0.000 0.443 135 L N -1.151 120.109 121.223 0.062 0.000 2.141 135 L HA -0.139 4.205 4.340 0.006 0.000 0.209 135 L C 2.776 179.630 176.870 -0.026 0.000 1.094 135 L CA 1.493 56.364 54.840 0.051 0.000 0.763 135 L CB -0.434 41.666 42.059 0.068 0.000 0.908 135 L HN 0.471 nan 8.230 nan 0.000 0.437 136 R N 0.563 121.020 120.500 -0.073 0.000 2.066 136 R HA -0.215 4.129 4.340 0.006 0.000 0.232 136 R C 2.214 178.402 176.300 -0.186 0.000 1.131 136 R CA 1.725 57.754 56.100 -0.119 0.000 0.955 136 R CB -0.118 30.088 30.300 -0.157 0.000 0.851 136 R HN 0.341 nan 8.270 nan 0.000 0.432 137 E N -0.111 119.912 120.200 -0.296 0.000 2.118 137 E HA -0.181 4.173 4.350 0.006 0.000 0.195 137 E C 1.458 177.976 176.600 -0.137 0.000 0.992 137 E CA 1.238 57.471 56.400 -0.277 0.000 0.804 137 E CB -0.098 29.391 29.700 -0.352 0.000 0.741 137 E HN 0.493 nan 8.360 nan 0.000 0.458 138 A N -0.092 122.674 122.820 -0.090 0.000 2.239 138 A HA 0.130 4.453 4.320 0.006 0.000 0.209 138 A C 1.734 179.286 177.584 -0.053 0.000 1.171 138 A CA 1.082 53.088 52.037 -0.053 0.000 0.768 138 A CB -0.590 18.396 19.000 -0.022 0.000 0.790 138 A HN 0.508 nan 8.150 nan 0.000 0.478 139 G N -1.624 107.137 108.800 -0.064 0.000 2.143 139 G HA2 -0.214 3.750 3.960 0.006 0.000 0.249 139 G HA3 -0.214 3.750 3.960 0.006 0.000 0.249 139 G C 0.104 174.978 174.900 -0.045 0.000 0.981 139 G CA 0.364 45.432 45.100 -0.053 0.000 0.665 139 G HN 0.438 nan 8.290 nan 0.000 0.528 140 L N 0.108 121.303 121.223 -0.046 0.000 2.439 140 L HA 0.476 4.819 4.340 0.006 0.000 0.259 140 L C 1.001 177.835 176.870 -0.060 0.000 1.129 140 L CA -0.716 54.090 54.840 -0.056 0.000 0.803 140 L CB 0.937 42.960 42.059 -0.059 0.000 1.161 140 L HN 0.299 nan 8.230 nan 0.000 0.462 141 E N 1.094 121.238 120.200 -0.093 0.000 2.257 141 E HA 0.265 4.619 4.350 0.006 0.000 0.278 141 E C -1.449 175.046 176.600 -0.175 0.000 1.049 141 E CA -0.461 55.886 56.400 -0.088 0.000 0.876 141 E CB 1.042 30.681 29.700 -0.101 0.000 1.035 141 E HN 0.265 nan 8.360 nan 0.000 0.419 142 V N 5.942 125.831 119.914 -0.042 0.000 2.417 142 V HA 0.336 4.459 4.120 0.006 0.000 0.291 142 V C -0.537 175.681 176.094 0.207 0.000 1.024 142 V CA -0.831 61.464 62.300 -0.008 0.000 0.861 142 V CB 0.801 32.660 31.823 0.061 0.000 0.985 142 V HN 0.646 nan 8.190 nan 0.000 0.436 143 W N 3.192 124.521 121.300 0.049 0.000 2.578 143 W HA 0.810 5.472 4.660 0.003 0.000 0.346 143 W C -0.342 176.213 176.519 0.061 0.000 1.075 143 W CA -1.112 56.263 57.345 0.051 0.000 1.233 143 W CB 1.674 31.164 29.460 0.050 0.000 1.358 143 W HN 0.387 nan 8.180 nan 0.000 0.574 144 V N 2.663 122.753 119.914 0.293 0.000 2.841 144 V HA 0.700 4.824 4.120 0.006 0.000 0.310 144 V C -2.041 174.184 176.094 0.220 0.000 1.090 144 V CA -0.777 61.643 62.300 0.199 0.000 0.930 144 V CB 2.062 33.936 31.823 0.086 0.000 1.014 144 V HN 0.616 nan 8.190 nan 0.000 0.425 145 W N 6.154 127.464 121.300 0.016 0.000 2.950 145 W HA 0.795 5.459 4.660 0.006 0.000 0.340 145 W C -1.180 175.322 176.519 -0.028 0.000 1.139 145 W CA -0.460 56.880 57.345 -0.009 0.000 1.188 145 W CB 1.848 31.307 29.460 -0.001 0.000 1.426 145 W HN 0.709 nan 8.180 nan 0.000 0.531 146 N N 2.184 120.107 118.700 -1.295 0.000 2.367 146 N HA 0.217 4.961 4.740 0.006 0.000 0.278 146 N C 0.568 175.057 175.510 -1.702 0.000 1.117 146 N CA -0.598 51.671 53.050 -1.302 0.000 0.867 146 N CB 1.771 39.913 38.487 -0.575 0.000 1.649 146 N HN 0.588 nan 8.380 nan 0.000 0.479 147 R N 0.706 120.385 120.500 -1.368 0.000 2.103 147 R HA -0.042 4.302 4.340 0.006 0.000 0.242 147 R C -0.320 175.737 176.300 -0.406 0.000 1.142 147 R CA 1.516 57.220 56.100 -0.660 0.000 0.960 147 R CB -0.301 29.847 30.300 -0.253 0.000 0.858 147 R HN 0.593 nan 8.270 nan 0.000 0.439 148 T N 2.243 116.573 114.554 -0.374 0.000 2.762 148 T HA 0.206 4.559 4.350 0.006 0.000 0.303 148 T C -2.111 172.423 174.700 -0.275 0.000 0.977 148 T CA -1.551 60.403 62.100 -0.242 0.000 0.961 148 T CB 1.810 70.571 68.868 -0.178 0.000 0.944 148 T HN 0.117 nan 8.240 nan 0.000 0.481 149 P HA -0.207 nan 4.420 nan 0.000 0.216 149 P C 1.753 178.961 177.300 -0.154 0.000 1.153 149 P CA 0.929 63.913 63.100 -0.192 0.000 0.858 149 P CB 0.230 31.859 31.700 -0.120 0.000 0.789 150 Q N -0.261 119.463 119.800 -0.125 0.000 2.062 150 Q HA -0.285 4.059 4.340 0.006 0.000 0.209 150 Q C 2.427 178.357 176.000 -0.117 0.000 0.996 150 Q CA 1.818 57.559 55.803 -0.103 0.000 0.859 150 Q CB -0.326 28.360 28.738 -0.086 0.000 0.920 150 Q HN 0.056 nan 8.270 nan 0.000 0.415 151 R N -0.628 119.788 120.500 -0.141 0.000 2.105 151 R HA -0.165 4.178 4.340 0.006 0.000 0.239 151 R C 2.142 178.345 176.300 -0.161 0.000 1.135 151 R CA 1.290 57.301 56.100 -0.148 0.000 0.967 151 R CB -0.253 29.950 30.300 -0.162 0.000 0.861 151 R HN 0.375 nan 8.270 nan 0.000 0.442 152 A N 0.532 123.244 122.820 -0.179 0.000 1.897 152 A HA -0.091 4.233 4.320 0.006 0.000 0.215 152 A C 2.110 179.628 177.584 -0.110 0.000 1.181 152 A CA 0.919 52.864 52.037 -0.154 0.000 0.620 152 A CB -0.415 18.477 19.000 -0.180 0.000 0.821 152 A HN 0.291 nan 8.150 nan 0.000 0.443 153 L N -0.659 120.504 121.223 -0.101 0.000 2.046 153 L HA -0.185 4.159 4.340 0.006 0.000 0.208 153 L C 3.092 179.921 176.870 -0.069 0.000 1.077 153 L CA 1.066 55.864 54.840 -0.071 0.000 0.747 153 L CB -0.466 41.554 42.059 -0.065 0.000 0.896 153 L HN 0.436 nan 8.230 nan 0.000 0.432 154 A N -0.163 122.606 122.820 -0.086 0.000 1.877 154 A HA -0.226 4.098 4.320 0.006 0.000 0.216 154 A C 2.191 179.709 177.584 -0.109 0.000 1.186 154 A CA 1.691 53.679 52.037 -0.082 0.000 0.620 154 A CB -0.752 18.195 19.000 -0.088 0.000 0.822 154 A HN 0.312 nan 8.150 nan 0.000 0.443 155 L N -0.125 120.998 121.223 -0.167 0.000 2.046 155 L HA -0.079 4.264 4.340 0.006 0.000 0.208 155 L C 2.652 179.404 176.870 -0.196 0.000 1.077 155 L CA 2.197 56.864 54.840 -0.289 0.000 0.747 155 L CB -0.847 41.011 42.059 -0.335 0.000 0.896 155 L HN 0.354 nan 8.230 nan 0.000 0.432 156 A N -1.021 121.746 122.820 -0.087 0.000 1.940 156 A HA -0.188 4.135 4.320 0.006 0.000 0.219 156 A C 2.204 179.809 177.584 0.035 0.000 1.176 156 A CA 1.727 53.763 52.037 -0.001 0.000 0.631 156 A CB -0.528 18.476 19.000 0.006 0.000 0.814 156 A HN 0.553 nan 8.150 nan 0.000 0.446 157 E N -0.559 119.647 120.200 0.010 0.000 2.047 157 E HA -0.181 4.172 4.350 0.006 0.000 0.191 157 E C 2.038 178.681 176.600 0.072 0.000 0.987 157 E CA 1.185 57.604 56.400 0.031 0.000 0.799 157 E CB -0.307 29.397 29.700 0.007 0.000 0.752 157 E HN 0.811 nan 8.360 nan 0.000 0.449 158 E N -0.399 119.842 120.200 0.068 0.000 2.058 158 E HA -0.167 4.187 4.350 0.006 0.000 0.194 158 E C 1.339 178.178 176.600 0.399 0.000 0.997 158 E CA 0.941 57.440 56.400 0.165 0.000 0.801 158 E CB 0.031 29.779 29.700 0.081 0.000 0.746 158 E HN 0.107 nan 8.360 nan 0.000 0.450 159 F N -0.620 119.350 119.950 0.034 0.000 2.727 159 F HA 0.302 4.831 4.527 0.003 0.000 0.302 159 F C 1.354 177.168 175.800 0.025 0.000 1.097 159 F CA 0.595 58.619 58.000 0.039 0.000 1.330 159 F CB 0.515 39.546 39.000 0.052 0.000 1.084 159 F HN 0.145 nan 8.300 nan 0.000 0.578 160 G N 1.357 110.281 108.800 0.205 0.000 2.225 160 G HA2 -0.266 3.697 3.960 0.006 0.000 0.264 160 G HA3 -0.266 3.697 3.960 0.006 0.000 0.264 160 G C 0.086 175.061 174.900 0.125 0.000 1.060 160 G CA 0.391 45.565 45.100 0.123 0.000 0.833 160 G HN 0.316 nan 8.290 nan 0.000 0.498 161 L N -1.769 119.539 121.223 0.142 0.000 2.558 161 L HA 0.817 5.160 4.340 0.006 0.000 0.260 161 L C 0.898 177.845 176.870 0.128 0.000 1.130 161 L CA -1.416 53.514 54.840 0.150 0.000 1.049 161 L CB 1.097 43.257 42.059 0.169 0.000 1.758 161 L HN 0.165 nan 8.230 nan 0.000 0.555 162 R N 0.314 120.914 120.500 0.167 0.000 2.502 162 R HA 0.638 4.982 4.340 0.006 0.000 0.300 162 R C -1.270 175.066 176.300 0.060 0.000 0.984 162 R CA -0.486 55.670 56.100 0.093 0.000 0.882 162 R CB 1.788 32.135 30.300 0.079 0.000 1.180 162 R HN 0.698 nan 8.270 nan 0.000 0.444 163 A N 4.191 127.013 122.820 0.004 0.000 2.366 163 A HA 0.508 4.831 4.320 0.006 0.000 0.272 163 A C -0.086 177.473 177.584 -0.042 0.000 1.135 163 A CA -0.403 51.634 52.037 -0.000 0.000 0.804 163 A CB 0.625 19.609 19.000 -0.027 0.000 1.064 163 A HN 0.619 nan 8.150 nan 0.000 0.499 164 V N 0.033 119.949 119.914 0.004 0.000 3.141 164 V HA 0.874 4.998 4.120 0.006 0.000 0.312 164 V C -2.877 173.279 176.094 0.103 0.000 1.157 164 V CA -2.285 59.980 62.300 -0.057 0.000 1.041 164 V CB 1.851 33.534 31.823 -0.233 0.000 1.071 164 V HN 0.736 nan 8.190 nan 0.000 0.441 165 P HA 0.418 nan 4.420 nan 0.000 0.281 165 P C 0.936 178.249 177.300 0.022 0.000 1.264 165 P CA -0.572 62.603 63.100 0.124 0.000 0.824 165 P CB 1.697 33.418 31.700 0.035 0.000 1.092 166 L N 0.451 121.607 121.223 -0.111 0.000 2.129 166 L HA -0.235 4.108 4.340 0.006 0.000 0.212 166 L C 2.079 178.826 176.870 -0.205 0.000 1.087 166 L CA 1.793 56.397 54.840 -0.393 0.000 0.757 166 L CB -0.526 41.217 42.059 -0.527 0.000 0.896 166 L HN 0.384 nan 8.230 nan 0.000 0.434 167 E N -0.255 119.879 120.200 -0.110 0.000 2.160 167 E HA -0.203 4.151 4.350 0.006 0.000 0.195 167 E C 1.875 178.448 176.600 -0.045 0.000 0.991 167 E CA 0.784 57.142 56.400 -0.070 0.000 0.810 167 E CB -0.104 29.569 29.700 -0.044 0.000 0.742 167 E HN 0.145 nan 8.360 nan 0.000 0.466 168 K N 0.218 120.588 120.400 -0.050 0.000 2.574 168 K HA 0.080 4.403 4.320 0.006 0.000 0.193 168 K C 1.683 178.377 176.600 0.158 0.000 1.035 168 K CA 0.707 56.992 56.287 -0.003 0.000 0.982 168 K CB -0.168 32.209 32.500 -0.206 0.000 0.795 168 K HN 0.163 nan 8.250 nan 0.000 0.491 169 A N 1.225 124.074 122.820 0.048 0.000 2.024 169 A HA -0.176 4.148 4.320 0.006 0.000 0.220 169 A C 2.095 179.708 177.584 0.048 0.000 1.164 169 A CA 1.116 53.167 52.037 0.024 0.000 0.643 169 A CB -0.295 18.613 19.000 -0.153 0.000 0.806 169 A HN 0.275 nan 8.150 nan 0.000 0.451 170 R N -0.381 120.149 120.500 0.049 0.000 2.193 170 R HA -0.098 4.246 4.340 0.006 0.000 0.229 170 R C 1.156 177.516 176.300 0.099 0.000 1.110 170 R CA 1.444 57.581 56.100 0.062 0.000 0.988 170 R CB -0.142 30.186 30.300 0.047 0.000 0.871 170 R HN 0.674 nan 8.270 nan 0.000 0.458 171 E N -0.098 120.208 120.200 0.176 0.000 2.481 171 E HA 0.160 4.514 4.350 0.006 0.000 0.198 171 E C -0.207 176.493 176.600 0.167 0.000 1.027 171 E CA -0.340 56.193 56.400 0.221 0.000 0.900 171 E CB 0.858 30.762 29.700 0.340 0.000 0.993 171 E HN 0.200 nan 8.360 nan 0.000 0.482 172 A N 1.068 123.961 122.820 0.122 0.000 2.302 172 A HA 0.348 4.672 4.320 0.006 0.000 0.285 172 A C 0.876 178.428 177.584 -0.052 0.000 1.105 172 A CA -0.411 51.582 52.037 -0.073 0.000 0.816 172 A CB 0.628 19.626 19.000 -0.003 0.000 1.067 172 A HN 0.007 nan 8.150 nan 0.000 0.489 173 R N -0.335 120.105 120.500 -0.100 0.000 2.373 173 R HA 0.202 4.545 4.340 0.006 0.000 0.221 173 R C -0.936 175.352 176.300 -0.020 0.000 0.893 173 R CA 0.157 56.229 56.100 -0.047 0.000 1.049 173 R CB -0.004 30.260 30.300 -0.061 0.000 1.119 173 R HN 0.539 nan 8.270 nan 0.000 0.535 174 L N 1.020 122.228 121.223 -0.026 0.000 2.404 174 L HA 0.481 4.825 4.340 0.006 0.000 0.272 174 L C -1.504 175.406 176.870 0.066 0.000 0.980 174 L CA -0.468 54.391 54.840 0.031 0.000 0.836 174 L CB 1.602 43.678 42.059 0.028 0.000 1.238 174 L HN -0.134 nan 8.230 nan 0.000 0.408 175 L N 5.726 127.029 121.223 0.134 0.000 2.322 175 L HA 0.746 5.090 4.340 0.006 0.000 0.281 175 L C -0.979 176.072 176.870 0.301 0.000 1.014 175 L CA -0.877 54.083 54.840 0.200 0.000 0.815 175 L CB 2.094 44.288 42.059 0.225 0.000 1.247 175 L HN 0.356 nan 8.230 nan 0.000 0.421 176 V N 2.211 122.262 119.914 0.228 0.000 2.483 176 V HA 0.272 4.396 4.120 0.006 0.000 0.297 176 V C -0.363 175.729 176.094 -0.002 0.000 1.027 176 V CA -0.796 61.613 62.300 0.181 0.000 0.855 176 V CB 1.877 33.775 31.823 0.124 0.000 0.995 176 V HN 0.697 nan 8.190 nan 0.000 0.424 177 N N 3.834 122.415 118.700 -0.199 0.000 2.406 177 N HA 0.477 5.220 4.740 0.006 0.000 0.251 177 N C 0.347 175.750 175.510 -0.179 0.000 1.069 177 N CA 0.163 52.955 53.050 -0.431 0.000 0.947 177 N CB 1.683 39.596 38.487 -0.956 0.000 1.111 177 N HN 0.800 nan 8.380 nan 0.000 0.497 178 A N 2.504 125.261 122.820 -0.105 0.000 2.535 178 A HA 0.192 4.515 4.320 0.006 0.000 0.273 178 A C 0.674 178.230 177.584 -0.047 0.000 1.267 178 A CA -0.148 51.851 52.037 -0.063 0.000 0.940 178 A CB -0.563 18.401 19.000 -0.060 0.000 1.101 178 A HN 0.677 nan 8.150 nan 0.000 0.521 179 T N -3.700 110.823 114.554 -0.052 0.000 2.897 179 T HA 0.406 4.760 4.350 0.006 0.000 0.278 179 T C 0.679 175.356 174.700 -0.039 0.000 0.981 179 T CA -0.667 61.419 62.100 -0.022 0.000 0.973 179 T CB 0.971 69.857 68.868 0.031 0.000 1.092 179 T HN 0.169 nan 8.240 nan 0.000 0.543 180 R N -0.016 120.470 120.500 -0.024 0.000 2.310 180 R HA 0.190 4.534 4.340 0.006 0.000 0.202 180 R C 0.076 176.365 176.300 -0.019 0.000 0.933 180 R CA -0.071 56.012 56.100 -0.029 0.000 1.054 180 R CB -0.121 30.165 30.300 -0.023 0.000 0.985 180 R HN 0.456 nan 8.270 nan 0.000 0.489 181 V N 0.973 120.884 119.914 -0.005 0.000 2.529 181 V HA 0.112 4.236 4.120 0.006 0.000 0.292 181 V C 1.414 177.512 176.094 0.007 0.000 1.028 181 V CA 1.311 63.619 62.300 0.014 0.000 1.074 181 V CB 0.845 32.693 31.823 0.041 0.000 0.958 181 V HN 0.725 nan 8.190 nan 0.000 0.481 182 G N 4.121 112.934 108.800 0.023 0.000 2.213 182 G HA2 -0.197 3.767 3.960 0.006 0.000 0.226 182 G HA3 -0.197 3.767 3.960 0.006 0.000 0.226 182 G C -0.065 174.840 174.900 0.008 0.000 0.992 182 G CA -0.024 45.097 45.100 0.035 0.000 0.632 182 G HN 0.794 nan 8.290 nan 0.000 0.511 183 L N 2.039 123.250 121.223 -0.019 0.000 2.562 183 L HA 0.463 4.806 4.340 0.006 0.000 0.271 183 L C 1.254 178.107 176.870 -0.029 0.000 1.167 183 L CA 1.107 55.918 54.840 -0.048 0.000 0.917 183 L CB -0.457 41.564 42.059 -0.064 0.000 1.187 183 L HN 0.377 nan 8.230 nan 0.000 0.482 184 E N 2.165 122.347 120.200 -0.030 0.000 2.883 184 E HA -0.275 4.079 4.350 0.006 0.000 0.271 184 E C -0.371 176.232 176.600 0.005 0.000 1.049 184 E CA 1.079 57.471 56.400 -0.014 0.000 0.817 184 E CB -1.191 28.499 29.700 -0.017 0.000 1.407 184 E HN 0.789 nan 8.360 nan 0.000 0.434 185 D N -0.874 119.535 120.400 0.015 0.000 2.364 185 D HA 0.254 4.898 4.640 0.006 0.000 0.251 185 D C -2.129 174.198 176.300 0.044 0.000 1.282 185 D CA -2.021 51.996 54.000 0.028 0.000 0.927 185 D CB 1.146 41.962 40.800 0.027 0.000 1.267 185 D HN -0.238 nan 8.370 nan 0.000 0.531 186 P HA -0.086 nan 4.420 nan 0.000 0.226 186 P C 1.119 178.457 177.300 0.063 0.000 1.146 186 P CA 0.816 63.954 63.100 0.063 0.000 0.773 186 P CB 0.301 32.035 31.700 0.057 0.000 0.772 187 S N -2.218 113.514 115.700 0.053 0.000 2.548 187 S HA 0.319 4.793 4.470 0.006 0.000 0.215 187 S C 0.918 175.556 174.600 0.063 0.000 0.976 187 S CA -0.185 58.047 58.200 0.053 0.000 0.908 187 S CB -0.281 62.943 63.200 0.041 0.000 0.781 187 S HN 0.041 nan 8.310 nan 0.000 0.519 188 A N 0.956 123.818 122.820 0.070 0.000 2.337 188 A HA 0.797 5.121 4.320 0.006 0.000 0.329 188 A C -0.203 177.446 177.584 0.109 0.000 1.146 188 A CA -0.601 51.483 52.037 0.078 0.000 0.800 188 A CB 1.658 20.695 19.000 0.061 0.000 1.220 188 A HN 0.377 nan 8.150 nan 0.000 0.472 189 S N 1.886 117.662 115.700 0.127 0.000 2.540 189 S HA 0.690 5.163 4.470 0.006 0.000 0.275 189 S C -2.256 172.424 174.600 0.132 0.000 1.123 189 S CA -1.004 57.308 58.200 0.185 0.000 0.907 189 S CB 1.816 65.187 63.200 0.285 0.000 1.081 189 S HN 0.498 nan 8.310 nan 0.000 0.476 190 P HA 0.161 nan 4.420 nan 0.000 0.229 190 P C -0.093 177.140 177.300 -0.113 0.000 1.160 190 P CA 0.234 63.335 63.100 0.003 0.000 0.777 190 P CB 0.085 31.757 31.700 -0.047 0.000 0.814 191 L N 0.812 122.040 121.223 0.009 0.000 2.381 191 L HA 0.599 4.943 4.340 0.006 0.000 0.274 191 L C -2.870 174.039 176.870 0.066 0.000 0.988 191 L CA -2.811 51.961 54.840 -0.113 0.000 0.824 191 L CB 1.904 43.776 42.059 -0.311 0.000 1.263 191 L HN -0.324 nan 8.230 nan 0.000 0.410 192 P HA 0.160 nan 4.420 nan 0.000 0.268 192 P C 0.122 177.558 177.300 0.227 0.000 1.205 192 P CA 0.120 63.279 63.100 0.097 0.000 0.771 192 P CB 0.981 32.699 31.700 0.030 0.000 0.858 193 A N 4.251 127.221 122.820 0.251 0.000 1.927 193 A HA -0.273 4.050 4.320 0.006 0.000 0.220 193 A C 1.818 179.562 177.584 0.266 0.000 1.185 193 A CA 2.190 54.389 52.037 0.270 0.000 0.639 193 A CB -1.258 17.783 19.000 0.068 0.000 0.820 193 A HN 0.742 nan 8.150 nan 0.000 0.451 194 E N -0.138 120.148 120.200 0.144 0.000 2.401 194 E HA -0.067 4.287 4.350 0.006 0.000 0.199 194 E C 1.356 178.014 176.600 0.097 0.000 1.023 194 E CA 1.002 57.461 56.400 0.097 0.000 0.859 194 E CB -0.350 29.382 29.700 0.053 0.000 0.780 194 E HN 0.644 nan 8.360 nan 0.000 0.523 195 L N -0.022 121.261 121.223 0.099 0.000 2.607 195 L HA 0.261 4.605 4.340 0.006 0.000 0.228 195 L C 0.224 177.093 176.870 -0.002 0.000 1.123 195 L CA -0.531 54.314 54.840 0.009 0.000 0.890 195 L CB 0.012 42.018 42.059 -0.089 0.000 1.103 195 L HN 0.023 nan 8.230 nan 0.000 0.468 196 F N 2.453 122.388 119.950 -0.024 0.000 2.518 196 F HA 0.146 4.677 4.527 0.007 0.000 0.359 196 F C -1.334 174.456 175.800 -0.018 0.000 1.118 196 F CA -1.626 56.355 58.000 -0.032 0.000 1.287 196 F CB 0.136 39.096 39.000 -0.067 0.000 1.132 196 F HN -0.125 nan 8.300 nan 0.000 0.587 197 P HA 0.094 nan 4.420 nan 0.000 0.277 197 P C -0.624 176.735 177.300 0.098 0.000 1.271 197 P CA -0.238 62.923 63.100 0.102 0.000 0.795 197 P CB 0.823 32.566 31.700 0.073 0.000 1.101 198 E N -1.038 119.197 120.200 0.059 0.000 2.476 198 E HA 0.056 4.410 4.350 0.006 0.000 0.196 198 E C 0.110 176.725 176.600 0.023 0.000 1.029 198 E CA 0.048 56.469 56.400 0.035 0.000 0.896 198 E CB 0.360 30.074 29.700 0.024 0.000 1.012 198 E HN 0.537 nan 8.360 nan 0.000 0.475 199 E N -0.808 119.410 120.200 0.029 0.000 2.372 199 E HA 0.630 4.983 4.350 0.006 0.000 0.279 199 E C 0.117 176.730 176.600 0.023 0.000 0.946 199 E CA -0.956 55.455 56.400 0.019 0.000 0.769 199 E CB 2.179 31.887 29.700 0.012 0.000 1.230 199 E HN 0.049 nan 8.360 nan 0.000 0.442 200 G N 0.574 109.384 108.800 0.017 0.000 2.265 200 G HA2 0.417 4.381 3.960 0.006 0.000 0.246 200 G HA3 0.417 4.381 3.960 0.006 0.000 0.246 200 G C -1.453 173.462 174.900 0.026 0.000 1.299 200 G CA -0.188 44.923 45.100 0.017 0.000 1.117 200 G HN 1.199 nan 8.290 nan 0.000 0.485 201 A N -1.177 121.666 122.820 0.039 0.000 2.539 201 A HA 1.098 5.421 4.320 0.006 0.000 0.296 201 A C -0.211 177.428 177.584 0.092 0.000 1.073 201 A CA 0.567 52.636 52.037 0.053 0.000 0.700 201 A CB 1.384 20.406 19.000 0.037 0.000 1.296 201 A HN 2.583 nan 8.150 nan 0.000 0.405 202 A N 0.614 123.500 122.820 0.111 0.000 2.393 202 A HA 0.750 5.074 4.320 0.006 0.000 0.306 202 A C -1.173 176.555 177.584 0.240 0.000 1.050 202 A CA -0.489 51.658 52.037 0.183 0.000 0.724 202 A CB 1.459 20.499 19.000 0.067 0.000 1.248 202 A HN 1.498 nan 8.150 nan 0.000 0.424 203 V N 1.905 122.032 119.914 0.355 0.000 2.656 203 V HA 0.509 4.632 4.120 0.006 0.000 0.307 203 V C -1.132 175.191 176.094 0.383 0.000 1.051 203 V CA -0.628 61.860 62.300 0.313 0.000 0.893 203 V CB 2.039 34.039 31.823 0.295 0.000 0.999 203 V HN 0.918 nan 8.190 nan 0.000 0.426 204 D N 2.753 123.326 120.400 0.288 0.000 2.391 204 D HA 0.446 5.089 4.640 0.006 0.000 0.245 204 D C 0.704 177.086 176.300 0.136 0.000 1.069 204 D CA -0.408 53.706 54.000 0.190 0.000 0.831 204 D CB 2.133 43.084 40.800 0.253 0.000 1.204 204 D HN 0.385 nan 8.370 nan 0.000 0.503 205 L N 2.105 123.387 121.223 0.097 0.000 2.291 205 L HA 0.066 4.409 4.340 0.006 0.000 0.214 205 L C 0.820 177.778 176.870 0.146 0.000 1.120 205 L CA 0.443 55.367 54.840 0.140 0.000 0.799 205 L CB 0.014 42.127 42.059 0.091 0.000 0.925 205 L HN 0.193 nan 8.230 nan 0.000 0.446 206 V N 0.685 120.623 119.914 0.039 0.000 2.521 206 V HA -0.116 4.008 4.120 0.006 0.000 0.286 206 V C 0.452 176.545 176.094 -0.001 0.000 1.034 206 V CA 0.109 62.373 62.300 -0.061 0.000 1.045 206 V CB 0.407 32.187 31.823 -0.072 0.000 0.974 206 V HN 0.311 nan 8.190 nan 0.000 0.480 207 Y N 2.539 122.826 120.300 -0.021 0.000 2.641 207 Y HA 0.591 5.144 4.550 0.006 0.000 0.248 207 Y C 0.626 176.502 175.900 -0.040 0.000 1.170 207 Y CA -0.934 57.133 58.100 -0.054 0.000 1.201 207 Y CB 0.123 38.550 38.460 -0.055 0.000 1.232 207 Y HN 0.387 nan 8.280 nan 0.000 0.537 208 R N 3.050 123.450 120.500 -0.167 0.000 2.472 208 R HA 0.341 4.685 4.340 0.006 0.000 0.294 208 R C -2.967 173.299 176.300 -0.057 0.000 1.243 208 R CA -1.914 54.132 56.100 -0.090 0.000 1.023 208 R CB 1.649 31.862 30.300 -0.146 0.000 1.157 208 R HN 0.059 nan 8.270 nan 0.000 0.530 209 P HA -0.027 nan 4.420 nan 0.000 0.273 209 P C 0.305 177.617 177.300 0.021 0.000 1.250 209 P CA -0.455 62.664 63.100 0.031 0.000 0.793 209 P CB 1.014 32.754 31.700 0.067 0.000 1.011 210 L N 0.456 121.688 121.223 0.015 0.000 2.044 210 L HA 0.084 4.427 4.340 0.006 0.000 0.205 210 L C 0.772 177.441 176.870 -0.336 0.000 1.075 210 L CA 1.406 56.163 54.840 -0.139 0.000 0.747 210 L CB -1.039 40.934 42.059 -0.144 0.000 0.903 210 L HN 0.347 nan 8.230 nan 0.000 0.435 211 W N 1.191 122.534 121.300 0.072 0.000 2.175 211 W HA 0.370 5.034 4.660 0.006 0.000 0.350 211 W C 0.661 177.222 176.519 0.070 0.000 0.877 211 W CA -0.577 56.808 57.345 0.065 0.000 1.544 211 W CB -0.194 29.288 29.460 0.037 0.000 1.585 211 W HN 0.068 nan 8.180 nan 0.000 0.347 212 T N -2.047 112.629 114.554 0.203 0.000 2.748 212 T HA 0.064 4.417 4.350 0.006 0.000 0.304 212 T C 1.483 176.316 174.700 0.223 0.000 1.041 212 T CA -0.331 61.883 62.100 0.189 0.000 1.033 212 T CB 1.234 70.213 68.868 0.185 0.000 0.995 212 T HN 0.522 nan 8.240 nan 0.000 0.536 213 R N -0.312 120.304 120.500 0.192 0.000 2.081 213 R HA -0.085 4.259 4.340 0.006 0.000 0.235 213 R C 2.182 178.608 176.300 0.209 0.000 1.131 213 R CA 1.401 57.600 56.100 0.166 0.000 0.960 213 R CB -0.577 29.812 30.300 0.147 0.000 0.856 213 R HN 0.730 nan 8.270 nan 0.000 0.436 214 F N 1.230 121.264 119.950 0.140 0.000 2.065 214 F HA -0.218 4.313 4.527 0.006 0.000 0.298 214 F C 1.779 177.690 175.800 0.187 0.000 1.112 214 F CA 1.710 59.844 58.000 0.224 0.000 1.212 214 F CB -0.316 38.808 39.000 0.207 0.000 0.975 214 F HN -0.000 nan 8.300 nan 0.000 0.476 215 L N -0.254 121.113 121.223 0.240 0.000 2.141 215 L HA -0.166 4.178 4.340 0.006 0.000 0.209 215 L C 2.622 179.547 176.870 0.092 0.000 1.094 215 L CA 1.195 56.125 54.840 0.150 0.000 0.763 215 L CB -0.570 41.680 42.059 0.319 0.000 0.908 215 L HN 0.096 nan 8.230 nan 0.000 0.437 216 R N -0.021 120.539 120.500 0.100 0.000 2.075 216 R HA -0.143 4.201 4.340 0.006 0.000 0.232 216 R C 2.147 178.343 176.300 -0.172 0.000 1.126 216 R CA 1.237 57.337 56.100 0.001 0.000 0.963 216 R CB -0.180 30.140 30.300 0.033 0.000 0.858 216 R HN 0.438 nan 8.270 nan 0.000 0.435 217 E N 0.541 120.563 120.200 -0.296 0.000 2.077 217 E HA -0.172 4.182 4.350 0.006 0.000 0.193 217 E C 2.066 178.145 176.600 -0.868 0.000 0.989 217 E CA 1.179 57.213 56.400 -0.609 0.000 0.800 217 E CB -0.105 29.104 29.700 -0.819 0.000 0.746 217 E HN 0.349 nan 8.360 nan 0.000 0.452 218 A N 1.750 124.057 122.820 -0.855 0.000 1.877 218 A HA -0.245 4.079 4.320 0.006 0.000 0.216 218 A C 2.085 179.511 177.584 -0.264 0.000 1.186 218 A CA 1.825 53.533 52.037 -0.548 0.000 0.620 218 A CB -0.419 18.399 19.000 -0.304 0.000 0.822 218 A HN 0.086 nan 8.150 nan 0.000 0.443 219 K N -0.231 120.065 120.400 -0.173 0.000 2.097 219 K HA -0.070 4.254 4.320 0.006 0.000 0.206 219 K C 2.021 178.538 176.600 -0.138 0.000 1.049 219 K CA 1.317 57.539 56.287 -0.107 0.000 0.933 219 K CB -0.350 32.099 32.500 -0.085 0.000 0.717 219 K HN 0.353 nan 8.250 nan 0.000 0.442 220 A N 1.062 123.773 122.820 -0.182 0.000 1.972 220 A HA -0.121 4.203 4.320 0.006 0.000 0.219 220 A C 1.607 179.105 177.584 -0.144 0.000 1.169 220 A CA 1.370 53.311 52.037 -0.161 0.000 0.635 220 A CB -0.233 18.659 19.000 -0.180 0.000 0.810 220 A HN 0.164 nan 8.150 nan 0.000 0.446 221 K N -1.200 119.095 120.400 -0.176 0.000 2.444 221 K HA 0.145 4.468 4.320 0.006 0.000 0.193 221 K C 1.083 177.642 176.600 -0.068 0.000 1.024 221 K CA 0.716 56.933 56.287 -0.116 0.000 1.077 221 K CB -0.140 32.287 32.500 -0.122 0.000 0.833 221 K HN 0.770 nan 8.250 nan 0.000 0.517 222 G N 1.476 110.233 108.800 -0.072 0.000 2.141 222 G HA2 -0.244 3.720 3.960 0.006 0.000 0.242 222 G HA3 -0.244 3.720 3.960 0.006 0.000 0.242 222 G C 0.095 174.979 174.900 -0.027 0.000 0.982 222 G CA -0.073 45.001 45.100 -0.045 0.000 0.662 222 G HN 0.213 nan 8.290 nan 0.000 0.527 223 L N 0.009 121.215 121.223 -0.028 0.000 2.418 223 L HA 0.417 4.761 4.340 0.006 0.000 0.265 223 L C 1.085 177.961 176.870 0.010 0.000 1.143 223 L CA -0.629 54.212 54.840 0.000 0.000 0.809 223 L CB 0.872 42.941 42.059 0.016 0.000 1.124 223 L HN 0.115 nan 8.230 nan 0.000 0.456 224 K N 1.845 122.259 120.400 0.024 0.000 2.322 224 K HA 0.387 4.711 4.320 0.006 0.000 0.283 224 K C -0.791 175.848 176.600 0.065 0.000 1.042 224 K CA -0.428 55.881 56.287 0.037 0.000 0.958 224 K CB 0.923 33.439 32.500 0.026 0.000 0.984 224 K HN 0.462 nan 8.250 nan 0.000 0.473 225 V N 0.835 120.812 119.914 0.105 0.000 2.864 225 V HA 0.542 4.666 4.120 0.006 0.000 0.314 225 V C -1.105 175.076 176.094 0.145 0.000 1.073 225 V CA -0.954 61.436 62.300 0.150 0.000 0.956 225 V CB 1.662 33.633 31.823 0.247 0.000 1.023 225 V HN 0.899 nan 8.190 nan 0.000 0.435 226 Q N 1.599 121.457 119.800 0.097 0.000 2.331 226 Q HA 0.591 4.935 4.340 0.006 0.000 0.272 226 Q C -0.193 175.787 176.000 -0.032 0.000 1.062 226 Q CA -0.394 55.427 55.803 0.030 0.000 0.806 226 Q CB 2.479 31.227 28.738 0.016 0.000 1.312 226 Q HN 1.153 nan 8.270 nan 0.000 0.431 227 T N -0.409 114.048 114.554 -0.162 0.000 2.771 227 T HA 0.382 4.736 4.350 0.006 0.000 0.290 227 T C 1.076 175.744 174.700 -0.053 0.000 1.005 227 T CA 0.035 61.996 62.100 -0.232 0.000 0.944 227 T CB 0.682 69.286 68.868 -0.439 0.000 1.147 227 T HN 0.719 nan 8.240 nan 0.000 0.534 228 G N -0.798 108.006 108.800 0.006 0.000 2.813 228 G HA2 0.121 4.084 3.960 0.006 0.000 0.209 228 G HA3 0.121 4.084 3.960 0.006 0.000 0.209 228 G C 1.358 176.238 174.900 -0.032 0.000 1.150 228 G CA -0.108 45.059 45.100 0.112 0.000 0.785 228 G HN 0.640 nan 8.290 nan 0.000 0.535 229 L N 0.516 121.661 121.223 -0.130 0.000 2.017 229 L HA -0.034 4.310 4.340 0.006 0.000 0.208 229 L C 0.091 176.895 176.870 -0.111 0.000 1.073 229 L CA 1.148 55.859 54.840 -0.215 0.000 0.745 229 L CB -1.264 40.678 42.059 -0.194 0.000 0.894 229 L HN 0.113 nan 8.230 nan 0.000 0.432 230 P HA -0.250 nan 4.420 nan 0.000 0.215 230 P C 1.881 179.287 177.300 0.176 0.000 1.157 230 P CA 1.700 64.852 63.100 0.087 0.000 0.874 230 P CB -0.037 31.710 31.700 0.078 0.000 0.790 231 M N -1.213 118.457 119.600 0.117 0.000 2.086 231 M HA -0.166 4.318 4.480 0.006 0.000 0.261 231 M C 1.931 178.315 176.300 0.141 0.000 1.067 231 M CA 1.765 57.167 55.300 0.170 0.000 1.116 231 M CB -0.758 31.977 32.600 0.224 0.000 1.348 231 M HN -0.133 nan 8.290 nan 0.000 0.407 232 L N 1.018 122.260 121.223 0.030 0.000 2.042 232 L HA -0.125 4.218 4.340 0.006 0.000 0.210 232 L C 2.435 179.273 176.870 -0.052 0.000 1.076 232 L CA 2.372 57.185 54.840 -0.044 0.000 0.749 232 L CB -1.060 40.834 42.059 -0.276 0.000 0.893 232 L HN 0.357 nan 8.230 nan 0.000 0.432 233 A N -1.336 121.431 122.820 -0.088 0.000 1.873 233 A HA -0.221 4.103 4.320 0.006 0.000 0.215 233 A C 2.060 179.545 177.584 -0.166 0.000 1.186 233 A CA 1.762 53.691 52.037 -0.179 0.000 0.616 233 A CB -1.362 17.491 19.000 -0.245 0.000 0.823 233 A HN 0.655 nan 8.150 nan 0.000 0.442 234 W N 0.501 121.754 121.300 -0.080 0.000 2.388 234 W HA -0.165 4.499 4.660 0.007 0.000 0.294 234 W C 2.744 179.242 176.519 -0.035 0.000 1.212 234 W CA 1.656 58.969 57.345 -0.054 0.000 1.271 234 W CB -0.239 29.198 29.460 -0.039 0.000 1.126 234 W HN 0.642 nan 8.180 nan 0.000 0.535 235 Q N -0.343 119.582 119.800 0.208 0.000 2.170 235 Q HA -0.021 4.322 4.340 0.006 0.000 0.203 235 Q C 2.118 178.156 176.000 0.062 0.000 0.976 235 Q CA 2.131 58.016 55.803 0.137 0.000 0.858 235 Q CB -1.451 27.369 28.738 0.137 0.000 0.907 235 Q HN 0.166 nan 8.270 nan 0.000 0.433 236 G N 0.524 109.341 108.800 0.028 0.000 2.394 236 G HA2 -0.053 3.910 3.960 0.006 0.000 0.214 236 G HA3 -0.053 3.910 3.960 0.006 0.000 0.214 236 G C 1.584 176.455 174.900 -0.048 0.000 1.176 236 G CA 0.799 45.911 45.100 0.019 0.000 0.786 236 G HN 0.567 nan 8.290 nan 0.000 0.533 237 A N 0.786 123.519 122.820 -0.145 0.000 1.883 237 A HA 0.039 4.363 4.320 0.006 0.000 0.217 237 A C 2.432 179.984 177.584 -0.053 0.000 1.186 237 A CA 1.371 53.311 52.037 -0.162 0.000 0.624 237 A CB -0.502 18.290 19.000 -0.348 0.000 0.822 237 A HN 0.344 nan 8.150 nan 0.000 0.444 238 L N -0.905 120.308 121.223 -0.017 0.000 2.083 238 L HA -0.187 4.156 4.340 0.006 0.000 0.209 238 L C 3.066 179.819 176.870 -0.194 0.000 1.083 238 L CA 0.952 55.776 54.840 -0.026 0.000 0.752 238 L CB -0.549 41.543 42.059 0.054 0.000 0.899 238 L HN 0.456 nan 8.230 nan 0.000 0.433 239 A N -0.283 122.367 122.820 -0.284 0.000 1.898 239 A HA -0.245 4.079 4.320 0.006 0.000 0.216 239 A C 2.157 179.093 177.584 -1.079 0.000 1.181 239 A CA 1.289 52.888 52.037 -0.731 0.000 0.620 239 A CB -0.771 17.802 19.000 -0.711 0.000 0.819 239 A HN 0.361 nan 8.150 nan 0.000 0.442 240 F N 0.351 119.933 119.950 -0.614 0.000 2.171 240 F HA -0.142 4.388 4.527 0.006 0.000 0.300 240 F C 2.406 178.107 175.800 -0.165 0.000 1.090 240 F CA 1.950 59.786 58.000 -0.273 0.000 1.293 240 F CB -0.098 38.888 39.000 -0.022 0.000 1.013 240 F HN 0.206 nan 8.300 nan 0.000 0.486 241 R N 0.205 120.688 120.500 -0.028 0.000 2.075 241 R HA -0.130 4.213 4.340 0.006 0.000 0.232 241 R C 2.262 178.468 176.300 -0.157 0.000 1.126 241 R CA 1.440 57.520 56.100 -0.033 0.000 0.963 241 R CB -0.468 29.823 30.300 -0.015 0.000 0.858 241 R HN 0.370 nan 8.270 nan 0.000 0.435 242 L N -0.346 120.681 121.223 -0.327 0.000 2.042 242 L HA -0.236 4.108 4.340 0.006 0.000 0.210 242 L C 2.234 178.983 176.870 -0.201 0.000 1.076 242 L CA 1.243 55.840 54.840 -0.406 0.000 0.749 242 L CB -0.419 41.233 42.059 -0.679 0.000 0.893 242 L HN 0.378 nan 8.230 nan 0.000 0.432 243 W N -0.578 120.612 121.300 -0.183 0.000 2.453 243 W HA -0.046 4.618 4.660 0.007 0.000 0.289 243 W C 2.577 179.029 176.519 -0.111 0.000 1.215 243 W CA 1.612 58.882 57.345 -0.126 0.000 1.297 243 W CB -1.178 28.173 29.460 -0.182 0.000 1.113 243 W HN 0.330 nan 8.180 nan 0.000 0.551 244 T N -5.006 109.566 114.554 0.030 0.000 2.955 244 T HA 0.397 4.750 4.350 0.006 0.000 0.251 244 T C 1.610 176.328 174.700 0.029 0.000 1.002 244 T CA 0.899 63.009 62.100 0.018 0.000 0.970 244 T CB 0.545 69.386 68.868 -0.044 0.000 1.091 244 T HN 0.188 nan 8.240 nan 0.000 0.495 245 G N 1.393 110.201 108.800 0.013 0.000 2.175 245 G HA2 -0.151 3.813 3.960 0.006 0.000 0.244 245 G HA3 -0.151 3.813 3.960 0.006 0.000 0.244 245 G C -0.197 174.735 174.900 0.054 0.000 0.982 245 G CA 0.109 45.219 45.100 0.017 0.000 0.641 245 G HN 0.647 nan 8.290 nan 0.000 0.527 246 L N 0.136 121.426 121.223 0.112 0.000 2.334 246 L HA 0.765 5.109 4.340 0.006 0.000 0.276 246 L C -0.153 176.832 176.870 0.193 0.000 1.014 246 L CA -1.252 53.682 54.840 0.156 0.000 0.815 246 L CB 1.880 44.072 42.059 0.222 0.000 1.268 246 L HN 0.063 nan 8.230 nan 0.000 0.428 247 L N 6.040 127.321 121.223 0.097 0.000 2.283 247 L HA 0.521 4.865 4.340 0.006 0.000 0.281 247 L C -2.052 174.794 176.870 -0.040 0.000 1.033 247 L CA -1.541 53.324 54.840 0.042 0.000 0.848 247 L CB 0.541 42.610 42.059 0.017 0.000 1.226 247 L HN 0.314 nan 8.230 nan 0.000 0.429 248 P HA 0.068 nan 4.420 nan 0.000 0.272 248 P C -0.904 176.282 177.300 -0.191 0.000 1.230 248 P CA -0.374 62.594 63.100 -0.219 0.000 0.788 248 P CB 0.629 32.067 31.700 -0.438 0.000 0.949 249 D N 1.752 122.090 120.400 -0.103 0.000 2.382 249 D HA 0.050 4.694 4.640 0.006 0.000 0.259 249 D C -1.510 174.646 176.300 -0.240 0.000 1.224 249 D CA -1.455 52.476 54.000 -0.114 0.000 0.894 249 D CB 0.367 41.180 40.800 0.021 0.000 1.127 249 D HN 0.107 nan 8.370 nan 0.000 0.487 250 P HA -0.105 nan 4.420 nan 0.000 0.216 250 P C 1.192 178.203 177.300 -0.482 0.000 1.153 250 P CA 0.803 63.454 63.100 -0.749 0.000 0.848 250 P CB 0.254 30.968 31.700 -1.642 0.000 0.787 251 S N -0.592 114.916 115.700 -0.319 0.000 2.382 251 S HA -0.105 4.368 4.470 0.006 0.000 0.228 251 S C 2.174 176.593 174.600 -0.301 0.000 1.027 251 S CA 1.589 59.660 58.200 -0.216 0.000 0.991 251 S CB -1.442 61.689 63.200 -0.114 0.000 0.823 251 S HN 0.281 nan 8.310 nan 0.000 0.469 252 G N 1.243 109.836 108.800 -0.345 0.000 2.402 252 G HA2 -0.154 3.810 3.960 0.006 0.000 0.216 252 G HA3 -0.154 3.810 3.960 0.006 0.000 0.216 252 G C 1.380 175.585 174.900 -1.158 0.000 1.162 252 G CA 0.640 45.307 45.100 -0.722 0.000 0.777 252 G HN 0.407 nan 8.290 nan 0.000 0.539 253 M N 0.067 119.222 119.600 -0.741 0.000 2.175 253 M HA 0.005 4.489 4.480 0.006 0.000 0.264 253 M C 2.401 178.426 176.300 -0.458 0.000 1.063 253 M CA 1.327 56.280 55.300 -0.579 0.000 1.119 253 M CB -0.210 32.152 32.600 -0.396 0.000 1.377 253 M HN 0.355 nan 8.290 nan 0.000 0.415 254 E N 0.709 120.677 120.200 -0.387 0.000 2.051 254 E HA -0.265 4.088 4.350 0.006 0.000 0.192 254 E C 1.878 178.318 176.600 -0.266 0.000 0.991 254 E CA 1.491 57.723 56.400 -0.281 0.000 0.799 254 E CB -0.014 29.560 29.700 -0.209 0.000 0.748 254 E HN 0.516 nan 8.360 nan 0.000 0.449 255 E N -0.114 119.905 120.200 -0.301 0.000 2.058 255 E HA -0.228 4.126 4.350 0.006 0.000 0.194 255 E C 1.946 178.392 176.600 -0.256 0.000 0.997 255 E CA 1.110 57.360 56.400 -0.250 0.000 0.801 255 E CB -0.170 29.372 29.700 -0.264 0.000 0.746 255 E HN 0.332 nan 8.360 nan 0.000 0.450 256 A N 1.033 123.626 122.820 -0.379 0.000 1.940 256 A HA -0.146 4.178 4.320 0.006 0.000 0.219 256 A C 2.355 179.832 177.584 -0.178 0.000 1.176 256 A CA 1.894 53.759 52.037 -0.286 0.000 0.631 256 A CB -0.719 18.060 19.000 -0.368 0.000 0.814 256 A HN 0.424 nan 8.150 nan 0.000 0.446 257 A N -0.648 122.050 122.820 -0.203 0.000 1.930 257 A HA -0.105 4.218 4.320 0.006 0.000 0.217 257 A C 2.245 179.764 177.584 -0.108 0.000 1.175 257 A CA 1.512 53.458 52.037 -0.153 0.000 0.627 257 A CB -0.455 18.420 19.000 -0.209 0.000 0.815 257 A HN 0.542 nan 8.150 nan 0.000 0.443 258 R N -0.348 120.082 120.500 -0.117 0.000 2.070 258 R HA -0.108 4.235 4.340 0.006 0.000 0.233 258 R C 2.408 178.683 176.300 -0.042 0.000 1.137 258 R CA 1.524 57.582 56.100 -0.070 0.000 0.945 258 R CB -0.281 29.977 30.300 -0.070 0.000 0.845 258 R HN 0.501 nan 8.270 nan 0.000 0.430 259 R N -0.170 120.297 120.500 -0.055 0.000 2.117 259 R HA -0.140 4.203 4.340 0.006 0.000 0.243 259 R C 2.224 178.518 176.300 -0.011 0.000 1.143 259 R CA 1.540 57.622 56.100 -0.031 0.000 0.968 259 R CB -0.370 29.906 30.300 -0.040 0.000 0.863 259 R HN 0.280 nan 8.270 nan 0.000 0.444 260 A N 0.636 123.447 122.820 -0.014 0.000 2.067 260 A HA -0.067 4.257 4.320 0.006 0.000 0.219 260 A C 2.048 179.649 177.584 0.028 0.000 1.158 260 A CA 0.901 52.946 52.037 0.013 0.000 0.661 260 A CB -0.238 18.771 19.000 0.015 0.000 0.801 260 A HN 0.202 nan 8.150 nan 0.000 0.452 261 L N -1.677 119.558 121.223 0.021 0.000 2.209 261 L HA 0.243 4.587 4.340 0.006 0.000 0.207 261 L C 1.374 178.258 176.870 0.023 0.000 1.094 261 L CA 0.737 55.597 54.840 0.034 0.000 0.790 261 L CB -0.263 41.822 42.059 0.043 0.000 0.932 261 L HN 0.642 nan 8.230 nan 0.000 0.447 262 G N 0.000 108.811 108.800 0.018 0.000 5.446 262 G HA2 0.000 3.964 3.960 0.006 0.000 0.244 262 G HA3 0.000 3.964 3.960 0.006 0.000 0.244 262 G CA 0.000 45.111 45.100 0.018 0.000 0.502 262 G HN 0.000 nan 8.290 nan 0.000 0.925