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 1b1y_1_A DATA FIRST_RESID 5 DATA SEQUENCE MKGNYVQVYV MLPLDAVSVN NRFEKGDELR AQLRKLVEAG VDGVMVDVWW DATA SEQUENCE GLVEGKGPKA YDWSAYKQLF ELVQKAGLKL QAIMSFHQCG GNVGDAVNIP DATA SEQUENCE IPQWVRDVGT RDPDIFYTDG HGTRNIEYLT LGVDNQPLFH GRSAVQMYAD DATA SEQUENCE YMTSFRENMK DFLDAGVIVD IEVGLGPAGE LRYPSYPQSH GWSFPGIGEF DATA SEQUENCE ICYDKYLQAD FKAAAAAVGH PEWEFPNDAG QYNDTPERTQ FFRDNGTYLS DATA SEQUENCE EKGRFFLAWY SNNLIKHGDR ILDEANKVFL GYKVQLAIKI AGVHWWYKVP DATA SEQUENCE SHAAELTAGY YNLHDRDGYR TIARMLKRHR ASINFTCAEM RDSEQPPDAM DATA SEQUENCE SAPEELVQQV LSAGWREGLN VSCENALPRY DPTAYNTILR NARPHGINQS DATA SEQUENCE GPPEHKLFGF TYLRLSNQLV EGQNYVNFKT FVDRMHANLP RDPYVDPMAP DATA SEQUENCE LPRSGPEISI EMILQAAQPK IQPFPFQEHT DLPVGPTGGM GGQAEGPTCG 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.315 176.300 0.025 0.000 1.140 5 M CA 0.000 55.304 55.300 0.007 0.000 0.988 5 M CB 0.000 32.604 32.600 0.006 0.000 1.302 6 K N -0.206 120.210 120.400 0.026 0.000 2.173 6 K HA -0.049 4.271 4.320 0.001 0.000 0.207 6 K C 1.597 178.222 176.600 0.042 0.000 1.046 6 K CA 1.665 57.974 56.287 0.037 0.000 0.929 6 K CB -0.444 32.047 32.500 -0.015 0.000 0.720 6 K HN 0.577 nan 8.250 nan 0.000 0.453 7 G N 1.764 110.573 108.800 0.016 0.000 2.448 7 G HA2 -0.207 3.754 3.960 0.001 0.000 0.219 7 G HA3 -0.207 3.754 3.960 0.001 0.000 0.219 7 G C 1.164 176.075 174.900 0.018 0.000 1.127 7 G CA 0.400 45.505 45.100 0.007 0.000 0.766 7 G HN 0.316 nan 8.290 nan 0.000 0.552 8 N N -0.645 118.070 118.700 0.025 0.000 2.336 8 N HA 0.024 4.765 4.740 0.001 0.000 0.189 8 N C -0.361 175.174 175.510 0.041 0.000 1.113 8 N CA -0.283 52.774 53.050 0.012 0.000 0.858 8 N CB 0.326 38.805 38.487 -0.013 0.000 0.970 8 N HN 0.356 nan 8.380 nan 0.000 0.471 9 Y N 2.023 122.292 120.300 -0.052 0.000 2.496 9 Y HA 0.108 4.659 4.550 0.001 0.000 0.334 9 Y C -0.229 175.642 175.900 -0.049 0.000 1.080 9 Y CA -0.123 57.941 58.100 -0.059 0.000 1.355 9 Y CB 0.466 38.854 38.460 -0.120 0.000 1.193 9 Y HN -0.290 nan 8.280 nan 0.000 0.523 10 V N 7.357 127.236 119.914 -0.059 0.000 2.409 10 V HA 0.226 4.347 4.120 0.001 0.000 0.291 10 V C -0.466 175.635 176.094 0.012 0.000 1.020 10 V CA -1.047 61.265 62.300 0.020 0.000 0.848 10 V CB 1.496 33.318 31.823 -0.002 0.000 0.990 10 V HN 0.677 nan 8.190 nan 0.000 0.430 11 Q N 2.869 122.771 119.800 0.170 0.000 2.337 11 Q HA 0.382 4.723 4.340 0.001 0.000 0.270 11 Q C -0.687 175.504 176.000 0.318 0.000 1.002 11 Q CA -0.130 55.848 55.803 0.291 0.000 0.888 11 Q CB 1.647 30.596 28.738 0.352 0.000 1.222 11 Q HN 0.560 nan 8.270 nan 0.000 0.400 12 V N 3.530 123.591 119.914 0.245 0.000 2.483 12 V HA 0.396 4.516 4.120 0.001 0.000 0.295 12 V C -0.985 175.253 176.094 0.240 0.000 1.035 12 V CA -0.655 61.779 62.300 0.224 0.000 0.896 12 V CB 0.717 32.474 31.823 -0.110 0.000 0.986 12 V HN 0.584 nan 8.190 nan 0.000 0.447 13 Y N 2.073 122.475 120.300 0.170 0.000 2.477 13 Y HA 0.677 5.228 4.550 0.001 0.000 0.347 13 Y C -0.076 175.944 175.900 0.200 0.000 0.981 13 Y CA -0.893 57.290 58.100 0.138 0.000 1.033 13 Y CB 2.230 40.725 38.460 0.058 0.000 1.245 13 Y HN 0.355 nan 8.280 nan 0.000 0.455 14 V N 3.971 124.070 119.914 0.309 0.000 2.732 14 V HA 0.459 4.580 4.120 0.001 0.000 0.310 14 V C -0.233 175.980 176.094 0.199 0.000 1.053 14 V CA -0.985 61.491 62.300 0.293 0.000 0.957 14 V CB 1.846 33.797 31.823 0.214 0.000 1.018 14 V HN 0.705 nan 8.190 nan 0.000 0.452 15 M N 4.230 123.927 119.600 0.162 0.000 2.157 15 M HA 0.457 4.938 4.480 0.001 0.000 0.354 15 M C -0.510 175.854 176.300 0.107 0.000 1.170 15 M CA -0.272 55.083 55.300 0.092 0.000 1.060 15 M CB 1.155 33.776 32.600 0.034 0.000 1.615 15 M HN 0.412 nan 8.290 nan 0.000 0.460 16 L N 4.544 125.828 121.223 0.103 0.000 2.476 16 L HA 0.232 4.573 4.340 0.001 0.000 0.264 16 L C -1.744 175.206 176.870 0.134 0.000 1.224 16 L CA -1.751 53.163 54.840 0.122 0.000 0.821 16 L CB -0.157 41.983 42.059 0.135 0.000 1.101 16 L HN 0.359 nan 8.230 nan 0.000 0.488 17 P HA -0.093 nan 4.420 nan 0.000 0.266 17 P C 0.853 178.268 177.300 0.191 0.000 1.186 17 P CA 0.231 63.419 63.100 0.146 0.000 0.767 17 P CB 0.549 32.329 31.700 0.133 0.000 0.820 18 L N 1.109 122.453 121.223 0.200 0.000 2.261 18 L HA -0.188 4.153 4.340 0.001 0.000 0.216 18 L C 0.798 177.905 176.870 0.395 0.000 1.114 18 L CA 1.670 56.698 54.840 0.314 0.000 0.777 18 L CB -0.686 41.529 42.059 0.260 0.000 0.910 18 L HN 0.480 nan 8.230 nan 0.000 0.440 19 D N -1.616 118.934 120.400 0.250 0.000 2.863 19 D HA 0.261 4.901 4.640 0.001 0.000 0.323 19 D C 0.917 177.353 176.300 0.226 0.000 1.286 19 D CA 0.109 54.242 54.000 0.221 0.000 0.921 19 D CB 0.663 41.523 40.800 0.101 0.000 1.024 19 D HN -0.001 nan 8.370 nan 0.000 0.505 20 A N 0.710 123.701 122.820 0.286 0.000 1.877 20 A HA 0.078 4.399 4.320 0.001 0.000 0.216 20 A C 1.154 178.946 177.584 0.347 0.000 1.186 20 A CA 1.276 53.491 52.037 0.295 0.000 0.620 20 A CB -0.418 18.757 19.000 0.292 0.000 0.822 20 A HN 0.676 nan 8.150 nan 0.000 0.443 21 V N -1.041 119.028 119.914 0.258 0.000 2.417 21 V HA 0.600 4.721 4.120 0.001 0.000 0.291 21 V C 0.350 176.510 176.094 0.110 0.000 1.024 21 V CA -0.649 61.763 62.300 0.188 0.000 0.861 21 V CB 0.515 32.218 31.823 -0.200 0.000 0.985 21 V HN 0.761 nan 8.190 nan 0.000 0.436 22 S N 3.950 119.700 115.700 0.083 0.000 2.639 22 S HA -0.058 4.413 4.470 0.001 0.000 0.252 22 S C 1.337 175.935 174.600 -0.003 0.000 1.413 22 S CA 0.474 58.692 58.200 0.031 0.000 0.974 22 S CB 0.404 63.606 63.200 0.005 0.000 0.899 22 S HN 2.270 nan 8.310 nan 0.000 0.562 23 V N -0.747 119.148 119.914 -0.033 0.000 3.488 23 V HA 0.147 4.268 4.120 0.001 0.000 0.273 23 V C 0.368 176.429 176.094 -0.055 0.000 1.209 23 V CA 0.983 63.241 62.300 -0.069 0.000 1.179 23 V CB -2.160 29.617 31.823 -0.076 0.000 0.842 23 V HN 0.932 nan 8.190 nan 0.000 0.515 24 N N -0.746 117.936 118.700 -0.030 0.000 2.605 24 N HA 0.171 4.912 4.740 0.001 0.000 0.265 24 N C 0.067 175.571 175.510 -0.010 0.000 1.625 24 N CA -0.034 53.005 53.050 -0.019 0.000 0.862 24 N CB -1.190 37.286 38.487 -0.019 0.000 1.415 24 N HN 0.151 nan 8.380 nan 0.000 0.513 25 N N 0.929 119.620 118.700 -0.015 0.000 2.708 25 N HA -0.213 4.528 4.740 0.001 0.000 0.249 25 N C -1.048 174.446 175.510 -0.027 0.000 1.097 25 N CA 0.551 53.577 53.050 -0.041 0.000 0.710 25 N CB -0.403 38.081 38.487 -0.005 0.000 1.032 25 N HN 0.497 nan 8.380 nan 0.000 0.551 26 R N 0.851 121.348 120.500 -0.005 0.000 2.275 26 R HA 0.182 4.523 4.340 0.001 0.000 0.326 26 R C -0.398 175.945 176.300 0.073 0.000 0.973 26 R CA -0.637 55.478 56.100 0.026 0.000 0.854 26 R CB -0.142 30.162 30.300 0.006 0.000 1.156 26 R HN 0.091 nan 8.270 nan 0.000 0.487 27 F N 3.544 123.455 119.950 -0.065 0.000 2.487 27 F HA 0.049 4.577 4.527 0.001 0.000 0.364 27 F C 0.866 176.656 175.800 -0.017 0.000 1.126 27 F CA 0.165 58.137 58.000 -0.048 0.000 1.135 27 F CB 0.419 39.398 39.000 -0.035 0.000 1.127 27 F HN 0.553 nan 8.300 nan 0.000 0.559 28 E N 4.010 124.024 120.200 -0.310 0.000 2.134 28 E HA -0.045 4.306 4.350 0.001 0.000 0.194 28 E C 1.292 177.611 176.600 -0.468 0.000 0.937 28 E CA 0.235 56.434 56.400 -0.335 0.000 0.874 28 E CB -0.021 29.589 29.700 -0.151 0.000 0.853 28 E HN 0.591 nan 8.360 nan 0.000 0.471 29 K N 1.359 121.524 120.400 -0.392 0.000 2.699 29 K HA 0.063 4.383 4.320 0.001 0.000 0.205 29 K C 1.474 177.871 176.600 -0.338 0.000 1.008 29 K CA 0.656 56.778 56.287 -0.276 0.000 1.100 29 K CB -0.131 32.309 32.500 -0.100 0.000 0.878 29 K HN 0.103 nan 8.250 nan 0.000 0.496 30 G N 2.057 110.419 108.800 -0.730 0.000 2.505 30 G HA2 -0.319 3.642 3.960 0.001 0.000 0.220 30 G HA3 -0.319 3.642 3.960 0.001 0.000 0.220 30 G C 0.699 175.547 174.900 -0.088 0.000 1.145 30 G CA 1.438 46.249 45.100 -0.481 0.000 0.761 30 G HN 0.495 nan 8.290 nan 0.000 0.571 31 D N -0.519 119.822 120.400 -0.099 0.000 2.194 31 D HA 0.064 4.705 4.640 0.001 0.000 0.204 31 D C 2.204 178.496 176.300 -0.014 0.000 0.964 31 D CA 0.959 54.941 54.000 -0.030 0.000 0.846 31 D CB 0.025 40.803 40.800 -0.037 0.000 0.962 31 D HN 0.497 nan 8.370 nan 0.000 0.490 32 E N 0.481 120.662 120.200 -0.031 0.000 2.028 32 E HA -0.119 4.231 4.350 0.001 0.000 0.191 32 E C 1.933 178.544 176.600 0.019 0.000 0.988 32 E CA 0.570 56.962 56.400 -0.012 0.000 0.799 32 E CB -0.094 29.594 29.700 -0.020 0.000 0.755 32 E HN 0.196 nan 8.360 nan 0.000 0.447 33 L N 0.566 121.817 121.223 0.046 0.000 2.131 33 L HA -0.170 4.170 4.340 0.001 0.000 0.210 33 L C 2.709 179.640 176.870 0.103 0.000 1.092 33 L CA 1.270 56.172 54.840 0.105 0.000 0.759 33 L CB -0.165 42.016 42.059 0.203 0.000 0.903 33 L HN 0.127 nan 8.230 nan 0.000 0.435 34 R N -0.325 120.230 120.500 0.091 0.000 2.092 34 R HA -0.145 4.196 4.340 0.001 0.000 0.231 34 R C 2.119 178.448 176.300 0.048 0.000 1.119 34 R CA 1.433 57.582 56.100 0.082 0.000 0.970 34 R CB -0.232 30.113 30.300 0.075 0.000 0.864 34 R HN 0.360 nan 8.270 nan 0.000 0.440 35 A N 0.202 123.038 122.820 0.027 0.000 1.970 35 A HA -0.069 4.252 4.320 0.001 0.000 0.216 35 A C 1.955 179.536 177.584 -0.005 0.000 1.170 35 A CA 0.919 52.958 52.037 0.004 0.000 0.645 35 A CB -0.211 18.783 19.000 -0.010 0.000 0.816 35 A HN 0.471 nan 8.150 nan 0.000 0.447 36 Q N -1.117 118.689 119.800 0.010 0.000 2.172 36 Q HA 0.016 4.357 4.340 0.001 0.000 0.200 36 Q C 1.121 177.135 176.000 0.024 0.000 0.964 36 Q CA 0.776 56.583 55.803 0.007 0.000 0.855 36 Q CB -0.064 28.690 28.738 0.027 0.000 0.918 36 Q HN 0.464 nan 8.270 nan 0.000 0.444 37 L N -0.040 121.211 121.223 0.046 0.000 2.591 37 L HA 0.032 4.372 4.340 0.001 0.000 0.228 37 L C 1.927 178.826 176.870 0.048 0.000 1.133 37 L CA 0.734 55.608 54.840 0.056 0.000 0.880 37 L CB -0.098 42.005 42.059 0.072 0.000 1.033 37 L HN 0.012 nan 8.230 nan 0.000 0.450 38 R N -0.079 120.440 120.500 0.032 0.000 2.055 38 R HA -0.036 4.305 4.340 0.001 0.000 0.226 38 R C 2.065 178.383 176.300 0.029 0.000 1.135 38 R CA 1.442 57.557 56.100 0.025 0.000 0.959 38 R CB -0.043 30.261 30.300 0.007 0.000 0.854 38 R HN 0.049 nan 8.270 nan 0.000 0.431 39 K N 0.242 120.641 120.400 -0.002 0.000 2.097 39 K HA -0.086 4.234 4.320 0.001 0.000 0.205 39 K C 1.953 178.667 176.600 0.189 0.000 1.050 39 K CA 0.923 57.212 56.287 0.003 0.000 0.938 39 K CB -0.271 32.075 32.500 -0.257 0.000 0.718 39 K HN 0.145 nan 8.250 nan 0.000 0.442 40 L N 0.765 122.079 121.223 0.152 0.000 2.127 40 L HA -0.159 4.182 4.340 0.001 0.000 0.211 40 L C 2.118 179.088 176.870 0.166 0.000 1.089 40 L CA 1.286 56.242 54.840 0.194 0.000 0.757 40 L CB -0.342 41.790 42.059 0.121 0.000 0.899 40 L HN -0.105 nan 8.230 nan 0.000 0.434 41 V N -2.040 117.941 119.914 0.113 0.000 3.354 41 V HA -0.052 4.069 4.120 0.001 0.000 0.258 41 V C 2.063 178.210 176.094 0.087 0.000 1.159 41 V CA 0.533 62.880 62.300 0.078 0.000 1.125 41 V CB -0.290 31.561 31.823 0.046 0.000 0.774 41 V HN 0.406 nan 8.190 nan 0.000 0.464 42 E N 1.066 121.340 120.200 0.124 0.000 2.274 42 E HA -0.062 4.289 4.350 0.001 0.000 0.194 42 E C 2.235 178.919 176.600 0.140 0.000 0.996 42 E CA 1.065 57.543 56.400 0.130 0.000 0.840 42 E CB -0.135 29.662 29.700 0.162 0.000 0.772 42 E HN 0.600 nan 8.360 nan 0.000 0.491 43 A N 0.284 123.215 122.820 0.184 0.000 2.067 43 A HA 0.153 4.474 4.320 0.001 0.000 0.217 43 A C 1.811 179.387 177.584 -0.013 0.000 1.156 43 A CA 1.022 53.105 52.037 0.076 0.000 0.683 43 A CB -0.223 18.911 19.000 0.224 0.000 0.808 43 A HN 0.332 nan 8.150 nan 0.000 0.455 44 G N -1.523 107.303 108.800 0.042 0.000 2.130 44 G HA2 -0.155 3.806 3.960 0.001 0.000 0.216 44 G HA3 -0.155 3.806 3.960 0.001 0.000 0.216 44 G C 0.118 175.064 174.900 0.075 0.000 0.999 44 G CA -0.023 45.103 45.100 0.044 0.000 0.686 44 G HN 0.748 nan 8.290 nan 0.000 0.515 45 V N 0.596 120.548 119.914 0.063 0.000 2.673 45 V HA 0.130 4.251 4.120 0.001 0.000 0.303 45 V C 1.679 177.762 176.094 -0.018 0.000 1.046 45 V CA 1.255 63.585 62.300 0.050 0.000 1.126 45 V CB 0.979 32.882 31.823 0.134 0.000 0.934 45 V HN 0.425 nan 8.190 nan 0.000 0.487 46 D N 2.337 122.681 120.400 -0.094 0.000 2.144 46 D HA 0.212 4.853 4.640 0.001 0.000 0.200 46 D C 0.859 176.894 176.300 -0.441 0.000 0.978 46 D CA 1.653 55.506 54.000 -0.245 0.000 0.833 46 D CB 0.126 40.753 40.800 -0.288 0.000 0.961 46 D HN 0.811 nan 8.370 nan 0.000 0.470 47 G N -1.478 106.935 108.800 -0.645 0.000 2.489 47 G HA2 0.477 4.438 3.960 0.001 0.000 0.305 47 G HA3 0.477 4.438 3.960 0.001 0.000 0.305 47 G C -1.559 173.207 174.900 -0.222 0.000 1.311 47 G CA -0.284 44.526 45.100 -0.483 0.000 0.813 47 G HN 0.246 nan 8.290 nan 0.000 0.480 48 V N -2.832 117.096 119.914 0.024 0.000 3.158 48 V HA 0.924 5.045 4.120 0.001 0.000 0.311 48 V C -0.374 175.811 176.094 0.152 0.000 1.181 48 V CA -1.102 61.273 62.300 0.125 0.000 1.054 48 V CB 2.156 34.019 31.823 0.066 0.000 1.085 48 V HN 1.126 nan 8.190 nan 0.000 0.446 49 M N 2.598 122.256 119.600 0.097 0.000 2.204 49 M HA 0.778 5.259 4.480 0.001 0.000 0.293 49 M C -2.166 174.124 176.300 -0.017 0.000 0.994 49 M CA -0.550 54.758 55.300 0.013 0.000 0.925 49 M CB 1.801 34.397 32.600 -0.007 0.000 1.577 49 M HN 0.899 nan 8.290 nan 0.000 0.439 50 V N 4.528 124.407 119.914 -0.059 0.000 3.001 50 V HA 0.566 4.687 4.120 0.001 0.000 0.314 50 V C -0.937 175.068 176.094 -0.147 0.000 1.099 50 V CA -0.536 61.749 62.300 -0.024 0.000 0.989 50 V CB 2.525 34.416 31.823 0.113 0.000 1.040 50 V HN 0.908 nan 8.190 nan 0.000 0.434 51 D N 2.610 122.861 120.400 -0.248 0.000 2.304 51 D HA 0.332 4.972 4.640 0.001 0.000 0.247 51 D C -0.735 175.260 176.300 -0.508 0.000 1.089 51 D CA 0.032 53.666 54.000 -0.610 0.000 0.910 51 D CB 2.148 42.126 40.800 -1.371 0.000 1.199 51 D HN 0.335 nan 8.370 nan 0.000 0.426 52 V N 3.073 122.652 119.914 -0.558 0.000 2.235 52 V HA 0.093 4.214 4.120 0.001 0.000 0.266 52 V C -0.613 175.335 176.094 -0.242 0.000 1.055 52 V CA -0.837 61.157 62.300 -0.509 0.000 0.844 52 V CB -0.220 31.380 31.823 -0.371 0.000 1.097 52 V HN 0.454 nan 8.190 nan 0.000 0.453 53 W N 2.958 124.307 121.300 0.081 0.000 2.397 53 W HA 0.077 4.738 4.660 0.002 0.000 0.327 53 W C 1.081 177.733 176.519 0.222 0.000 1.421 53 W CA -0.079 57.323 57.345 0.095 0.000 1.288 53 W CB 0.290 29.829 29.460 0.132 0.000 1.312 53 W HN 0.748 nan 8.180 nan 0.000 0.559 54 W N 3.454 124.793 121.300 0.065 0.000 2.350 54 W HA -0.124 4.537 4.660 0.002 0.000 0.289 54 W C 1.892 178.541 176.519 0.216 0.000 1.215 54 W CA 2.066 59.418 57.345 0.013 0.000 1.236 54 W CB -0.684 28.660 29.460 -0.193 0.000 1.130 54 W HN 0.412 nan 8.180 nan 0.000 0.541 55 G N 0.266 109.190 108.800 0.208 0.000 2.534 55 G HA2 -0.135 3.826 3.960 0.001 0.000 0.217 55 G HA3 -0.135 3.826 3.960 0.001 0.000 0.217 55 G C 1.518 176.461 174.900 0.072 0.000 1.128 55 G CA 0.931 46.019 45.100 -0.021 0.000 0.784 55 G HN 0.316 nan 8.290 nan 0.000 0.542 56 L N -0.230 121.133 121.223 0.233 0.000 2.130 56 L HA 0.048 4.389 4.340 0.001 0.000 0.200 56 L C 2.765 179.744 176.870 0.182 0.000 1.075 56 L CA 0.287 55.250 54.840 0.204 0.000 0.768 56 L CB -0.646 41.611 42.059 0.331 0.000 0.933 56 L HN 0.059 nan 8.230 nan 0.000 0.451 57 V N 0.265 120.323 119.914 0.241 0.000 2.251 57 V HA -0.279 3.842 4.120 0.001 0.000 0.230 57 V C 1.815 178.014 176.094 0.175 0.000 1.032 57 V CA 1.641 63.972 62.300 0.052 0.000 0.997 57 V CB -0.486 31.172 31.823 -0.274 0.000 0.643 57 V HN 0.459 nan 8.190 nan 0.000 0.462 58 E N 0.618 121.075 120.200 0.429 0.000 2.385 58 E HA -0.011 4.340 4.350 0.001 0.000 0.201 58 E C 1.750 178.526 176.600 0.293 0.000 1.250 58 E CA 0.410 57.036 56.400 0.377 0.000 1.104 58 E CB -0.531 29.619 29.700 0.750 0.000 1.174 58 E HN 0.599 nan 8.360 nan 0.000 0.461 59 G N 1.145 110.036 108.800 0.151 0.000 2.418 59 G HA2 -0.265 3.696 3.960 0.001 0.000 0.217 59 G HA3 -0.265 3.696 3.960 0.001 0.000 0.217 59 G C 1.413 176.430 174.900 0.196 0.000 1.158 59 G CA 0.366 45.527 45.100 0.101 0.000 0.771 59 G HN 0.252 nan 8.290 nan 0.000 0.545 60 K N 0.257 120.725 120.400 0.112 0.000 2.362 60 K HA 0.184 4.505 4.320 0.001 0.000 0.200 60 K C 0.995 177.590 176.600 -0.008 0.000 1.046 60 K CA 0.547 56.867 56.287 0.055 0.000 0.952 60 K CB 0.052 32.552 32.500 -0.000 0.000 0.753 60 K HN 0.402 nan 8.250 nan 0.000 0.466 61 G N 0.746 109.493 108.800 -0.089 0.000 2.328 61 G HA2 0.080 4.041 3.960 0.001 0.000 0.299 61 G HA3 0.080 4.041 3.960 0.001 0.000 0.299 61 G C -3.259 171.151 174.900 -0.817 0.000 1.435 61 G CA -1.241 43.524 45.100 -0.559 0.000 0.865 61 G HN -0.307 nan 8.290 nan 0.000 0.601 62 P HA 0.132 nan 4.420 nan 0.000 0.258 62 P C 0.265 177.301 177.300 -0.439 0.000 1.172 62 P CA 0.591 63.196 63.100 -0.825 0.000 0.762 62 P CB 0.287 31.560 31.700 -0.712 0.000 0.764 63 K N 0.809 120.988 120.400 -0.368 0.000 3.274 63 K HA -0.246 4.074 4.320 0.001 0.000 0.305 63 K C 0.220 176.337 176.600 -0.805 0.000 1.225 63 K CA 1.078 56.997 56.287 -0.613 0.000 0.904 63 K CB -2.128 30.255 32.500 -0.196 0.000 1.227 63 K HN 0.581 nan 8.250 nan 0.000 0.453 64 A N 1.474 123.933 122.820 -0.601 0.000 3.056 64 A HA 0.348 4.669 4.320 0.001 0.000 0.274 64 A C -0.489 176.897 177.584 -0.330 0.000 1.661 64 A CA -0.308 51.511 52.037 -0.363 0.000 1.363 64 A CB -0.437 18.428 19.000 -0.225 0.000 1.139 64 A HN 0.212 nan 8.150 nan 0.000 0.598 65 Y N 0.628 120.929 120.300 0.002 0.000 2.359 65 Y HA 0.344 4.895 4.550 0.002 0.000 0.334 65 Y C 0.489 176.258 175.900 -0.217 0.000 1.058 65 Y CA -0.808 57.201 58.100 -0.152 0.000 1.244 65 Y CB 0.749 39.152 38.460 -0.095 0.000 1.187 65 Y HN 0.514 nan 8.280 nan 0.000 0.510 66 D N 3.209 123.503 120.400 -0.176 0.000 2.462 66 D HA 0.135 4.776 4.640 0.001 0.000 0.249 66 D C -0.465 175.758 176.300 -0.128 0.000 1.117 66 D CA -0.631 53.318 54.000 -0.086 0.000 0.900 66 D CB 0.054 40.844 40.800 -0.017 0.000 1.039 66 D HN 0.608 nan 8.370 nan 0.000 0.516 67 W N 2.007 123.405 121.300 0.164 0.000 3.180 67 W HA 0.014 4.675 4.660 0.002 0.000 0.254 67 W C 2.191 178.762 176.519 0.087 0.000 1.318 67 W CA -0.344 57.084 57.345 0.140 0.000 1.608 67 W CB 0.232 29.721 29.460 0.049 0.000 1.124 67 W HN 0.268 nan 8.180 nan 0.000 0.694 68 S N 1.183 117.017 115.700 0.223 0.000 2.369 68 S HA -0.317 4.154 4.470 0.001 0.000 0.225 68 S C 2.119 176.764 174.600 0.075 0.000 1.043 68 S CA 1.913 60.193 58.200 0.134 0.000 1.074 68 S CB -0.878 62.379 63.200 0.095 0.000 0.962 68 S HN 0.354 nan 8.310 nan 0.000 0.433 69 A N 0.159 122.985 122.820 0.010 0.000 1.933 69 A HA -0.066 4.255 4.320 0.001 0.000 0.218 69 A C 1.897 179.349 177.584 -0.220 0.000 1.175 69 A CA 1.329 53.324 52.037 -0.071 0.000 0.628 69 A CB -0.827 18.077 19.000 -0.160 0.000 0.814 69 A HN 0.544 nan 8.150 nan 0.000 0.444 70 Y N 0.208 120.471 120.300 -0.061 0.000 2.373 70 Y HA -0.053 4.497 4.550 0.001 0.000 0.293 70 Y C 2.308 177.851 175.900 -0.595 0.000 1.129 70 Y CA 1.252 59.176 58.100 -0.293 0.000 1.226 70 Y CB -0.076 38.340 38.460 -0.072 0.000 1.000 70 Y HN 0.260 nan 8.280 nan 0.000 0.549 71 K N -0.098 120.226 120.400 -0.128 0.000 2.155 71 K HA -0.146 4.175 4.320 0.001 0.000 0.203 71 K C 1.861 178.459 176.600 -0.003 0.000 1.052 71 K CA 1.170 57.423 56.287 -0.057 0.000 0.948 71 K CB -0.091 32.487 32.500 0.130 0.000 0.728 71 K HN 0.479 nan 8.250 nan 0.000 0.448 72 Q N 0.844 120.600 119.800 -0.074 0.000 2.083 72 Q HA -0.068 4.273 4.340 0.001 0.000 0.198 72 Q C 2.234 178.026 176.000 -0.346 0.000 0.969 72 Q CA 0.844 56.598 55.803 -0.081 0.000 0.838 72 Q CB -0.086 28.665 28.738 0.023 0.000 0.900 72 Q HN 0.280 nan 8.270 nan 0.000 0.436 73 L N 0.151 120.962 121.223 -0.687 0.000 1.994 73 L HA -0.160 4.181 4.340 0.001 0.000 0.208 73 L C 1.960 178.753 176.870 -0.128 0.000 1.071 73 L CA 1.366 55.755 54.840 -0.751 0.000 0.745 73 L CB -0.152 41.617 42.059 -0.484 0.000 0.892 73 L HN 0.196 nan 8.230 nan 0.000 0.431 74 F N 0.290 120.032 119.950 -0.346 0.000 2.333 74 F HA -0.141 4.387 4.527 0.001 0.000 0.300 74 F C 2.672 178.323 175.800 -0.248 0.000 1.083 74 F CA 0.535 58.243 58.000 -0.488 0.000 1.395 74 F CB -0.989 37.258 39.000 -1.255 0.000 1.056 74 F HN 0.219 nan 8.300 nan 0.000 0.529 75 E N 0.557 120.849 120.200 0.153 0.000 2.047 75 E HA -0.193 4.158 4.350 0.001 0.000 0.191 75 E C 2.378 179.086 176.600 0.180 0.000 0.987 75 E CA 0.671 57.247 56.400 0.293 0.000 0.799 75 E CB -0.544 29.297 29.700 0.235 0.000 0.752 75 E HN 0.374 nan 8.360 nan 0.000 0.449 76 L N 0.430 121.721 121.223 0.113 0.000 2.012 76 L HA -0.182 4.159 4.340 0.001 0.000 0.210 76 L C 2.428 179.362 176.870 0.106 0.000 1.073 76 L CA 1.255 56.171 54.840 0.127 0.000 0.748 76 L CB -0.391 41.761 42.059 0.154 0.000 0.891 76 L HN -0.070 nan 8.230 nan 0.000 0.431 77 V N -0.387 119.574 119.914 0.079 0.000 2.295 77 V HA -0.360 3.761 4.120 0.001 0.000 0.246 77 V C 2.543 178.674 176.094 0.063 0.000 1.049 77 V CA 2.193 64.523 62.300 0.050 0.000 1.024 77 V CB -0.711 31.104 31.823 -0.013 0.000 0.648 77 V HN 0.657 nan 8.190 nan 0.000 0.447 78 Q N -0.218 119.648 119.800 0.109 0.000 2.124 78 Q HA -0.247 4.094 4.340 0.001 0.000 0.202 78 Q C 2.324 178.391 176.000 0.112 0.000 0.977 78 Q CA 1.728 57.617 55.803 0.144 0.000 0.850 78 Q CB -0.040 28.861 28.738 0.271 0.000 0.901 78 Q HN 0.584 nan 8.270 nan 0.000 0.429 79 K N -0.430 120.038 120.400 0.113 0.000 2.097 79 K HA -0.055 4.265 4.320 0.001 0.000 0.205 79 K C 1.940 178.582 176.600 0.069 0.000 1.050 79 K CA 0.951 57.293 56.287 0.091 0.000 0.938 79 K CB -0.051 32.508 32.500 0.098 0.000 0.718 79 K HN 0.218 nan 8.250 nan 0.000 0.442 80 A N 0.312 123.172 122.820 0.066 0.000 2.121 80 A HA 0.036 4.357 4.320 0.001 0.000 0.218 80 A C 1.445 179.047 177.584 0.031 0.000 1.154 80 A CA 1.328 53.394 52.037 0.049 0.000 0.679 80 A CB -0.433 18.597 19.000 0.050 0.000 0.795 80 A HN 0.467 nan 8.150 nan 0.000 0.458 81 G N -1.754 107.065 108.800 0.031 0.000 2.132 81 G HA2 -0.188 3.773 3.960 0.001 0.000 0.234 81 G HA3 -0.188 3.773 3.960 0.001 0.000 0.234 81 G C 0.013 174.906 174.900 -0.012 0.000 0.989 81 G CA 0.196 45.303 45.100 0.013 0.000 0.676 81 G HN 0.447 nan 8.290 nan 0.000 0.522 82 L N -0.040 121.178 121.223 -0.008 0.000 2.375 82 L HA 0.498 4.839 4.340 0.001 0.000 0.271 82 L C 1.015 177.862 176.870 -0.040 0.000 1.107 82 L CA -0.701 54.115 54.840 -0.041 0.000 0.806 82 L CB 0.882 42.921 42.059 -0.034 0.000 1.146 82 L HN 0.023 nan 8.230 nan 0.000 0.447 83 K N 2.223 122.578 120.400 -0.074 0.000 2.168 83 K HA 0.478 4.799 4.320 0.001 0.000 0.258 83 K C -0.871 175.741 176.600 0.021 0.000 1.010 83 K CA -0.429 55.855 56.287 -0.005 0.000 0.929 83 K CB 0.965 33.484 32.500 0.031 0.000 0.998 83 K HN 0.280 nan 8.250 nan 0.000 0.479 84 L N 2.361 123.600 121.223 0.026 0.000 2.410 84 L HA 0.316 4.657 4.340 0.001 0.000 0.270 84 L C -1.501 175.342 176.870 -0.044 0.000 0.983 84 L CA -0.460 54.346 54.840 -0.057 0.000 0.822 84 L CB 1.934 43.822 42.059 -0.285 0.000 1.285 84 L HN 0.731 nan 8.230 nan 0.000 0.409 85 Q N 3.466 123.246 119.800 -0.033 0.000 2.333 85 Q HA 0.709 5.049 4.340 0.001 0.000 0.265 85 Q C -0.658 175.232 176.000 -0.183 0.000 0.989 85 Q CA -0.549 55.190 55.803 -0.106 0.000 0.842 85 Q CB 2.410 31.072 28.738 -0.126 0.000 1.262 85 Q HN 0.730 nan 8.270 nan 0.000 0.451 86 A N 3.646 126.320 122.820 -0.244 0.000 2.330 86 A HA 0.678 4.999 4.320 0.001 0.000 0.327 86 A C -0.589 176.793 177.584 -0.335 0.000 1.155 86 A CA -0.663 51.197 52.037 -0.294 0.000 0.803 86 A CB 0.639 19.451 19.000 -0.312 0.000 1.208 86 A HN 0.777 nan 8.150 nan 0.000 0.477 87 I N 3.318 123.680 120.570 -0.346 0.000 2.330 87 I HA 0.173 4.343 4.170 0.001 0.000 0.289 87 I C -0.090 175.745 176.117 -0.470 0.000 1.001 87 I CA -0.474 60.606 61.300 -0.366 0.000 1.193 87 I CB 1.481 39.286 38.000 -0.325 0.000 1.345 87 I HN 0.515 nan 8.210 nan 0.000 0.461 88 M N 4.938 124.239 119.600 -0.498 0.000 3.102 88 M HA 0.054 4.534 4.480 0.001 0.000 0.269 88 M C 0.344 176.050 176.300 -0.991 0.000 1.551 88 M CA 0.401 55.285 55.300 -0.692 0.000 1.629 88 M CB -0.808 31.481 32.600 -0.517 0.000 1.324 88 M HN 0.413 nan 8.290 nan 0.000 0.509 89 S N 2.907 118.122 115.700 -0.809 0.000 3.900 89 S HA 0.161 4.632 4.470 0.001 0.000 0.248 89 S C 0.546 174.850 174.600 -0.494 0.000 1.310 89 S CA -0.366 57.437 58.200 -0.662 0.000 0.915 89 S CB -0.772 61.901 63.200 -0.877 0.000 1.588 89 S HN 0.373 nan 8.310 nan 0.000 0.472 90 F N 2.992 122.884 119.950 -0.096 0.000 2.707 90 F HA 0.096 4.624 4.527 0.001 0.000 0.299 90 F C 1.572 177.608 175.800 0.392 0.000 1.259 90 F CA -0.250 57.712 58.000 -0.063 0.000 1.437 90 F CB -0.717 37.944 39.000 -0.565 0.000 1.071 90 F HN 0.524 nan 8.300 nan 0.000 0.518 91 H N -1.636 117.709 119.070 0.458 0.000 2.928 91 H HA 0.370 4.926 4.556 0.001 0.000 0.371 91 H C -0.912 174.686 175.328 0.449 0.000 1.186 91 H CA -1.297 55.039 56.048 0.480 0.000 1.134 91 H CB 0.958 30.943 29.762 0.372 0.000 1.824 91 H HN 0.161 nan 8.280 nan 0.000 0.554 92 Q N 1.032 121.069 119.800 0.394 0.000 2.314 92 Q HA 0.279 4.620 4.340 0.001 0.000 0.258 92 Q C -0.819 175.296 176.000 0.191 0.000 0.954 92 Q CA -0.499 55.418 55.803 0.190 0.000 0.890 92 Q CB 0.734 29.550 28.738 0.131 0.000 1.210 92 Q HN 0.603 nan 8.270 nan 0.000 0.410 93 C N 4.351 123.592 119.300 -0.099 0.000 2.325 93 C HA 0.844 5.305 4.460 0.001 0.000 0.347 93 C C 0.151 175.079 174.990 -0.104 0.000 1.263 93 C CA 1.005 59.930 59.018 -0.156 0.000 1.806 93 C CB -1.079 26.205 27.740 -0.759 0.000 2.405 93 C HN 0.978 nan 8.230 nan 0.000 0.537 94 G N 3.976 112.774 108.800 -0.002 0.000 3.326 94 G HA2 0.485 4.446 3.960 0.001 0.000 0.681 94 G HA3 0.485 4.446 3.960 0.001 0.000 0.681 94 G C 0.271 175.181 174.900 0.016 0.000 1.255 94 G CA 0.171 45.264 45.100 -0.011 0.000 0.976 94 G HN 2.237 nan 8.290 nan 0.000 0.563 95 G N 1.502 110.313 108.800 0.019 0.000 2.797 95 G HA2 -0.092 3.869 3.960 0.001 0.000 0.195 95 G HA3 -0.092 3.869 3.960 0.001 0.000 0.195 95 G C 0.274 175.187 174.900 0.021 0.000 1.026 95 G CA 0.627 45.735 45.100 0.013 0.000 0.759 95 G HN 1.234 nan 8.290 nan 0.000 0.475 96 N N -0.065 118.656 118.700 0.036 0.000 2.538 96 N HA 0.601 5.341 4.740 0.001 0.000 0.292 96 N C -0.134 175.411 175.510 0.060 0.000 1.262 96 N CA -0.405 52.675 53.050 0.050 0.000 0.976 96 N CB 0.989 39.503 38.487 0.044 0.000 1.161 96 N HN 0.111 nan 8.380 nan 0.000 0.598 97 V N 0.145 120.100 119.914 0.067 0.000 2.530 97 V HA 0.413 4.533 4.120 0.001 0.000 0.282 97 V C 1.173 177.285 176.094 0.030 0.000 1.048 97 V CA 1.113 63.438 62.300 0.041 0.000 0.997 97 V CB 0.299 32.137 31.823 0.024 0.000 0.987 97 V HN 0.953 nan 8.190 nan 0.000 0.477 98 G N 4.462 113.275 108.800 0.021 0.000 2.175 98 G HA2 -0.176 3.784 3.960 0.001 0.000 0.244 98 G HA3 -0.176 3.784 3.960 0.001 0.000 0.244 98 G C -0.051 174.874 174.900 0.042 0.000 0.982 98 G CA 0.035 45.148 45.100 0.023 0.000 0.641 98 G HN 0.679 nan 8.290 nan 0.000 0.527 99 D N 0.991 121.418 120.400 0.046 0.000 2.453 99 D HA 0.629 5.270 4.640 0.001 0.000 0.223 99 D C 1.260 177.573 176.300 0.022 0.000 1.183 99 D CA 0.625 54.655 54.000 0.049 0.000 0.933 99 D CB 0.864 41.696 40.800 0.053 0.000 1.038 99 D HN 0.400 nan 8.370 nan 0.000 0.513 100 A N 2.441 125.276 122.820 0.024 0.000 1.911 100 A HA 0.020 4.341 4.320 0.001 0.000 0.212 100 A C 1.133 178.710 177.584 -0.013 0.000 1.189 100 A CA 0.259 52.302 52.037 0.009 0.000 0.639 100 A CB 0.215 19.227 19.000 0.020 0.000 0.839 100 A HN 0.402 nan 8.150 nan 0.000 0.449 101 V N 1.149 121.050 119.914 -0.021 0.000 2.834 101 V HA 0.311 4.432 4.120 0.001 0.000 0.301 101 V C -0.347 175.672 176.094 -0.126 0.000 1.066 101 V CA -0.643 61.616 62.300 -0.068 0.000 1.052 101 V CB 1.382 33.166 31.823 -0.066 0.000 1.021 101 V HN 0.563 nan 8.190 nan 0.000 0.480 102 N N 5.327 123.933 118.700 -0.158 0.000 2.540 102 N HA 0.421 5.162 4.740 0.001 0.000 0.275 102 N C -1.362 174.000 175.510 -0.247 0.000 1.053 102 N CA -0.535 52.408 53.050 -0.178 0.000 0.876 102 N CB 0.993 39.418 38.487 -0.104 0.000 1.284 102 N HN 0.627 nan 8.380 nan 0.000 0.518 103 I N 4.665 125.003 120.570 -0.388 0.000 2.464 103 I HA 0.358 4.528 4.170 0.001 0.000 0.277 103 I C -2.311 173.630 176.117 -0.292 0.000 1.040 103 I CA -1.991 59.045 61.300 -0.439 0.000 1.153 103 I CB 1.599 39.057 38.000 -0.903 0.000 1.274 103 I HN 0.298 nan 8.210 nan 0.000 0.469 104 P HA 0.290 nan 4.420 nan 0.000 0.279 104 P C -0.107 177.148 177.300 -0.074 0.000 1.282 104 P CA -0.444 62.605 63.100 -0.085 0.000 0.788 104 P CB 0.614 32.268 31.700 -0.077 0.000 1.139 105 I N -3.469 117.074 120.570 -0.045 0.000 3.079 105 I HA 0.372 4.543 4.170 0.001 0.000 0.295 105 I C -2.244 173.642 176.117 -0.384 0.000 1.094 105 I CA -2.641 58.564 61.300 -0.159 0.000 1.295 105 I CB -0.915 37.056 38.000 -0.049 0.000 1.443 105 I HN 0.091 nan 8.210 nan 0.000 0.607 106 P HA -0.115 nan 4.420 nan 0.000 0.259 106 P C 0.096 177.097 177.300 -0.497 0.000 1.163 106 P CA 0.576 63.249 63.100 -0.712 0.000 0.760 106 P CB 0.407 31.343 31.700 -1.273 0.000 0.762 107 Q N 4.300 123.976 119.800 -0.206 0.000 2.181 107 Q HA -0.168 4.173 4.340 0.001 0.000 0.205 107 Q C 1.541 177.548 176.000 0.011 0.000 0.980 107 Q CA 1.488 57.254 55.803 -0.062 0.000 0.862 107 Q CB -0.201 28.551 28.738 0.023 0.000 0.905 107 Q HN 0.685 nan 8.270 nan 0.000 0.429 108 W N -0.914 120.373 121.300 -0.022 0.000 2.465 108 W HA -0.019 4.642 4.660 0.001 0.000 0.268 108 W C 1.149 177.709 176.519 0.069 0.000 1.242 108 W CA 0.447 57.822 57.345 0.049 0.000 1.248 108 W CB -0.559 28.947 29.460 0.075 0.000 1.118 108 W HN -0.026 nan 8.180 nan 0.000 0.587 109 V N 2.247 121.791 119.914 -0.617 0.000 2.407 109 V HA -0.164 3.957 4.120 0.001 0.000 0.245 109 V C 2.753 178.793 176.094 -0.090 0.000 1.041 109 V CA 1.737 63.729 62.300 -0.513 0.000 1.040 109 V CB -0.779 30.515 31.823 -0.882 0.000 0.671 109 V HN 0.037 nan 8.190 nan 0.000 0.455 110 R N -0.028 120.436 120.500 -0.060 0.000 2.152 110 R HA -0.152 4.189 4.340 0.001 0.000 0.232 110 R C 1.990 178.397 176.300 0.179 0.000 1.117 110 R CA 1.403 57.604 56.100 0.169 0.000 0.981 110 R CB -0.315 30.033 30.300 0.080 0.000 0.870 110 R HN 0.499 nan 8.270 nan 0.000 0.451 111 D N 0.026 120.502 120.400 0.128 0.000 2.183 111 D HA -0.073 4.568 4.640 0.001 0.000 0.203 111 D C 1.828 178.211 176.300 0.139 0.000 0.969 111 D CA 0.792 54.881 54.000 0.147 0.000 0.842 111 D CB 0.292 41.199 40.800 0.179 0.000 0.957 111 D HN -0.012 nan 8.370 nan 0.000 0.484 112 V N 0.852 120.839 119.914 0.121 0.000 2.343 112 V HA -0.182 3.939 4.120 0.001 0.000 0.247 112 V C 2.603 178.710 176.094 0.021 0.000 1.051 112 V CA 1.917 64.236 62.300 0.032 0.000 1.036 112 V CB -0.924 30.894 31.823 -0.008 0.000 0.654 112 V HN 0.219 nan 8.190 nan 0.000 0.451 113 G N -0.564 108.281 108.800 0.074 0.000 2.450 113 G HA2 -0.267 3.694 3.960 0.001 0.000 0.220 113 G HA3 -0.267 3.694 3.960 0.001 0.000 0.220 113 G C 1.666 176.710 174.900 0.239 0.000 1.130 113 G CA 1.594 46.775 45.100 0.135 0.000 0.760 113 G HN 0.469 nan 8.290 nan 0.000 0.557 114 T N 0.445 115.116 114.554 0.194 0.000 2.720 114 T HA -0.098 4.253 4.350 0.001 0.000 0.268 114 T C 2.556 177.322 174.700 0.110 0.000 1.037 114 T CA 1.346 63.534 62.100 0.147 0.000 1.144 114 T CB -0.115 68.821 68.868 0.114 0.000 0.864 114 T HN 0.314 nan 8.240 nan 0.000 0.444 115 R N 0.603 121.152 120.500 0.082 0.000 2.073 115 R HA 0.057 4.397 4.340 0.001 0.000 0.229 115 R C 0.413 176.744 176.300 0.052 0.000 1.120 115 R CA 0.932 57.065 56.100 0.055 0.000 0.967 115 R CB 0.106 30.426 30.300 0.034 0.000 0.862 115 R HN 0.163 nan 8.270 nan 0.000 0.436 116 D N -0.802 119.624 120.400 0.042 0.000 2.440 116 D HA 0.189 4.830 4.640 0.001 0.000 0.252 116 D C -2.139 174.211 176.300 0.085 0.000 1.180 116 D CA -2.508 51.524 54.000 0.054 0.000 0.894 116 D CB 1.724 42.538 40.800 0.023 0.000 1.111 116 D HN -0.213 nan 8.370 nan 0.000 0.544 117 P HA -0.047 nan 4.420 nan 0.000 0.218 117 P C 0.404 177.866 177.300 0.270 0.000 1.149 117 P CA 0.703 63.957 63.100 0.257 0.000 0.817 117 P CB 0.318 32.148 31.700 0.216 0.000 0.785 118 D N -0.224 120.300 120.400 0.206 0.000 2.379 118 D HA -0.047 4.593 4.640 0.001 0.000 0.243 118 D C 1.463 177.905 176.300 0.236 0.000 1.088 118 D CA 0.611 54.764 54.000 0.255 0.000 0.925 118 D CB -0.167 40.775 40.800 0.235 0.000 0.888 118 D HN 0.395 nan 8.370 nan 0.000 0.529 119 I N -3.872 116.681 120.570 -0.029 0.000 3.860 119 I HA 0.152 4.323 4.170 0.001 0.000 0.319 119 I C -0.081 175.794 176.117 -0.402 0.000 1.279 119 I CA -0.025 61.119 61.300 -0.260 0.000 1.220 119 I CB 0.022 37.780 38.000 -0.403 0.000 1.027 119 I HN -0.333 nan 8.210 nan 0.000 0.428 120 F N 0.084 120.080 119.950 0.078 0.000 2.492 120 F HA 0.519 5.047 4.527 0.001 0.000 0.327 120 F C -0.151 175.715 175.800 0.110 0.000 1.079 120 F CA -1.214 56.820 58.000 0.057 0.000 0.967 120 F CB 0.446 39.522 39.000 0.127 0.000 1.169 120 F HN -0.254 nan 8.300 nan 0.000 0.472 121 Y N 1.008 121.547 120.300 0.400 0.000 2.717 121 Y HA 0.155 4.706 4.550 0.001 0.000 0.330 121 Y C 0.732 176.857 175.900 0.375 0.000 1.217 121 Y CA 0.260 58.574 58.100 0.358 0.000 1.506 121 Y CB -0.048 38.607 38.460 0.325 0.000 1.268 121 Y HN 0.428 nan 8.280 nan 0.000 0.561 122 T N 4.672 119.569 114.554 0.571 0.000 2.792 122 T HA 0.267 4.617 4.350 0.001 0.000 0.280 122 T C -0.508 174.458 174.700 0.444 0.000 0.990 122 T CA -1.109 61.265 62.100 0.457 0.000 0.960 122 T CB 0.660 69.769 68.868 0.401 0.000 0.939 122 T HN 0.538 nan 8.240 nan 0.000 0.439 123 D N 1.805 122.406 120.400 0.336 0.000 2.414 123 D HA 0.287 4.928 4.640 0.001 0.000 0.259 123 D C 1.717 177.887 176.300 -0.216 0.000 1.269 123 D CA -0.425 53.687 54.000 0.186 0.000 1.028 123 D CB -0.066 40.920 40.800 0.311 0.000 1.093 123 D HN 0.473 nan 8.370 nan 0.000 0.545 124 G N -1.634 106.724 108.800 -0.737 0.000 2.450 124 G HA2 -0.259 3.701 3.960 0.001 0.000 0.220 124 G HA3 -0.259 3.701 3.960 0.001 0.000 0.220 124 G C 1.246 175.816 174.900 -0.550 0.000 1.130 124 G CA 0.694 45.069 45.100 -1.209 0.000 0.760 124 G HN 0.632 nan 8.290 nan 0.000 0.557 125 H N 0.165 119.110 119.070 -0.207 0.000 2.502 125 H HA 0.141 4.698 4.556 0.001 0.000 0.283 125 H C 2.113 177.419 175.328 -0.036 0.000 1.015 125 H CA 0.809 56.808 56.048 -0.083 0.000 1.298 125 H CB 0.361 30.108 29.762 -0.026 0.000 1.411 125 H HN 0.471 nan 8.280 nan 0.000 0.556 126 G N 1.390 110.250 108.800 0.100 0.000 2.145 126 G HA2 -0.221 3.740 3.960 0.001 0.000 0.176 126 G HA3 -0.221 3.740 3.960 0.001 0.000 0.176 126 G C -0.091 174.884 174.900 0.124 0.000 1.013 126 G CA 0.103 45.274 45.100 0.119 0.000 0.689 126 G HN 0.289 nan 8.290 nan 0.000 0.506 127 T N 0.819 115.448 114.554 0.125 0.000 2.780 127 T HA 0.537 4.888 4.350 0.001 0.000 0.294 127 T C 0.571 175.357 174.700 0.144 0.000 0.949 127 T CA -0.211 61.916 62.100 0.045 0.000 1.074 127 T CB 1.059 69.853 68.868 -0.124 0.000 0.910 127 T HN 0.320 nan 8.240 nan 0.000 0.501 128 R N 3.166 123.731 120.500 0.108 0.000 2.210 128 R HA 0.254 4.595 4.340 0.001 0.000 0.338 128 R C 0.002 176.387 176.300 0.142 0.000 1.062 128 R CA -0.325 55.877 56.100 0.170 0.000 0.902 128 R CB -0.067 30.303 30.300 0.116 0.000 1.050 128 R HN 0.449 nan 8.270 nan 0.000 0.461 129 N N 3.033 121.911 118.700 0.296 0.000 2.500 129 N HA 0.113 4.854 4.740 0.001 0.000 0.236 129 N C 0.378 175.982 175.510 0.157 0.000 1.022 129 N CA -0.157 53.057 53.050 0.274 0.000 0.935 129 N CB 0.522 39.221 38.487 0.353 0.000 1.147 129 N HN 0.562 nan 8.380 nan 0.000 0.512 130 I N 2.629 123.121 120.570 -0.130 0.000 3.083 130 I HA -0.148 4.023 4.170 0.001 0.000 0.273 130 I C 1.900 178.057 176.117 0.067 0.000 1.297 130 I CA 0.786 61.867 61.300 -0.365 0.000 1.452 130 I CB -0.058 37.677 38.000 -0.442 0.000 1.078 130 I HN 0.718 nan 8.210 nan 0.000 0.484 131 E N -0.838 119.470 120.200 0.181 0.000 2.481 131 E HA -0.128 4.223 4.350 0.001 0.000 0.195 131 E C -0.064 176.802 176.600 0.443 0.000 1.047 131 E CA 0.349 56.907 56.400 0.264 0.000 0.867 131 E CB 0.216 30.038 29.700 0.203 0.000 0.858 131 E HN 0.392 nan 8.360 nan 0.000 0.513 132 Y N -0.170 120.308 120.300 0.296 0.000 2.565 132 Y HA 0.312 4.863 4.550 0.001 0.000 0.330 132 Y C -1.705 174.318 175.900 0.205 0.000 1.150 132 Y CA -1.384 56.879 58.100 0.272 0.000 1.055 132 Y CB 1.300 39.896 38.460 0.227 0.000 1.337 132 Y HN -0.095 nan 8.280 nan 0.000 0.457 133 L N 3.932 124.807 121.223 -0.580 0.000 2.319 133 L HA 0.263 4.604 4.340 0.001 0.000 0.280 133 L C 0.742 177.312 176.870 -0.500 0.000 1.099 133 L CA 0.305 54.883 54.840 -0.435 0.000 0.828 133 L CB 0.736 42.542 42.059 -0.422 0.000 1.150 133 L HN 0.778 nan 8.230 nan 0.000 0.442 134 T N 3.510 117.725 114.554 -0.565 0.000 2.939 134 T HA 0.001 4.352 4.350 0.001 0.000 0.312 134 T C 1.521 175.996 174.700 -0.375 0.000 1.064 134 T CA -0.119 61.454 62.100 -0.878 0.000 1.136 134 T CB 0.208 68.816 68.868 -0.433 0.000 1.035 134 T HN 0.501 nan 8.240 nan 0.000 0.538 135 L N 4.095 125.164 121.223 -0.257 0.000 2.549 135 L HA 0.315 4.656 4.340 0.001 0.000 0.229 135 L C 2.341 179.236 176.870 0.042 0.000 1.158 135 L CA 1.488 56.296 54.840 -0.054 0.000 0.842 135 L CB -0.989 40.913 42.059 -0.260 0.000 0.952 135 L HN 0.689 nan 8.230 nan 0.000 0.452 136 G N 0.818 109.646 108.800 0.046 0.000 2.422 136 G HA2 -0.132 3.829 3.960 0.001 0.000 0.218 136 G HA3 -0.132 3.829 3.960 0.001 0.000 0.218 136 G C 1.311 176.184 174.900 -0.045 0.000 1.140 136 G CA 0.944 46.116 45.100 0.121 0.000 0.775 136 G HN 0.490 nan 8.290 nan 0.000 0.545 137 V N -1.619 118.182 119.914 -0.188 0.000 3.499 137 V HA 0.215 4.336 4.120 0.001 0.000 0.308 137 V C 1.388 177.409 176.094 -0.121 0.000 1.319 137 V CA 0.556 62.679 62.300 -0.296 0.000 1.194 137 V CB -0.026 31.593 31.823 -0.340 0.000 1.072 137 V HN -0.037 nan 8.190 nan 0.000 0.426 138 D N 2.710 123.084 120.400 -0.042 0.000 2.092 138 D HA -0.154 4.487 4.640 0.001 0.000 0.193 138 D C 1.397 177.669 176.300 -0.047 0.000 0.994 138 D CA 2.195 56.187 54.000 -0.015 0.000 0.828 138 D CB -0.244 40.600 40.800 0.074 0.000 0.963 138 D HN 0.662 nan 8.370 nan 0.000 0.450 139 N N 0.005 118.689 118.700 -0.027 0.000 2.320 139 N HA 0.074 4.814 4.740 0.001 0.000 0.237 139 N C -0.641 174.845 175.510 -0.039 0.000 1.129 139 N CA -0.113 52.924 53.050 -0.021 0.000 0.854 139 N CB 0.579 39.072 38.487 0.010 0.000 1.083 139 N HN -0.024 nan 8.380 nan 0.000 0.504 140 Q N 1.326 121.070 119.800 -0.094 0.000 2.347 140 Q HA 0.250 4.591 4.340 0.001 0.000 0.262 140 Q C -2.430 173.494 176.000 -0.126 0.000 0.980 140 Q CA -1.964 53.752 55.803 -0.143 0.000 0.867 140 Q CB 1.713 30.247 28.738 -0.340 0.000 1.242 140 Q HN 0.158 nan 8.270 nan 0.000 0.453 141 P HA 0.111 nan 4.420 nan 0.000 0.231 141 P C -0.210 177.014 177.300 -0.127 0.000 1.811 141 P CA -0.201 62.869 63.100 -0.051 0.000 1.051 141 P CB -0.223 31.468 31.700 -0.015 0.000 1.951 142 L N -2.675 118.358 121.223 -0.316 0.000 3.122 142 L HA 0.512 4.853 4.340 0.001 0.000 0.274 142 L C 0.167 176.575 176.870 -0.770 0.000 1.222 142 L CA -0.066 54.471 54.840 -0.506 0.000 1.028 142 L CB -0.760 40.962 42.059 -0.561 0.000 1.386 142 L HN -0.199 nan 8.230 nan 0.000 0.578 143 F N 1.454 121.361 119.950 -0.072 0.000 2.611 143 F HA 0.430 4.957 4.527 0.001 0.000 0.321 143 F C 0.253 176.096 175.800 0.071 0.000 1.208 143 F CA -0.906 57.078 58.000 -0.026 0.000 1.249 143 F CB -1.147 37.903 39.000 0.082 0.000 1.514 143 F HN 0.286 nan 8.300 nan 0.000 0.561 144 H N -0.488 118.669 119.070 0.146 0.000 2.765 144 H HA -0.102 4.455 4.556 0.001 0.000 0.332 144 H C 1.445 176.815 175.328 0.069 0.000 1.180 144 H CA 0.402 56.501 56.048 0.086 0.000 1.142 144 H CB -1.130 28.677 29.762 0.074 0.000 1.576 144 H HN 0.849 nan 8.280 nan 0.000 0.420 145 G N 0.201 109.071 108.800 0.117 0.000 2.155 145 G HA2 -0.388 3.573 3.960 0.001 0.000 0.257 145 G HA3 -0.388 3.573 3.960 0.001 0.000 0.257 145 G C 0.265 175.220 174.900 0.092 0.000 0.983 145 G CA 0.522 45.669 45.100 0.079 0.000 0.676 145 G HN 0.755 nan 8.290 nan 0.000 0.528 146 R N 0.280 120.864 120.500 0.141 0.000 2.599 146 R HA 0.614 4.955 4.340 0.001 0.000 0.295 146 R C 0.702 177.110 176.300 0.181 0.000 0.963 146 R CA 0.116 56.310 56.100 0.156 0.000 0.883 146 R CB 1.253 31.683 30.300 0.217 0.000 1.171 146 R HN 0.413 nan 8.270 nan 0.000 0.450 147 S N 2.319 118.074 115.700 0.091 0.000 2.669 147 S HA 0.348 4.819 4.470 0.001 0.000 0.270 147 S C 1.161 175.746 174.600 -0.026 0.000 1.225 147 S CA -0.195 58.043 58.200 0.064 0.000 0.991 147 S CB 1.720 64.913 63.200 -0.012 0.000 0.987 147 S HN 0.736 nan 8.310 nan 0.000 0.552 148 A N 0.792 123.533 122.820 -0.131 0.000 1.972 148 A HA -0.014 4.306 4.320 0.001 0.000 0.219 148 A C 2.112 179.122 177.584 -0.956 0.000 1.169 148 A CA 1.611 53.252 52.037 -0.660 0.000 0.635 148 A CB -1.188 17.419 19.000 -0.656 0.000 0.810 148 A HN 1.421 nan 8.150 nan 0.000 0.446 149 V N -0.861 118.788 119.914 -0.442 0.000 3.129 149 V HA -0.138 3.983 4.120 0.001 0.000 0.259 149 V C 1.986 177.967 176.094 -0.189 0.000 1.116 149 V CA 2.094 64.241 62.300 -0.256 0.000 1.127 149 V CB -0.478 31.303 31.823 -0.070 0.000 0.742 149 V HN 0.664 nan 8.190 nan 0.000 0.474 150 Q N -0.609 119.095 119.800 -0.160 0.000 2.083 150 Q HA -0.140 4.201 4.340 0.001 0.000 0.198 150 Q C 2.209 178.183 176.000 -0.044 0.000 0.969 150 Q CA 2.231 58.002 55.803 -0.052 0.000 0.838 150 Q CB -0.165 28.572 28.738 -0.002 0.000 0.900 150 Q HN 0.710 nan 8.270 nan 0.000 0.436 151 M N -0.734 118.775 119.600 -0.152 0.000 2.117 151 M HA -0.214 4.266 4.480 0.001 0.000 0.262 151 M C 1.287 177.505 176.300 -0.136 0.000 1.065 151 M CA 1.464 56.711 55.300 -0.089 0.000 1.114 151 M CB 0.034 32.483 32.600 -0.252 0.000 1.361 151 M HN 0.186 nan 8.290 nan 0.000 0.408 152 Y N -0.312 119.738 120.300 -0.417 0.000 2.242 152 Y HA -0.029 4.522 4.550 0.001 0.000 0.291 152 Y C 2.567 178.334 175.900 -0.221 0.000 1.137 152 Y CA 1.013 58.648 58.100 -0.776 0.000 1.181 152 Y CB -1.442 36.394 38.460 -1.041 0.000 0.989 152 Y HN 0.324 nan 8.280 nan 0.000 0.527 153 A N -0.136 122.711 122.820 0.045 0.000 1.930 153 A HA -0.107 4.213 4.320 0.001 0.000 0.215 153 A C 1.880 179.552 177.584 0.147 0.000 1.176 153 A CA 1.624 53.721 52.037 0.100 0.000 0.632 153 A CB -0.529 18.502 19.000 0.051 0.000 0.819 153 A HN 0.294 nan 8.150 nan 0.000 0.445 154 D N -1.559 118.945 120.400 0.174 0.000 2.178 154 D HA -0.130 4.511 4.640 0.001 0.000 0.202 154 D C 1.600 178.053 176.300 0.255 0.000 0.974 154 D CA 1.242 55.377 54.000 0.226 0.000 0.841 154 D CB -0.396 40.589 40.800 0.309 0.000 0.953 154 D HN 0.604 nan 8.370 nan 0.000 0.478 155 Y N 0.873 121.300 120.300 0.212 0.000 2.224 155 Y HA -0.135 4.415 4.550 0.001 0.000 0.289 155 Y C 2.285 178.320 175.900 0.225 0.000 1.146 155 Y CA 1.425 59.653 58.100 0.213 0.000 1.182 155 Y CB -0.081 38.652 38.460 0.455 0.000 0.983 155 Y HN -0.137 nan 8.280 nan 0.000 0.524 156 M N -1.203 118.669 119.600 0.453 0.000 2.349 156 M HA -0.136 4.344 4.480 0.001 0.000 0.266 156 M C 1.821 178.170 176.300 0.083 0.000 1.076 156 M CA 1.595 57.116 55.300 0.369 0.000 1.126 156 M CB -0.146 32.728 32.600 0.456 0.000 1.392 156 M HN 0.155 nan 8.290 nan 0.000 0.440 157 T N -0.421 114.134 114.554 0.001 0.000 2.746 157 T HA -0.135 4.216 4.350 0.001 0.000 0.267 157 T C 1.919 176.547 174.700 -0.121 0.000 1.039 157 T CA 1.830 63.867 62.100 -0.105 0.000 1.142 157 T CB -0.330 68.523 68.868 -0.026 0.000 0.866 157 T HN 0.371 nan 8.240 nan 0.000 0.444 158 S N 0.536 116.182 115.700 -0.090 0.000 2.399 158 S HA -0.082 4.389 4.470 0.001 0.000 0.231 158 S C 1.713 176.132 174.600 -0.303 0.000 1.022 158 S CA 0.738 58.865 58.200 -0.121 0.000 0.983 158 S CB -0.570 62.456 63.200 -0.290 0.000 0.803 158 S HN 0.471 nan 8.310 nan 0.000 0.480 159 F N 2.757 122.418 119.950 -0.482 0.000 2.186 159 F HA 0.095 4.623 4.527 0.001 0.000 0.299 159 F C 2.456 177.930 175.800 -0.543 0.000 1.090 159 F CA 1.554 59.043 58.000 -0.852 0.000 1.307 159 F CB -0.380 38.360 39.000 -0.433 0.000 1.019 159 F HN 0.112 nan 8.300 nan 0.000 0.489 160 R N 0.631 120.916 120.500 -0.359 0.000 2.066 160 R HA -0.123 4.218 4.340 0.001 0.000 0.232 160 R C 2.019 178.097 176.300 -0.370 0.000 1.131 160 R CA 1.667 57.508 56.100 -0.431 0.000 0.955 160 R CB -0.502 29.467 30.300 -0.552 0.000 0.851 160 R HN 0.266 nan 8.270 nan 0.000 0.432 161 E N 0.793 120.820 120.200 -0.287 0.000 2.058 161 E HA -0.162 4.189 4.350 0.001 0.000 0.194 161 E C 1.741 178.197 176.600 -0.241 0.000 0.997 161 E CA 1.148 57.433 56.400 -0.192 0.000 0.801 161 E CB -0.410 29.225 29.700 -0.108 0.000 0.746 161 E HN 0.506 nan 8.360 nan 0.000 0.450 162 N N -0.096 118.372 118.700 -0.386 0.000 2.354 162 N HA -0.028 4.712 4.740 0.001 0.000 0.179 162 N C 1.277 176.543 175.510 -0.406 0.000 1.021 162 N CA 0.664 53.474 53.050 -0.400 0.000 0.887 162 N CB 0.125 38.247 38.487 -0.608 0.000 0.974 162 N HN 0.135 nan 8.380 nan 0.000 0.437 163 M N 0.496 119.768 119.600 -0.547 0.000 2.383 163 M HA 0.120 4.601 4.480 0.001 0.000 0.247 163 M C 1.589 177.813 176.300 -0.127 0.000 1.117 163 M CA -0.007 55.120 55.300 -0.287 0.000 0.995 163 M CB -0.071 32.101 32.600 -0.714 0.000 1.480 163 M HN 0.000 nan 8.290 nan 0.000 0.485 164 K N 1.816 122.099 120.400 -0.196 0.000 2.107 164 K HA -0.243 4.078 4.320 0.001 0.000 0.211 164 K C 1.279 177.834 176.600 -0.076 0.000 1.049 164 K CA 2.349 58.578 56.287 -0.097 0.000 0.927 164 K CB 0.049 32.509 32.500 -0.066 0.000 0.714 164 K HN 0.440 nan 8.250 nan 0.000 0.452 165 D N -0.175 120.097 120.400 -0.214 0.000 2.149 165 D HA -0.203 4.438 4.640 0.001 0.000 0.198 165 D C 1.778 177.926 176.300 -0.253 0.000 0.990 165 D CA 1.354 55.182 54.000 -0.285 0.000 0.839 165 D CB -0.764 39.760 40.800 -0.459 0.000 0.948 165 D HN 0.274 nan 8.370 nan 0.000 0.460 166 F N 0.630 120.583 119.950 0.005 0.000 2.293 166 F HA 0.167 4.694 4.527 0.001 0.000 0.297 166 F C 2.522 178.339 175.800 0.027 0.000 1.089 166 F CA 0.298 58.319 58.000 0.034 0.000 1.377 166 F CB -0.516 38.532 39.000 0.080 0.000 1.051 166 F HN -0.119 nan 8.300 nan 0.000 0.511 167 L N -0.440 120.889 121.223 0.177 0.000 2.376 167 L HA -0.117 4.224 4.340 0.001 0.000 0.219 167 L C 1.662 178.669 176.870 0.229 0.000 1.133 167 L CA 0.760 55.691 54.840 0.151 0.000 0.816 167 L CB -0.399 41.652 42.059 -0.012 0.000 0.933 167 L HN 0.094 nan 8.230 nan 0.000 0.449 168 D N 0.149 120.651 120.400 0.171 0.000 2.197 168 D HA -0.016 4.625 4.640 0.001 0.000 0.212 168 D C 2.188 178.549 176.300 0.102 0.000 0.963 168 D CA 1.241 55.327 54.000 0.143 0.000 0.864 168 D CB 0.187 41.037 40.800 0.083 0.000 1.009 168 D HN 0.215 nan 8.370 nan 0.000 0.479 169 A N 0.301 123.171 122.820 0.084 0.000 2.172 169 A HA 0.241 4.562 4.320 0.001 0.000 0.216 169 A C 1.625 179.272 177.584 0.104 0.000 1.154 169 A CA 1.465 53.549 52.037 0.079 0.000 0.701 169 A CB -0.424 18.618 19.000 0.070 0.000 0.789 169 A HN 0.310 nan 8.150 nan 0.000 0.465 170 G N -1.879 106.996 108.800 0.126 0.000 2.204 170 G HA2 -0.179 3.782 3.960 0.001 0.000 0.244 170 G HA3 -0.179 3.782 3.960 0.001 0.000 0.244 170 G C 0.579 175.550 174.900 0.118 0.000 1.062 170 G CA 0.291 45.467 45.100 0.126 0.000 0.798 170 G HN 0.596 nan 8.290 nan 0.000 0.496 171 V N 0.057 120.051 119.914 0.132 0.000 2.492 171 V HA 0.247 4.368 4.120 0.001 0.000 0.241 171 V C 1.761 177.882 176.094 0.045 0.000 1.041 171 V CA 1.332 63.692 62.300 0.101 0.000 1.057 171 V CB -0.001 31.925 31.823 0.173 0.000 0.711 171 V HN 0.496 nan 8.190 nan 0.000 0.468 172 I N 1.928 122.530 120.570 0.053 0.000 2.322 172 I HA 0.102 4.273 4.170 0.001 0.000 0.292 172 I C 0.898 177.044 176.117 0.049 0.000 1.060 172 I CA 0.045 61.343 61.300 -0.003 0.000 1.309 172 I CB 1.240 39.248 38.000 0.014 0.000 1.415 172 I HN 0.111 nan 8.210 nan 0.000 0.492 173 V N 0.838 120.781 119.914 0.048 0.000 3.661 173 V HA 0.313 4.433 4.120 0.001 0.000 0.271 173 V C 0.042 176.161 176.094 0.042 0.000 1.315 173 V CA 0.198 62.549 62.300 0.085 0.000 1.072 173 V CB 0.062 31.976 31.823 0.152 0.000 0.830 173 V HN 0.770 nan 8.190 nan 0.000 0.443 174 D N -0.327 120.051 120.400 -0.036 0.000 2.966 174 D HA 0.541 5.182 4.640 0.001 0.000 0.222 174 D C -1.486 174.689 176.300 -0.208 0.000 1.292 174 D CA -0.281 53.656 54.000 -0.105 0.000 0.907 174 D CB 1.969 42.720 40.800 -0.082 0.000 1.621 174 D HN 0.057 nan 8.370 nan 0.000 0.557 175 I N 2.958 123.346 120.570 -0.303 0.000 2.336 175 I HA 0.263 4.434 4.170 0.001 0.000 0.292 175 I C -0.076 175.846 176.117 -0.325 0.000 0.991 175 I CA -0.296 60.747 61.300 -0.428 0.000 1.227 175 I CB 1.710 39.237 38.000 -0.788 0.000 1.366 175 I HN 0.317 nan 8.210 nan 0.000 0.466 176 E N 6.202 126.224 120.200 -0.296 0.000 2.376 176 E HA 0.179 4.530 4.350 0.001 0.000 0.236 176 E C -0.653 175.812 176.600 -0.225 0.000 0.962 176 E CA -0.580 55.681 56.400 -0.230 0.000 0.768 176 E CB 1.787 31.362 29.700 -0.208 0.000 1.236 176 E HN 0.413 nan 8.360 nan 0.000 0.431 177 V N 2.599 122.401 119.914 -0.186 0.000 2.434 177 V HA 0.188 4.309 4.120 0.001 0.000 0.281 177 V C 0.515 176.546 176.094 -0.104 0.000 1.005 177 V CA 0.136 62.364 62.300 -0.120 0.000 1.089 177 V CB 0.038 31.827 31.823 -0.058 0.000 0.978 177 V HN 0.613 nan 8.190 nan 0.000 0.474 178 G N 6.362 115.100 108.800 -0.104 0.000 2.442 178 G HA2 0.447 4.408 3.960 0.001 0.000 0.249 178 G HA3 0.447 4.408 3.960 0.001 0.000 0.249 178 G C 0.087 174.967 174.900 -0.033 0.000 1.263 178 G CA -0.537 44.514 45.100 -0.080 0.000 0.846 178 G HN 0.746 nan 8.290 nan 0.000 0.555 179 L N 1.760 122.893 121.223 -0.150 0.000 3.298 179 L HA 0.395 4.736 4.340 0.001 0.000 0.296 179 L C 0.985 177.548 176.870 -0.512 0.000 1.237 179 L CA 0.448 55.213 54.840 -0.126 0.000 1.038 179 L CB -0.474 41.558 42.059 -0.045 0.000 1.423 179 L HN 0.812 nan 8.230 nan 0.000 0.605 180 G N -0.554 107.677 108.800 -0.949 0.000 2.427 180 G HA2 0.431 4.392 3.960 0.001 0.000 0.306 180 G HA3 0.431 4.392 3.960 0.001 0.000 0.306 180 G C -3.188 171.194 174.900 -0.864 0.000 1.280 180 G CA -0.634 43.677 45.100 -1.315 0.000 0.837 180 G HN -0.253 nan 8.290 nan 0.000 0.482 181 P HA 0.331 nan 4.420 nan 0.000 0.264 181 P C 0.743 177.779 177.300 -0.439 0.000 1.183 181 P CA 1.914 64.823 63.100 -0.317 0.000 0.763 181 P CB 1.163 32.708 31.700 -0.259 0.000 0.807 182 A N 3.488 126.026 122.820 -0.470 0.000 3.100 182 A HA -0.129 4.192 4.320 0.001 0.000 0.268 182 A C 1.436 178.556 177.584 -0.774 0.000 1.227 182 A CA 1.604 53.375 52.037 -0.443 0.000 0.967 182 A CB -2.468 16.436 19.000 -0.159 0.000 1.066 182 A HN 1.134 nan 8.150 nan 0.000 0.787 183 G N -1.881 106.219 108.800 -1.167 0.000 2.149 183 G HA2 -0.099 3.862 3.960 0.001 0.000 0.235 183 G HA3 -0.099 3.862 3.960 0.001 0.000 0.235 183 G C -0.413 174.281 174.900 -0.343 0.000 1.018 183 G CA 0.758 45.483 45.100 -0.626 0.000 0.728 183 G HN 1.308 nan 8.290 nan 0.000 0.508 184 E N -0.731 119.256 120.200 -0.354 0.000 2.195 184 E HA 0.532 4.882 4.350 0.001 0.000 0.271 184 E C -0.113 176.367 176.600 -0.199 0.000 0.923 184 E CA -1.283 54.998 56.400 -0.198 0.000 0.790 184 E CB 2.067 31.695 29.700 -0.120 0.000 1.155 184 E HN 0.161 nan 8.360 nan 0.000 0.402 185 L N 4.668 125.842 121.223 -0.081 0.000 2.623 185 L HA 0.136 4.477 4.340 0.001 0.000 0.281 185 L C -0.318 176.493 176.870 -0.098 0.000 1.150 185 L CA 0.922 55.718 54.840 -0.074 0.000 0.965 185 L CB -1.348 40.733 42.059 0.036 0.000 1.303 185 L HN 0.674 nan 8.230 nan 0.000 0.467 186 R N 2.503 122.808 120.500 -0.324 0.000 3.000 186 R HA 0.392 4.733 4.340 0.001 0.000 0.280 186 R C -1.633 174.326 176.300 -0.569 0.000 0.950 186 R CA -1.018 54.828 56.100 -0.423 0.000 0.822 186 R CB 0.220 30.360 30.300 -0.267 0.000 1.445 186 R HN 0.137 nan 8.270 nan 0.000 0.492 187 Y N 0.114 120.114 120.300 -0.501 0.000 2.496 187 Y HA 0.493 5.044 4.550 0.001 0.000 0.331 187 Y C -1.786 173.842 175.900 -0.453 0.000 1.140 187 Y CA -2.371 55.368 58.100 -0.601 0.000 1.166 187 Y CB 1.698 39.836 38.460 -0.536 0.000 1.249 187 Y HN 0.430 nan 8.280 nan 0.000 0.479 188 P HA 0.036 nan 4.420 nan 0.000 0.218 188 P C 0.163 177.367 177.300 -0.160 0.000 1.793 188 P CA 0.134 63.088 63.100 -0.244 0.000 0.941 188 P CB -0.152 31.491 31.700 -0.096 0.000 1.919 189 S N -0.068 115.545 115.700 -0.145 0.000 2.453 189 S HA -0.122 4.349 4.470 0.001 0.000 0.231 189 S C 0.698 175.315 174.600 0.028 0.000 1.005 189 S CA 0.261 58.480 58.200 0.032 0.000 0.949 189 S CB -1.060 62.181 63.200 0.068 0.000 0.774 189 S HN 0.412 nan 8.310 nan 0.000 0.510 190 Y N 0.206 120.262 120.300 -0.407 0.000 2.662 190 Y HA 0.700 5.251 4.550 0.001 0.000 0.358 190 Y C -3.334 172.119 175.900 -0.745 0.000 1.041 190 Y CA -3.685 53.750 58.100 -1.108 0.000 1.184 190 Y CB 0.459 37.973 38.460 -1.576 0.000 1.114 190 Y HN -0.013 nan 8.280 nan 0.000 0.650 191 P HA 0.248 nan 4.420 nan 0.000 0.294 191 P C -0.048 177.225 177.300 -0.045 0.000 1.389 191 P CA -0.336 62.578 63.100 -0.310 0.000 0.875 191 P CB 1.932 33.300 31.700 -0.554 0.000 1.018 192 Q N 1.153 121.042 119.800 0.149 0.000 2.234 192 Q HA -0.112 4.229 4.340 0.001 0.000 0.206 192 Q C 1.679 177.733 176.000 0.091 0.000 0.980 192 Q CA 1.681 57.630 55.803 0.243 0.000 0.869 192 Q CB -0.310 28.553 28.738 0.209 0.000 0.912 192 Q HN 0.491 nan 8.270 nan 0.000 0.436 193 S N 0.488 116.196 115.700 0.013 0.000 2.356 193 S HA -0.132 4.339 4.470 0.001 0.000 0.223 193 S C 1.141 175.835 174.600 0.157 0.000 1.032 193 S CA 1.138 59.365 58.200 0.045 0.000 1.005 193 S CB -0.229 62.967 63.200 -0.007 0.000 0.867 193 S HN 0.476 nan 8.310 nan 0.000 0.449 194 H N 0.888 119.906 119.070 -0.087 0.000 2.592 194 H HA 0.410 4.966 4.556 0.001 0.000 0.291 194 H C 1.339 176.563 175.328 -0.174 0.000 1.052 194 H CA -0.544 55.415 56.048 -0.149 0.000 1.175 194 H CB -0.825 28.799 29.762 -0.230 0.000 1.378 194 H HN 0.466 nan 8.280 nan 0.000 0.576 195 G N 0.668 109.482 108.800 0.023 0.000 2.289 195 G HA2 -0.252 3.709 3.960 0.001 0.000 0.280 195 G HA3 -0.252 3.709 3.960 0.001 0.000 0.280 195 G C -0.191 174.725 174.900 0.026 0.000 1.089 195 G CA 0.294 45.401 45.100 0.012 0.000 0.939 195 G HN 0.553 nan 8.290 nan 0.000 0.499 196 W N 0.940 122.153 121.300 -0.145 0.000 2.578 196 W HA 0.776 5.437 4.660 0.001 0.000 0.346 196 W C -0.123 176.395 176.519 -0.001 0.000 1.075 196 W CA -0.344 56.964 57.345 -0.062 0.000 1.233 196 W CB 1.822 31.223 29.460 -0.097 0.000 1.358 196 W HN 0.430 nan 8.180 nan 0.000 0.574 197 S N 4.582 119.515 115.700 -1.278 0.000 2.536 197 S HA 0.368 4.839 4.470 0.001 0.000 0.271 197 S C -1.297 172.313 174.600 -1.651 0.000 1.134 197 S CA -0.798 56.643 58.200 -1.264 0.000 0.897 197 S CB 1.227 64.105 63.200 -0.537 0.000 1.094 197 S HN 0.498 nan 8.310 nan 0.000 0.473 198 F N 5.269 124.279 119.950 -1.566 0.000 2.529 198 F HA 0.403 4.931 4.527 0.001 0.000 0.365 198 F C -1.439 174.022 175.800 -0.565 0.000 1.102 198 F CA -1.130 56.269 58.000 -1.001 0.000 1.271 198 F CB 0.808 39.338 39.000 -0.784 0.000 1.120 198 F HN 0.360 nan 8.300 nan 0.000 0.579 199 P HA 0.216 nan 4.420 nan 0.000 0.262 199 P C 0.189 177.430 177.300 -0.097 0.000 1.651 199 P CA -0.111 62.273 63.100 -1.193 0.000 1.119 199 P CB -0.035 30.790 31.700 -1.459 0.000 1.552 200 G N 1.818 110.639 108.800 0.036 0.000 2.614 200 G HA2 -0.064 3.897 3.960 0.001 0.000 0.229 200 G HA3 -0.064 3.897 3.960 0.001 0.000 0.229 200 G C 1.109 176.476 174.900 0.779 0.000 1.232 200 G CA -0.181 45.162 45.100 0.404 0.000 0.857 200 G HN 0.304 nan 8.290 nan 0.000 0.560 201 I N 0.309 121.135 120.570 0.426 0.000 2.676 201 I HA 0.333 4.504 4.170 0.001 0.000 0.259 201 I C 1.442 177.655 176.117 0.160 0.000 1.194 201 I CA 0.625 62.020 61.300 0.159 0.000 1.473 201 I CB -0.875 36.924 38.000 -0.335 0.000 1.096 201 I HN 1.112 nan 8.210 nan 0.000 0.443 202 G N 1.018 110.022 108.800 0.340 0.000 2.698 202 G HA2 -0.146 3.815 3.960 0.001 0.000 0.225 202 G HA3 -0.146 3.815 3.960 0.001 0.000 0.225 202 G C -0.665 174.171 174.900 -0.107 0.000 1.345 202 G CA -0.233 45.032 45.100 0.276 0.000 0.871 202 G HN 0.504 nan 8.290 nan 0.000 0.540 203 E N -1.465 118.584 120.200 -0.251 0.000 2.423 203 E HA 0.598 4.949 4.350 0.001 0.000 0.269 203 E C -1.170 175.214 176.600 -0.361 0.000 0.948 203 E CA -0.884 55.255 56.400 -0.435 0.000 0.802 203 E CB 1.499 30.837 29.700 -0.604 0.000 1.339 203 E HN 0.248 nan 8.360 nan 0.000 0.445 204 F N 1.613 121.477 119.950 -0.143 0.000 2.421 204 F HA 0.202 4.729 4.527 0.001 0.000 0.358 204 F C 0.446 176.271 175.800 0.043 0.000 1.115 204 F CA -0.583 57.289 58.000 -0.213 0.000 1.160 204 F CB 0.494 39.259 39.000 -0.392 0.000 1.123 204 F HN 0.186 nan 8.300 nan 0.000 0.508 205 I N 4.755 125.481 120.570 0.260 0.000 2.191 205 I HA 0.093 4.263 4.170 0.001 0.000 0.289 205 I C 0.439 176.784 176.117 0.379 0.000 1.141 205 I CA -0.113 61.381 61.300 0.323 0.000 1.430 205 I CB -0.599 37.527 38.000 0.210 0.000 1.497 205 I HN 0.722 nan 8.210 nan 0.000 0.636 206 C N 0.195 119.734 119.300 0.398 0.000 3.304 206 C HA 0.352 4.813 4.460 0.001 0.000 0.264 206 C C 0.838 175.989 174.990 0.269 0.000 2.233 206 C CA -0.528 58.676 59.018 0.309 0.000 1.661 206 C CB -1.545 26.305 27.740 0.183 0.000 3.383 206 C HN 0.517 nan 8.230 nan 0.000 0.427 207 Y N 2.449 122.973 120.300 0.375 0.000 2.482 207 Y HA 0.152 4.703 4.550 0.001 0.000 0.270 207 Y C 1.189 177.299 175.900 0.350 0.000 1.152 207 Y CA 0.211 58.559 58.100 0.414 0.000 1.292 207 Y CB -0.305 38.332 38.460 0.295 0.000 1.070 207 Y HN 0.592 nan 8.280 nan 0.000 0.528 208 D N 0.229 120.910 120.400 0.468 0.000 2.400 208 D HA -0.029 4.612 4.640 0.001 0.000 0.238 208 D C 1.153 177.600 176.300 0.246 0.000 1.157 208 D CA -0.281 53.928 54.000 0.349 0.000 0.889 208 D CB 0.749 41.769 40.800 0.367 0.000 1.199 208 D HN 0.307 nan 8.370 nan 0.000 0.436 209 K N 0.475 120.917 120.400 0.069 0.000 2.360 209 K HA -0.272 4.049 4.320 0.001 0.000 0.201 209 K C 0.963 177.446 176.600 -0.196 0.000 1.046 209 K CA 1.103 57.328 56.287 -0.102 0.000 0.940 209 K CB -0.402 31.948 32.500 -0.249 0.000 0.748 209 K HN 0.535 nan 8.250 nan 0.000 0.465 210 Y N 1.297 121.696 120.300 0.166 0.000 2.176 210 Y HA 0.011 4.562 4.550 0.001 0.000 0.291 210 Y C 2.140 178.189 175.900 0.248 0.000 1.122 210 Y CA 0.891 59.089 58.100 0.163 0.000 1.128 210 Y CB -0.219 38.313 38.460 0.120 0.000 1.005 210 Y HN -0.099 nan 8.280 nan 0.000 0.509 211 L N -0.389 121.114 121.223 0.465 0.000 2.156 211 L HA -0.176 4.164 4.340 0.001 0.000 0.208 211 L C 2.440 179.689 176.870 0.632 0.000 1.095 211 L CA 1.098 56.304 54.840 0.609 0.000 0.770 211 L CB -0.487 41.962 42.059 0.650 0.000 0.914 211 L HN 0.259 nan 8.230 nan 0.000 0.439 212 Q N 0.090 120.143 119.800 0.422 0.000 2.226 212 Q HA -0.198 4.143 4.340 0.001 0.000 0.204 212 Q C 2.046 178.122 176.000 0.126 0.000 0.975 212 Q CA 1.596 57.542 55.803 0.239 0.000 0.866 212 Q CB 0.083 28.915 28.738 0.157 0.000 0.915 212 Q HN 0.543 nan 8.270 nan 0.000 0.440 213 A N -0.234 122.690 122.820 0.172 0.000 2.115 213 A HA -0.058 4.263 4.320 0.001 0.000 0.211 213 A C 1.533 179.234 177.584 0.196 0.000 1.169 213 A CA 0.845 52.958 52.037 0.127 0.000 0.787 213 A CB -0.083 18.965 19.000 0.081 0.000 0.858 213 A HN 0.446 nan 8.150 nan 0.000 0.474 214 D N -0.388 120.217 120.400 0.342 0.000 2.084 214 D HA -0.194 4.447 4.640 0.001 0.000 0.194 214 D C 1.633 178.142 176.300 0.349 0.000 0.990 214 D CA 1.536 55.785 54.000 0.415 0.000 0.826 214 D CB -0.380 40.792 40.800 0.621 0.000 0.971 214 D HN 0.304 nan 8.370 nan 0.000 0.453 215 F N 1.241 121.232 119.950 0.068 0.000 2.069 215 F HA -0.176 4.352 4.527 0.001 0.000 0.298 215 F C 2.109 177.766 175.800 -0.238 0.000 1.113 215 F CA 1.557 59.219 58.000 -0.564 0.000 1.214 215 F CB -0.109 38.248 39.000 -1.072 0.000 0.978 215 F HN -0.146 nan 8.300 nan 0.000 0.474 216 K N 0.623 121.013 120.400 -0.017 0.000 2.152 216 K HA -0.120 4.201 4.320 0.001 0.000 0.206 216 K C 2.250 178.795 176.600 -0.092 0.000 1.048 216 K CA 1.194 57.434 56.287 -0.078 0.000 0.933 216 K CB -1.126 31.364 32.500 -0.017 0.000 0.721 216 K HN 0.417 nan 8.250 nan 0.000 0.447 217 A N 1.161 123.966 122.820 -0.025 0.000 1.930 217 A HA -0.034 4.286 4.320 0.001 0.000 0.217 217 A C 2.369 179.948 177.584 -0.009 0.000 1.175 217 A CA 1.844 53.882 52.037 0.002 0.000 0.627 217 A CB -0.471 18.564 19.000 0.057 0.000 0.815 217 A HN 0.283 nan 8.150 nan 0.000 0.443 218 A N -0.271 122.532 122.820 -0.028 0.000 1.969 218 A HA 0.250 4.571 4.320 0.001 0.000 0.218 218 A C 2.409 180.060 177.584 0.110 0.000 1.169 218 A CA 1.738 53.794 52.037 0.033 0.000 0.635 218 A CB -0.765 18.230 19.000 -0.010 0.000 0.810 218 A HN 0.927 nan 8.150 nan 0.000 0.445 219 A N -0.067 122.677 122.820 -0.127 0.000 1.898 219 A HA 0.222 4.543 4.320 0.001 0.000 0.216 219 A C 2.432 179.922 177.584 -0.158 0.000 1.181 219 A CA 1.803 53.755 52.037 -0.140 0.000 0.620 219 A CB -0.886 17.939 19.000 -0.290 0.000 0.819 219 A HN 1.009 nan 8.150 nan 0.000 0.442 220 A N -0.418 122.328 122.820 -0.124 0.000 2.066 220 A HA 0.315 4.636 4.320 0.001 0.000 0.218 220 A C 2.346 179.868 177.584 -0.103 0.000 1.157 220 A CA 1.532 53.492 52.037 -0.129 0.000 0.670 220 A CB -0.714 18.231 19.000 -0.091 0.000 0.804 220 A HN 0.933 nan 8.150 nan 0.000 0.453 221 A N 0.046 122.843 122.820 -0.039 0.000 1.933 221 A HA 0.006 4.327 4.320 0.001 0.000 0.218 221 A C 1.907 179.476 177.584 -0.024 0.000 1.175 221 A CA 1.758 53.794 52.037 -0.001 0.000 0.628 221 A CB -0.902 18.140 19.000 0.070 0.000 0.814 221 A HN 1.151 nan 8.150 nan 0.000 0.444 222 V N -3.737 116.146 119.914 -0.053 0.000 3.499 222 V HA 0.556 4.676 4.120 0.001 0.000 0.308 222 V C 1.200 177.133 176.094 -0.269 0.000 1.319 222 V CA 0.616 62.850 62.300 -0.109 0.000 1.194 222 V CB -0.922 30.839 31.823 -0.103 0.000 1.072 222 V HN 1.435 nan 8.190 nan 0.000 0.426 223 G N 0.582 109.204 108.800 -0.297 0.000 2.179 223 G HA2 -0.259 3.702 3.960 0.001 0.000 0.260 223 G HA3 -0.259 3.702 3.960 0.001 0.000 0.260 223 G C 0.208 174.711 174.900 -0.663 0.000 0.977 223 G CA 0.496 45.334 45.100 -0.438 0.000 0.641 223 G HN 0.698 nan 8.290 nan 0.000 0.533 224 H N 0.868 119.566 119.070 -0.620 0.000 2.375 224 H HA 0.222 4.779 4.556 0.001 0.000 0.230 224 H C -1.265 173.745 175.328 -0.530 0.000 1.511 224 H CA -0.806 54.734 56.048 -0.846 0.000 1.215 224 H CB 1.171 29.784 29.762 -1.915 0.000 1.580 224 H HN 0.298 nan 8.280 nan 0.000 0.537 225 P HA -0.235 nan 4.420 nan 0.000 0.216 225 P C 1.511 178.774 177.300 -0.063 0.000 1.150 225 P CA 1.258 64.277 63.100 -0.134 0.000 0.843 225 P CB 0.415 32.043 31.700 -0.121 0.000 0.787 226 E N -1.139 119.013 120.200 -0.081 0.000 2.171 226 E HA -0.192 4.158 4.350 0.001 0.000 0.197 226 E C 0.484 177.167 176.600 0.137 0.000 0.997 226 E CA 0.658 57.056 56.400 -0.003 0.000 0.810 226 E CB -1.182 28.500 29.700 -0.030 0.000 0.738 226 E HN 0.216 nan 8.360 nan 0.000 0.467 227 W N 2.263 123.552 121.300 -0.019 0.000 2.257 227 W HA 0.147 4.807 4.660 0.001 0.000 0.337 227 W C 0.649 177.225 176.519 0.095 0.000 1.321 227 W CA -0.093 57.261 57.345 0.015 0.000 1.267 227 W CB 0.235 29.694 29.460 -0.001 0.000 1.187 227 W HN 0.075 nan 8.180 nan 0.000 0.565 228 E N 0.552 120.873 120.200 0.202 0.000 2.447 228 E HA 0.487 4.838 4.350 0.001 0.000 0.251 228 E C -0.743 175.690 176.600 -0.279 0.000 0.910 228 E CA -0.843 55.520 56.400 -0.061 0.000 0.841 228 E CB 0.679 30.308 29.700 -0.119 0.000 1.403 228 E HN -0.078 nan 8.360 nan 0.000 0.400 229 F N 0.990 120.613 119.950 -0.545 0.000 2.406 229 F HA 0.282 4.810 4.527 0.001 0.000 0.327 229 F C -1.672 173.667 175.800 -0.769 0.000 1.153 229 F CA -2.590 54.859 58.000 -0.919 0.000 1.218 229 F CB -0.440 38.046 39.000 -0.856 0.000 1.215 229 F HN 0.134 nan 8.300 nan 0.000 0.570 230 P HA -0.030 nan 4.420 nan 0.000 0.256 230 P C 0.594 177.665 177.300 -0.380 0.000 1.189 230 P CA 0.275 62.942 63.100 -0.722 0.000 0.808 230 P CB 0.077 30.967 31.700 -1.350 0.000 0.793 231 N N 2.888 121.456 118.700 -0.220 0.000 2.270 231 N HA -0.148 4.593 4.740 0.001 0.000 0.181 231 N C 0.429 175.875 175.510 -0.107 0.000 1.016 231 N CA 1.271 54.246 53.050 -0.126 0.000 0.870 231 N CB -0.370 38.066 38.487 -0.084 0.000 0.979 231 N HN 0.302 nan 8.380 nan 0.000 0.431 232 D N -0.307 120.033 120.400 -0.101 0.000 2.358 232 D HA 0.238 4.879 4.640 0.001 0.000 0.224 232 D C 0.885 177.161 176.300 -0.039 0.000 1.123 232 D CA -0.179 53.796 54.000 -0.042 0.000 0.833 232 D CB 0.068 40.875 40.800 0.012 0.000 0.946 232 D HN 0.352 nan 8.370 nan 0.000 0.505 233 A N 0.073 122.801 122.820 -0.155 0.000 2.278 233 A HA 0.577 4.898 4.320 0.001 0.000 0.212 233 A C 1.526 179.121 177.584 0.018 0.000 1.213 233 A CA 0.299 52.248 52.037 -0.147 0.000 0.840 233 A CB -0.760 18.074 19.000 -0.277 0.000 0.866 233 A HN 0.514 nan 8.150 nan 0.000 0.489 234 G N -0.738 108.058 108.800 -0.007 0.000 2.528 234 G HA2 -0.146 3.815 3.960 0.001 0.000 0.262 234 G HA3 -0.146 3.815 3.960 0.001 0.000 0.262 234 G C -0.459 174.417 174.900 -0.039 0.000 1.200 234 G CA 0.206 45.309 45.100 0.005 0.000 0.951 234 G HN 0.716 nan 8.290 nan 0.000 0.566 235 Q N -1.681 118.112 119.800 -0.012 0.000 2.605 235 Q HA 0.555 4.895 4.340 0.001 0.000 0.296 235 Q C 0.799 176.817 176.000 0.030 0.000 1.056 235 Q CA -0.879 54.910 55.803 -0.023 0.000 0.778 235 Q CB 0.501 29.296 28.738 0.094 0.000 1.497 235 Q HN 0.539 nan 8.270 nan 0.000 0.443 236 Y N 0.939 121.352 120.300 0.188 0.000 2.102 236 Y HA -0.225 4.326 4.550 0.001 0.000 0.280 236 Y C 1.564 177.660 175.900 0.326 0.000 1.178 236 Y CA 2.085 60.362 58.100 0.295 0.000 1.146 236 Y CB -0.170 38.513 38.460 0.371 0.000 0.968 236 Y HN 0.596 nan 8.280 nan 0.000 0.504 237 N N -0.244 118.669 118.700 0.354 0.000 2.268 237 N HA -0.004 4.737 4.740 0.001 0.000 0.204 237 N C -0.491 175.092 175.510 0.121 0.000 1.124 237 N CA -0.341 52.823 53.050 0.190 0.000 0.838 237 N CB 0.201 38.746 38.487 0.095 0.000 0.994 237 N HN 0.187 nan 8.380 nan 0.000 0.489 238 D N 0.127 120.590 120.400 0.105 0.000 2.398 238 D HA 0.066 4.707 4.640 0.001 0.000 0.247 238 D C 0.291 176.579 176.300 -0.019 0.000 1.227 238 D CA 0.599 54.620 54.000 0.035 0.000 0.980 238 D CB 1.076 41.885 40.800 0.016 0.000 1.106 238 D HN -0.128 nan 8.370 nan 0.000 0.493 239 T N -0.897 113.591 114.554 -0.110 0.000 2.887 239 T HA 0.372 4.722 4.350 0.001 0.000 0.288 239 T C -1.906 172.527 174.700 -0.446 0.000 1.021 239 T CA -2.249 59.645 62.100 -0.343 0.000 1.000 239 T CB 1.449 70.256 68.868 -0.102 0.000 1.034 239 T HN -0.075 nan 8.240 nan 0.000 0.467 240 P HA -0.187 nan 4.420 nan 0.000 0.216 240 P C 1.493 178.707 177.300 -0.143 0.000 1.157 240 P CA 1.222 64.082 63.100 -0.400 0.000 0.880 240 P CB 0.137 31.542 31.700 -0.491 0.000 0.791 241 E N -0.094 120.011 120.200 -0.158 0.000 2.097 241 E HA -0.235 4.116 4.350 0.001 0.000 0.196 241 E C 1.928 178.511 176.600 -0.029 0.000 1.000 241 E CA 1.261 57.623 56.400 -0.063 0.000 0.804 241 E CB -1.027 28.643 29.700 -0.049 0.000 0.740 241 E HN 0.296 nan 8.360 nan 0.000 0.454 242 R N 1.134 121.611 120.500 -0.038 0.000 2.189 242 R HA -0.013 4.328 4.340 0.001 0.000 0.223 242 R C 1.276 177.583 176.300 0.012 0.000 1.092 242 R CA 1.284 57.377 56.100 -0.011 0.000 0.989 242 R CB -0.333 29.958 30.300 -0.015 0.000 0.876 242 R HN 0.408 nan 8.270 nan 0.000 0.457 243 T N -3.131 111.445 114.554 0.036 0.000 2.925 243 T HA 0.160 4.511 4.350 0.001 0.000 0.285 243 T C 0.786 175.527 174.700 0.069 0.000 1.021 243 T CA -0.746 61.398 62.100 0.074 0.000 1.042 243 T CB 2.624 71.592 68.868 0.167 0.000 1.037 243 T HN -0.030 nan 8.240 nan 0.000 0.481 244 Q N 0.640 120.471 119.800 0.053 0.000 2.389 244 Q HA 0.063 4.403 4.340 0.001 0.000 0.204 244 Q C 1.076 177.098 176.000 0.036 0.000 0.944 244 Q CA 0.514 56.337 55.803 0.034 0.000 0.908 244 Q CB -0.065 28.682 28.738 0.015 0.000 1.002 244 Q HN 0.869 nan 8.270 nan 0.000 0.493 245 F N -0.816 119.047 119.950 -0.145 0.000 2.219 245 F HA -0.053 4.475 4.527 0.002 0.000 0.294 245 F C 0.911 176.586 175.800 -0.208 0.000 1.086 245 F CA 0.943 58.778 58.000 -0.276 0.000 1.330 245 F CB 0.185 38.858 39.000 -0.545 0.000 1.047 245 F HN -0.010 nan 8.300 nan 0.000 0.495 246 F N 0.434 120.466 119.950 0.138 0.000 2.727 246 F HA 0.279 4.807 4.527 0.001 0.000 0.302 246 F C 1.091 176.801 175.800 -0.149 0.000 1.097 246 F CA -0.143 57.806 58.000 -0.086 0.000 1.330 246 F CB -0.644 38.293 39.000 -0.105 0.000 1.084 246 F HN -0.339 nan 8.300 nan 0.000 0.578 247 R N 1.297 121.863 120.500 0.109 0.000 2.543 247 R HA 0.010 4.351 4.340 0.001 0.000 0.277 247 R C -0.022 176.349 176.300 0.119 0.000 1.074 247 R CA -0.350 55.789 56.100 0.064 0.000 1.076 247 R CB 0.251 30.578 30.300 0.046 0.000 0.993 247 R HN 0.031 nan 8.270 nan 0.000 0.459 248 D N 2.933 123.388 120.400 0.092 0.000 2.662 248 D HA -0.134 4.507 4.640 0.001 0.000 0.233 248 D C -0.071 176.297 176.300 0.113 0.000 1.129 248 D CA 1.382 55.458 54.000 0.127 0.000 0.851 248 D CB 0.118 40.956 40.800 0.063 0.000 1.152 248 D HN 0.638 nan 8.370 nan 0.000 0.507 249 N N 0.714 119.491 118.700 0.129 0.000 2.780 249 N HA -0.168 4.573 4.740 0.001 0.000 0.248 249 N C 0.432 175.912 175.510 -0.050 0.000 1.102 249 N CA 0.473 53.514 53.050 -0.014 0.000 0.697 249 N CB -0.735 37.740 38.487 -0.019 0.000 1.028 249 N HN 0.491 nan 8.380 nan 0.000 0.554 250 G N -0.748 108.054 108.800 0.003 0.000 2.537 250 G HA2 0.366 4.327 3.960 0.001 0.000 0.297 250 G HA3 0.366 4.327 3.960 0.001 0.000 0.297 250 G C 1.112 175.858 174.900 -0.257 0.000 1.310 250 G CA 0.090 45.159 45.100 -0.051 0.000 1.027 250 G HN 0.211 nan 8.290 nan 0.000 0.505 251 T N -1.665 112.700 114.554 -0.315 0.000 3.025 251 T HA -0.233 4.118 4.350 0.001 0.000 0.270 251 T C 1.856 176.085 174.700 -0.786 0.000 1.126 251 T CA 1.737 63.582 62.100 -0.426 0.000 1.105 251 T CB -0.517 68.224 68.868 -0.211 0.000 0.884 251 T HN 0.661 nan 8.240 nan 0.000 0.522 252 Y N 1.148 120.715 120.300 -1.222 0.000 2.569 252 Y HA 0.273 4.824 4.550 0.001 0.000 0.293 252 Y C 1.545 177.235 175.900 -0.350 0.000 1.144 252 Y CA 0.134 57.600 58.100 -1.057 0.000 1.321 252 Y CB -0.685 37.312 38.460 -0.772 0.000 0.982 252 Y HN 0.219 nan 8.280 nan 0.000 0.558 253 L N 0.428 121.123 121.223 -0.881 0.000 2.616 253 L HA 0.176 4.517 4.340 0.001 0.000 0.229 253 L C 1.131 177.818 176.870 -0.306 0.000 1.110 253 L CA 0.035 54.504 54.840 -0.617 0.000 0.884 253 L CB -0.168 41.472 42.059 -0.699 0.000 1.115 253 L HN 0.235 nan 8.230 nan 0.000 0.481 254 S N -1.222 114.310 115.700 -0.279 0.000 2.614 254 S HA 0.034 4.505 4.470 0.001 0.000 0.265 254 S C 1.041 175.573 174.600 -0.113 0.000 1.303 254 S CA -0.503 57.594 58.200 -0.171 0.000 1.000 254 S CB 1.489 64.583 63.200 -0.177 0.000 0.935 254 S HN 0.249 nan 8.310 nan 0.000 0.551 255 E N 0.970 121.136 120.200 -0.057 0.000 2.085 255 E HA -0.242 4.109 4.350 0.001 0.000 0.194 255 E C 1.951 178.445 176.600 -0.176 0.000 0.994 255 E CA 1.427 57.831 56.400 0.005 0.000 0.801 255 E CB -0.157 29.612 29.700 0.116 0.000 0.743 255 E HN 0.776 nan 8.360 nan 0.000 0.453 256 K N -0.542 119.577 120.400 -0.469 0.000 2.057 256 K HA -0.112 4.209 4.320 0.001 0.000 0.207 256 K C 2.022 178.357 176.600 -0.442 0.000 1.049 256 K CA 1.505 57.137 56.287 -1.091 0.000 0.931 256 K CB -0.267 31.652 32.500 -0.968 0.000 0.714 256 K HN 0.203 nan 8.250 nan 0.000 0.440 257 G N 0.120 108.812 108.800 -0.180 0.000 2.551 257 G HA2 -0.126 3.835 3.960 0.001 0.000 0.216 257 G HA3 -0.126 3.835 3.960 0.001 0.000 0.216 257 G C 1.405 176.374 174.900 0.114 0.000 1.137 257 G CA 0.017 45.150 45.100 0.056 0.000 0.798 257 G HN 0.230 nan 8.290 nan 0.000 0.536 258 R N -0.980 119.570 120.500 0.084 0.000 2.093 258 R HA 0.139 4.480 4.340 0.001 0.000 0.224 258 R C 2.100 178.552 176.300 0.253 0.000 1.101 258 R CA 0.613 56.825 56.100 0.186 0.000 0.979 258 R CB -0.356 30.061 30.300 0.194 0.000 0.877 258 R HN 0.367 nan 8.270 nan 0.000 0.441 259 F N 0.546 120.553 119.950 0.095 0.000 2.113 259 F HA -0.194 4.334 4.527 0.001 0.000 0.297 259 F C 1.894 177.844 175.800 0.251 0.000 1.103 259 F CA 1.239 59.338 58.000 0.166 0.000 1.248 259 F CB -0.380 38.696 39.000 0.127 0.000 0.999 259 F HN -0.055 nan 8.300 nan 0.000 0.475 260 F N 0.905 120.967 119.950 0.188 0.000 2.095 260 F HA -0.207 4.321 4.527 0.001 0.000 0.298 260 F C 1.863 177.679 175.800 0.028 0.000 1.104 260 F CA 1.905 59.993 58.000 0.146 0.000 1.232 260 F CB -0.784 38.167 39.000 -0.082 0.000 0.987 260 F HN -0.028 nan 8.300 nan 0.000 0.475 261 L N -0.210 120.846 121.223 -0.278 0.000 2.201 261 L HA -0.120 4.221 4.340 0.001 0.000 0.212 261 L C 2.732 179.372 176.870 -0.384 0.000 1.105 261 L CA 0.898 55.376 54.840 -0.603 0.000 0.775 261 L CB -1.124 40.377 42.059 -0.929 0.000 0.913 261 L HN 0.288 nan 8.230 nan 0.000 0.440 262 A N -0.328 122.450 122.820 -0.071 0.000 1.872 262 A HA -0.244 4.076 4.320 0.001 0.000 0.214 262 A C 1.954 179.560 177.584 0.037 0.000 1.187 262 A CA 1.219 53.342 52.037 0.144 0.000 0.614 262 A CB -0.922 18.175 19.000 0.162 0.000 0.826 262 A HN 0.575 nan 8.150 nan 0.000 0.442 263 W N -0.385 120.767 121.300 -0.247 0.000 2.329 263 W HA -0.298 4.363 4.660 0.001 0.000 0.324 263 W C 2.081 178.536 176.519 -0.106 0.000 1.222 263 W CA 2.332 59.562 57.345 -0.192 0.000 1.270 263 W CB -1.013 28.351 29.460 -0.161 0.000 1.167 263 W HN 0.426 nan 8.180 nan 0.000 0.467 264 Y N 1.988 122.022 120.300 -0.442 0.000 2.102 264 Y HA -0.380 4.170 4.550 0.001 0.000 0.280 264 Y C 2.995 178.640 175.900 -0.425 0.000 1.178 264 Y CA 3.511 61.157 58.100 -0.756 0.000 1.146 264 Y CB -0.990 36.926 38.460 -0.906 0.000 0.968 264 Y HN 0.128 nan 8.280 nan 0.000 0.504 265 S N -0.564 115.070 115.700 -0.110 0.000 2.428 265 S HA -0.132 4.339 4.470 0.001 0.000 0.230 265 S C 1.686 176.240 174.600 -0.078 0.000 1.014 265 S CA 1.150 59.326 58.200 -0.039 0.000 0.957 265 S CB -0.459 62.819 63.200 0.130 0.000 0.784 265 S HN 0.483 nan 8.310 nan 0.000 0.499 266 N N 2.636 121.270 118.700 -0.110 0.000 2.270 266 N HA 0.068 4.809 4.740 0.001 0.000 0.181 266 N C 1.364 176.791 175.510 -0.139 0.000 1.016 266 N CA 0.835 53.832 53.050 -0.088 0.000 0.870 266 N CB -0.748 37.707 38.487 -0.054 0.000 0.979 266 N HN 0.388 nan 8.380 nan 0.000 0.431 267 N N 0.994 119.524 118.700 -0.283 0.000 2.094 267 N HA -0.087 4.654 4.740 0.001 0.000 0.191 267 N C 1.691 177.088 175.510 -0.190 0.000 1.023 267 N CA 0.634 53.514 53.050 -0.285 0.000 0.857 267 N CB -0.393 37.806 38.487 -0.481 0.000 1.013 267 N HN 0.286 nan 8.380 nan 0.000 0.426 268 L N 0.209 121.296 121.223 -0.227 0.000 2.201 268 L HA -0.041 4.300 4.340 0.001 0.000 0.212 268 L C 2.034 178.877 176.870 -0.045 0.000 1.105 268 L CA 0.555 55.275 54.840 -0.201 0.000 0.775 268 L CB -0.237 41.677 42.059 -0.240 0.000 0.913 268 L HN 0.140 nan 8.230 nan 0.000 0.440 269 I N -0.179 120.374 120.570 -0.028 0.000 2.133 269 I HA -0.285 3.886 4.170 0.001 0.000 0.238 269 I C 2.527 178.663 176.117 0.031 0.000 1.074 269 I CA 1.345 62.654 61.300 0.015 0.000 1.342 269 I CB -0.219 37.789 38.000 0.013 0.000 1.053 269 I HN 0.152 nan 8.210 nan 0.000 0.404 270 K N -0.316 120.096 120.400 0.020 0.000 2.074 270 K HA -0.293 4.028 4.320 0.001 0.000 0.209 270 K C 2.149 178.783 176.600 0.056 0.000 1.048 270 K CA 1.976 58.284 56.287 0.036 0.000 0.926 270 K CB -0.443 32.072 32.500 0.024 0.000 0.713 270 K HN 0.363 nan 8.250 nan 0.000 0.444 271 H N 0.074 119.115 119.070 -0.049 0.000 2.270 271 H HA -0.074 4.483 4.556 0.001 0.000 0.299 271 H C 2.053 177.356 175.328 -0.041 0.000 1.077 271 H CA 2.188 58.210 56.048 -0.044 0.000 1.294 271 H CB -0.558 29.157 29.762 -0.078 0.000 1.371 271 H HN 0.223 nan 8.280 nan 0.000 0.491 272 G N -0.682 108.114 108.800 -0.007 0.000 2.448 272 G HA2 -0.283 3.678 3.960 0.001 0.000 0.219 272 G HA3 -0.283 3.678 3.960 0.001 0.000 0.219 272 G C 1.443 176.303 174.900 -0.066 0.000 1.127 272 G CA 1.010 46.066 45.100 -0.073 0.000 0.766 272 G HN 0.518 nan 8.290 nan 0.000 0.552 273 D N 0.509 120.912 120.400 0.006 0.000 2.085 273 D HA -0.042 4.599 4.640 0.001 0.000 0.199 273 D C 2.685 178.985 176.300 -0.001 0.000 0.981 273 D CA 0.694 54.748 54.000 0.089 0.000 0.834 273 D CB -0.120 40.752 40.800 0.120 0.000 0.992 273 D HN 0.200 nan 8.370 nan 0.000 0.457 274 R N 0.017 120.507 120.500 -0.017 0.000 2.115 274 R HA -0.147 4.194 4.340 0.001 0.000 0.239 274 R C 2.592 178.839 176.300 -0.088 0.000 1.133 274 R CA 1.758 57.837 56.100 -0.035 0.000 0.935 274 R CB -0.619 29.658 30.300 -0.039 0.000 0.853 274 R HN 0.320 nan 8.270 nan 0.000 0.433 275 I N 0.514 120.990 120.570 -0.156 0.000 2.493 275 I HA -0.225 3.946 4.170 0.001 0.000 0.254 275 I C 2.035 178.052 176.117 -0.167 0.000 1.160 275 I CA 0.980 62.180 61.300 -0.167 0.000 1.445 275 I CB -0.122 37.712 38.000 -0.277 0.000 1.086 275 I HN 0.165 nan 8.210 nan 0.000 0.433 276 L N -0.015 121.056 121.223 -0.253 0.000 2.341 276 L HA -0.121 4.219 4.340 0.001 0.000 0.214 276 L C 2.140 178.755 176.870 -0.425 0.000 1.115 276 L CA 0.611 55.222 54.840 -0.382 0.000 0.820 276 L CB -0.373 41.327 42.059 -0.598 0.000 0.944 276 L HN 0.232 nan 8.230 nan 0.000 0.452 277 D N 0.211 120.432 120.400 -0.297 0.000 2.097 277 D HA -0.201 4.440 4.640 0.001 0.000 0.195 277 D C 1.988 178.281 176.300 -0.011 0.000 0.989 277 D CA 1.288 55.247 54.000 -0.068 0.000 0.827 277 D CB 0.294 41.117 40.800 0.039 0.000 0.966 277 D HN 0.206 nan 8.370 nan 0.000 0.456 278 E N 0.570 120.757 120.200 -0.021 0.000 2.006 278 E HA -0.099 4.252 4.350 0.001 0.000 0.192 278 E C 2.210 178.845 176.600 0.058 0.000 0.993 278 E CA 1.019 57.430 56.400 0.018 0.000 0.808 278 E CB -0.752 28.953 29.700 0.008 0.000 0.764 278 E HN 0.291 nan 8.360 nan 0.000 0.449 279 A N 2.348 125.210 122.820 0.071 0.000 1.997 279 A HA -0.271 4.050 4.320 0.001 0.000 0.221 279 A C 2.026 179.768 177.584 0.263 0.000 1.172 279 A CA 1.961 54.122 52.037 0.207 0.000 0.645 279 A CB -0.816 18.257 19.000 0.122 0.000 0.813 279 A HN 0.308 nan 8.150 nan 0.000 0.454 280 N N 0.533 119.304 118.700 0.119 0.000 2.135 280 N HA -0.164 4.577 4.740 0.001 0.000 0.186 280 N C 1.607 177.205 175.510 0.146 0.000 1.027 280 N CA 1.626 54.759 53.050 0.138 0.000 0.849 280 N CB -0.219 38.326 38.487 0.096 0.000 1.002 280 N HN 0.721 nan 8.380 nan 0.000 0.425 281 K N 0.344 120.804 120.400 0.100 0.000 2.525 281 K HA 0.079 4.400 4.320 0.001 0.000 0.192 281 K C 1.460 178.093 176.600 0.056 0.000 1.029 281 K CA 0.277 56.611 56.287 0.078 0.000 1.029 281 K CB 0.439 32.972 32.500 0.055 0.000 0.814 281 K HN -0.031 nan 8.250 nan 0.000 0.503 282 V N 0.258 120.201 119.914 0.049 0.000 2.403 282 V HA -0.017 4.104 4.120 0.001 0.000 0.239 282 V C 1.213 177.185 176.094 -0.204 0.000 1.041 282 V CA 0.920 63.147 62.300 -0.121 0.000 1.051 282 V CB -0.331 31.383 31.823 -0.182 0.000 0.704 282 V HN 0.229 nan 8.190 nan 0.000 0.472 283 F N 0.370 120.394 119.950 0.124 0.000 2.804 283 F HA 0.252 4.779 4.527 0.001 0.000 0.303 283 F C 0.830 176.821 175.800 0.318 0.000 1.154 283 F CA -0.341 57.783 58.000 0.206 0.000 1.401 283 F CB -0.252 38.804 39.000 0.094 0.000 1.106 283 F HN 0.054 nan 8.300 nan 0.000 0.568 284 L N 1.532 122.933 121.223 0.296 0.000 2.825 284 L HA 0.231 4.572 4.340 0.001 0.000 0.278 284 L C 0.982 177.926 176.870 0.122 0.000 1.125 284 L CA 0.631 55.581 54.840 0.184 0.000 1.023 284 L CB -0.627 41.497 42.059 0.108 0.000 1.377 284 L HN 0.412 nan 8.230 nan 0.000 0.471 285 G N 2.505 111.361 108.800 0.093 0.000 2.205 285 G HA2 -0.239 3.722 3.960 0.001 0.000 0.180 285 G HA3 -0.239 3.722 3.960 0.001 0.000 0.180 285 G C -0.077 174.721 174.900 -0.170 0.000 1.004 285 G CA -0.078 44.984 45.100 -0.064 0.000 0.670 285 G HN 0.547 nan 8.290 nan 0.000 0.496 286 Y N 0.982 121.345 120.300 0.105 0.000 2.376 286 Y HA 0.579 5.130 4.550 0.001 0.000 0.325 286 Y C 0.939 176.897 175.900 0.096 0.000 1.199 286 Y CA -0.710 57.460 58.100 0.117 0.000 1.206 286 Y CB 1.021 39.601 38.460 0.199 0.000 1.229 286 Y HN -0.197 nan 8.280 nan 0.000 0.480 287 K N 3.450 124.013 120.400 0.273 0.000 2.449 287 K HA 0.235 4.555 4.320 0.001 0.000 0.237 287 K C -0.816 175.893 176.600 0.182 0.000 1.265 287 K CA 0.010 56.404 56.287 0.179 0.000 1.193 287 K CB -1.079 31.507 32.500 0.144 0.000 1.515 287 K HN 0.504 nan 8.250 nan 0.000 0.259 288 V N -1.497 118.516 119.914 0.166 0.000 3.159 288 V HA 0.568 4.689 4.120 0.001 0.000 0.308 288 V C -1.285 174.833 176.094 0.041 0.000 1.190 288 V CA -1.328 61.025 62.300 0.088 0.000 1.037 288 V CB 2.189 34.026 31.823 0.025 0.000 1.060 288 V HN 0.469 nan 8.190 nan 0.000 0.437 289 Q N 1.666 121.451 119.800 -0.024 0.000 2.347 289 Q HA 0.778 5.118 4.340 0.001 0.000 0.271 289 Q C -1.732 174.196 176.000 -0.121 0.000 1.064 289 Q CA -0.812 54.953 55.803 -0.064 0.000 0.800 289 Q CB 2.321 31.002 28.738 -0.095 0.000 1.304 289 Q HN 0.706 nan 8.270 nan 0.000 0.438 290 L N 2.283 123.440 121.223 -0.111 0.000 2.292 290 L HA 0.852 5.192 4.340 0.001 0.000 0.284 290 L C -0.840 175.959 176.870 -0.118 0.000 1.065 290 L CA 0.141 54.900 54.840 -0.135 0.000 0.806 290 L CB 1.262 43.266 42.059 -0.091 0.000 1.175 290 L HN 0.952 nan 8.230 nan 0.000 0.431 291 A N 5.216 127.956 122.820 -0.133 0.000 2.532 291 A HA 0.908 5.229 4.320 0.001 0.000 0.290 291 A C -1.036 176.485 177.584 -0.105 0.000 1.143 291 A CA -0.542 51.430 52.037 -0.109 0.000 0.728 291 A CB 1.474 20.405 19.000 -0.115 0.000 1.317 291 A HN 0.709 nan 8.150 nan 0.000 0.414 292 I N -2.557 117.966 120.570 -0.078 0.000 3.042 292 I HA 0.711 4.882 4.170 0.001 0.000 0.310 292 I C -0.935 175.148 176.117 -0.057 0.000 1.117 292 I CA -1.007 60.251 61.300 -0.071 0.000 1.003 292 I CB 2.373 40.347 38.000 -0.043 0.000 1.228 292 I HN 0.471 nan 8.210 nan 0.000 0.443 293 K N 3.854 124.218 120.400 -0.060 0.000 2.244 293 K HA 0.686 5.006 4.320 0.001 0.000 0.260 293 K C -1.275 175.330 176.600 0.008 0.000 0.951 293 K CA -0.511 55.747 56.287 -0.047 0.000 0.826 293 K CB 2.536 34.981 32.500 -0.093 0.000 1.108 293 K HN 0.506 nan 8.250 nan 0.000 0.433 294 I N 2.429 123.032 120.570 0.056 0.000 2.433 294 I HA 0.292 4.463 4.170 0.001 0.000 0.292 294 I C 0.242 176.425 176.117 0.110 0.000 1.001 294 I CA -0.732 60.646 61.300 0.130 0.000 1.119 294 I CB 1.885 39.944 38.000 0.098 0.000 1.289 294 I HN 0.708 nan 8.210 nan 0.000 0.438 295 A N 4.123 127.073 122.820 0.216 0.000 2.366 295 A HA 0.573 4.894 4.320 0.001 0.000 0.250 295 A C 0.580 178.219 177.584 0.092 0.000 1.099 295 A CA -0.028 52.115 52.037 0.175 0.000 0.794 295 A CB 0.107 19.348 19.000 0.401 0.000 1.056 295 A HN 0.898 nan 8.150 nan 0.000 0.499 296 G N -0.297 108.496 108.800 -0.011 0.000 3.302 296 G HA2 0.485 4.446 3.960 0.001 0.000 0.338 296 G HA3 0.485 4.446 3.960 0.001 0.000 0.338 296 G C -0.740 174.144 174.900 -0.026 0.000 1.405 296 G CA -0.169 44.917 45.100 -0.024 0.000 1.090 296 G HN 0.633 nan 8.290 nan 0.000 0.482 297 V N 3.825 123.693 119.914 -0.076 0.000 2.096 297 V HA 0.068 4.189 4.120 0.001 0.000 0.259 297 V C 1.439 177.277 176.094 -0.427 0.000 1.420 297 V CA -0.346 61.613 62.300 -0.567 0.000 1.336 297 V CB -0.838 30.781 31.823 -0.340 0.000 1.394 297 V HN 0.907 nan 8.190 nan 0.000 0.494 298 H N 0.758 119.788 119.070 -0.068 0.000 2.495 298 H HA -0.068 4.489 4.556 0.001 0.000 0.287 298 H C 0.757 176.172 175.328 0.145 0.000 1.033 298 H CA -0.229 55.865 56.048 0.077 0.000 1.307 298 H CB -0.456 29.375 29.762 0.115 0.000 1.401 298 H HN 0.636 nan 8.280 nan 0.000 0.555 299 W N -0.720 120.621 121.300 0.068 0.000 2.158 299 W HA 0.245 4.905 4.660 0.001 0.000 0.339 299 W C -0.246 176.175 176.519 -0.163 0.000 1.294 299 W CA -1.126 56.098 57.345 -0.201 0.000 1.231 299 W CB 0.184 29.310 29.460 -0.558 0.000 1.143 299 W HN 0.290 nan 8.180 nan 0.000 0.571 300 W N 0.517 121.888 121.300 0.119 0.000 3.834 300 W HA -0.377 4.284 4.660 0.001 0.000 0.320 300 W C 1.301 177.759 176.519 -0.102 0.000 1.201 300 W CA 0.580 57.903 57.345 -0.037 0.000 0.701 300 W CB -2.329 27.055 29.460 -0.126 0.000 2.264 300 W HN 0.697 nan 8.180 nan 0.000 1.413 301 Y N 1.010 121.300 120.300 -0.016 0.000 2.153 301 Y HA -0.122 4.429 4.550 0.001 0.000 0.289 301 Y C 2.263 178.029 175.900 -0.224 0.000 1.127 301 Y CA 2.338 60.388 58.100 -0.083 0.000 1.131 301 Y CB -0.336 38.158 38.460 0.057 0.000 0.995 301 Y HN -0.078 nan 8.280 nan 0.000 0.505 302 K N 0.351 120.814 120.400 0.104 0.000 2.442 302 K HA -0.076 4.245 4.320 0.001 0.000 0.199 302 K C 0.581 177.141 176.600 -0.067 0.000 1.044 302 K CA 0.832 57.139 56.287 0.033 0.000 0.941 302 K CB -0.523 32.023 32.500 0.076 0.000 0.759 302 K HN 0.271 nan 8.250 nan 0.000 0.472 303 V N -2.239 117.618 119.914 -0.095 0.000 2.997 303 V HA 0.181 4.302 4.120 0.001 0.000 0.311 303 V C -1.977 173.997 176.094 -0.201 0.000 1.066 303 V CA -1.770 60.489 62.300 -0.069 0.000 1.039 303 V CB 1.432 33.279 31.823 0.040 0.000 1.081 303 V HN -0.159 nan 8.190 nan 0.000 0.467 304 P HA -0.093 nan 4.420 nan 0.000 0.216 304 P C 1.916 179.227 177.300 0.018 0.000 1.153 304 P CA 2.115 65.217 63.100 0.004 0.000 0.848 304 P CB 0.045 31.792 31.700 0.079 0.000 0.787 305 S N -2.457 113.113 115.700 -0.217 0.000 2.453 305 S HA -0.164 4.306 4.470 0.001 0.000 0.231 305 S C 0.872 175.435 174.600 -0.061 0.000 1.005 305 S CA 0.465 58.393 58.200 -0.454 0.000 0.949 305 S CB -1.316 61.506 63.200 -0.630 0.000 0.774 305 S HN 0.257 nan 8.310 nan 0.000 0.510 306 H N 0.318 119.312 119.070 -0.127 0.000 2.820 306 H HA -0.220 4.337 4.556 0.001 0.000 0.295 306 H C 1.641 176.907 175.328 -0.103 0.000 1.187 306 H CA 0.463 56.473 56.048 -0.063 0.000 1.144 306 H CB -1.823 27.911 29.762 -0.046 0.000 1.354 306 H HN 0.625 nan 8.280 nan 0.000 0.395 307 A N 0.811 123.495 122.820 -0.226 0.000 1.900 307 A HA -0.297 4.024 4.320 0.001 0.000 0.225 307 A C 2.596 179.897 177.584 -0.472 0.000 1.414 307 A CA 3.445 55.072 52.037 -0.683 0.000 0.702 307 A CB -1.201 17.111 19.000 -1.146 0.000 0.845 307 A HN 0.765 nan 8.150 nan 0.000 0.478 308 A N -1.007 121.659 122.820 -0.256 0.000 2.024 308 A HA -0.192 4.129 4.320 0.001 0.000 0.220 308 A C 1.905 179.374 177.584 -0.192 0.000 1.164 308 A CA 1.857 53.743 52.037 -0.250 0.000 0.643 308 A CB -0.543 18.123 19.000 -0.557 0.000 0.806 308 A HN 0.756 nan 8.150 nan 0.000 0.451 309 E N -0.146 120.022 120.200 -0.053 0.000 2.051 309 E HA -0.041 4.310 4.350 0.001 0.000 0.189 309 E C 1.956 178.638 176.600 0.137 0.000 0.979 309 E CA 0.848 57.331 56.400 0.139 0.000 0.803 309 E CB -0.295 29.562 29.700 0.262 0.000 0.761 309 E HN 0.604 nan 8.360 nan 0.000 0.451 310 L N 1.342 122.648 121.223 0.139 0.000 2.042 310 L HA -0.166 4.174 4.340 0.001 0.000 0.210 310 L C 2.923 179.928 176.870 0.226 0.000 1.076 310 L CA 1.797 56.783 54.840 0.243 0.000 0.749 310 L CB -1.267 41.043 42.059 0.419 0.000 0.893 310 L HN 0.333 nan 8.230 nan 0.000 0.432 311 T N -2.446 112.072 114.554 -0.059 0.000 2.904 311 T HA -0.041 4.309 4.350 0.001 0.000 0.267 311 T C 1.868 176.586 174.700 0.031 0.000 1.059 311 T CA 0.810 62.720 62.100 -0.315 0.000 1.137 311 T CB -0.280 68.253 68.868 -0.559 0.000 0.879 311 T HN 0.296 nan 8.240 nan 0.000 0.467 312 A N 0.866 123.703 122.820 0.028 0.000 2.209 312 A HA 0.508 4.828 4.320 0.001 0.000 0.212 312 A C 2.183 179.699 177.584 -0.113 0.000 1.158 312 A CA 1.095 53.133 52.037 0.003 0.000 0.742 312 A CB -1.168 17.842 19.000 0.017 0.000 0.790 312 A HN 1.334 nan 8.150 nan 0.000 0.472 313 G N -2.602 106.216 108.800 0.030 0.000 2.259 313 G HA2 -0.228 3.733 3.960 0.001 0.000 0.217 313 G HA3 -0.228 3.733 3.960 0.001 0.000 0.217 313 G C -0.055 174.754 174.900 -0.151 0.000 1.001 313 G CA 0.027 45.092 45.100 -0.058 0.000 0.627 313 G HN 0.394 nan 8.290 nan 0.000 0.501 314 Y N 1.277 121.638 120.300 0.101 0.000 2.585 314 Y HA 0.504 5.055 4.550 0.001 0.000 0.354 314 Y C 0.366 176.270 175.900 0.007 0.000 1.024 314 Y CA -1.708 56.358 58.100 -0.057 0.000 1.321 314 Y CB 0.112 38.473 38.460 -0.166 0.000 1.151 314 Y HN 0.199 nan 8.280 nan 0.000 0.525 315 Y N 4.929 125.227 120.300 -0.003 0.000 2.568 315 Y HA 0.219 4.769 4.550 0.001 0.000 0.338 315 Y C -0.509 175.334 175.900 -0.094 0.000 1.245 315 Y CA -1.235 56.868 58.100 0.006 0.000 1.667 315 Y CB -0.486 37.991 38.460 0.028 0.000 1.568 315 Y HN 0.586 nan 8.280 nan 0.000 0.471 316 N N 4.827 123.548 118.700 0.034 0.000 2.342 316 N HA 0.640 5.380 4.740 0.001 0.000 0.293 316 N C -1.545 173.757 175.510 -0.346 0.000 1.026 316 N CA -0.313 52.602 53.050 -0.226 0.000 0.857 316 N CB 1.119 39.438 38.487 -0.279 0.000 1.256 316 N HN 0.527 nan 8.380 nan 0.000 0.484 317 L N 0.946 121.938 121.223 -0.385 0.000 2.357 317 L HA 0.359 4.700 4.340 0.001 0.000 0.244 317 L C 1.269 178.008 176.870 -0.218 0.000 1.115 317 L CA -0.942 53.711 54.840 -0.311 0.000 0.919 317 L CB 1.246 43.300 42.059 -0.008 0.000 1.532 317 L HN 0.600 nan 8.230 nan 0.000 0.416 318 H N 0.885 119.911 119.070 -0.074 0.000 2.395 318 H HA -0.104 4.453 4.556 0.001 0.000 0.299 318 H C 0.640 175.943 175.328 -0.040 0.000 1.070 318 H CA 2.124 58.161 56.048 -0.019 0.000 1.356 318 H CB 0.532 30.325 29.762 0.051 0.000 1.401 318 H HN 0.756 nan 8.280 nan 0.000 0.524 319 D N -0.561 119.836 120.400 -0.004 0.000 2.369 319 D HA -0.006 4.635 4.640 0.001 0.000 0.211 319 D C 0.673 176.904 176.300 -0.114 0.000 1.077 319 D CA -0.129 53.831 54.000 -0.066 0.000 0.842 319 D CB 0.139 40.953 40.800 0.023 0.000 0.947 319 D HN 0.149 nan 8.370 nan 0.000 0.509 320 R N 1.072 121.476 120.500 -0.159 0.000 2.468 320 R HA 0.124 4.465 4.340 0.001 0.000 0.302 320 R C -1.398 174.765 176.300 -0.228 0.000 1.041 320 R CA -0.552 55.415 56.100 -0.221 0.000 0.899 320 R CB 0.984 31.076 30.300 -0.347 0.000 1.167 320 R HN -0.221 nan 8.270 nan 0.000 0.483 321 D N 3.006 123.299 120.400 -0.179 0.000 2.342 321 D HA 0.083 4.723 4.640 0.001 0.000 0.260 321 D C 0.791 176.980 176.300 -0.185 0.000 1.278 321 D CA 0.388 54.300 54.000 -0.148 0.000 0.910 321 D CB 1.350 42.090 40.800 -0.099 0.000 1.079 321 D HN 0.827 nan 8.370 nan 0.000 0.496 322 G N 2.583 111.212 108.800 -0.284 0.000 2.985 322 G HA2 -0.129 3.832 3.960 0.001 0.000 0.209 322 G HA3 -0.129 3.832 3.960 0.001 0.000 0.209 322 G C 0.577 175.170 174.900 -0.512 0.000 1.165 322 G CA 0.119 44.991 45.100 -0.380 0.000 0.776 322 G HN 0.467 nan 8.290 nan 0.000 0.541 323 Y N -1.178 119.069 120.300 -0.088 0.000 2.445 323 Y HA 0.361 4.911 4.550 0.001 0.000 0.247 323 Y C 2.393 178.224 175.900 -0.115 0.000 1.129 323 Y CA -0.460 57.559 58.100 -0.134 0.000 1.251 323 Y CB 0.490 38.806 38.460 -0.240 0.000 1.176 323 Y HN 0.106 nan 8.280 nan 0.000 0.522 324 R N 0.063 120.569 120.500 0.011 0.000 2.223 324 R HA -0.031 4.310 4.340 0.001 0.000 0.198 324 R C 1.800 178.094 176.300 -0.011 0.000 0.984 324 R CA 1.337 57.433 56.100 -0.007 0.000 1.018 324 R CB 0.112 30.398 30.300 -0.024 0.000 0.945 324 R HN 0.382 nan 8.270 nan 0.000 0.479 325 T N -0.573 113.965 114.554 -0.027 0.000 2.737 325 T HA -0.086 4.265 4.350 0.001 0.000 0.265 325 T C 1.957 176.660 174.700 0.006 0.000 1.038 325 T CA 1.089 63.178 62.100 -0.017 0.000 1.144 325 T CB -0.352 68.499 68.868 -0.029 0.000 0.866 325 T HN 0.095 nan 8.240 nan 0.000 0.434 326 I N 2.394 122.977 120.570 0.021 0.000 2.091 326 I HA -0.184 3.987 4.170 0.001 0.000 0.239 326 I C 3.207 179.347 176.117 0.038 0.000 1.061 326 I CA 1.502 62.831 61.300 0.049 0.000 1.317 326 I CB -0.697 37.358 38.000 0.092 0.000 1.031 326 I HN 0.323 nan 8.210 nan 0.000 0.401 327 A N 0.309 123.145 122.820 0.026 0.000 2.076 327 A HA -0.251 4.069 4.320 0.001 0.000 0.220 327 A C 2.273 179.865 177.584 0.013 0.000 1.160 327 A CA 1.854 53.899 52.037 0.014 0.000 0.653 327 A CB -0.562 18.436 19.000 -0.003 0.000 0.801 327 A HN 0.327 nan 8.150 nan 0.000 0.455 328 R N -0.790 119.716 120.500 0.010 0.000 2.119 328 R HA 0.050 4.391 4.340 0.001 0.000 0.222 328 R C 1.997 178.292 176.300 -0.009 0.000 1.088 328 R CA 1.531 57.632 56.100 0.001 0.000 0.984 328 R CB -0.467 29.834 30.300 0.001 0.000 0.884 328 R HN 0.474 nan 8.270 nan 0.000 0.447 329 M N -0.113 119.491 119.600 0.007 0.000 2.254 329 M HA -0.023 4.458 4.480 0.001 0.000 0.265 329 M C 1.232 177.541 176.300 0.015 0.000 1.066 329 M CA 1.544 56.849 55.300 0.009 0.000 1.123 329 M CB -0.181 32.446 32.600 0.045 0.000 1.388 329 M HN 0.266 nan 8.290 nan 0.000 0.425 330 L N -0.182 121.072 121.223 0.052 0.000 2.291 330 L HA -0.155 4.186 4.340 0.001 0.000 0.214 330 L C 2.409 179.294 176.870 0.025 0.000 1.120 330 L CA 0.679 55.578 54.840 0.098 0.000 0.799 330 L CB -0.737 41.360 42.059 0.063 0.000 0.925 330 L HN 0.350 nan 8.230 nan 0.000 0.446 331 K N 0.967 121.352 120.400 -0.025 0.000 2.074 331 K HA -0.226 4.095 4.320 0.001 0.000 0.209 331 K C 2.250 178.803 176.600 -0.078 0.000 1.048 331 K CA 1.701 57.966 56.287 -0.037 0.000 0.926 331 K CB 0.069 32.553 32.500 -0.027 0.000 0.713 331 K HN 0.284 nan 8.250 nan 0.000 0.444 332 R N -0.471 119.916 120.500 -0.189 0.000 2.081 332 R HA -0.088 4.252 4.340 0.001 0.000 0.235 332 R C 2.125 178.335 176.300 -0.150 0.000 1.131 332 R CA 1.465 57.437 56.100 -0.214 0.000 0.960 332 R CB -0.656 29.439 30.300 -0.341 0.000 0.856 332 R HN 0.328 nan 8.270 nan 0.000 0.436 333 H N 1.062 120.136 119.070 0.007 0.000 2.563 333 H HA 0.179 4.736 4.556 0.001 0.000 0.272 333 H C 0.315 175.643 175.328 -0.000 0.000 1.005 333 H CA 0.401 56.453 56.048 0.007 0.000 1.171 333 H CB 0.063 29.826 29.762 0.002 0.000 1.351 333 H HN 0.125 nan 8.280 nan 0.000 0.602 334 R N -0.781 119.761 120.500 0.070 0.000 3.641 334 R HA -0.135 4.206 4.340 0.001 0.000 0.286 334 R C 0.305 176.613 176.300 0.014 0.000 1.153 334 R CA 0.664 56.782 56.100 0.029 0.000 0.775 334 R CB -2.154 28.161 30.300 0.026 0.000 1.215 334 R HN 0.377 nan 8.270 nan 0.000 0.474 335 A N 0.778 123.624 122.820 0.042 0.000 2.272 335 A HA 0.650 4.971 4.320 0.001 0.000 0.275 335 A C 0.755 178.320 177.584 -0.032 0.000 1.096 335 A CA 0.353 52.394 52.037 0.007 0.000 0.822 335 A CB 0.888 19.916 19.000 0.047 0.000 1.088 335 A HN 0.469 nan 8.150 nan 0.000 0.495 336 S N -0.744 114.919 115.700 -0.060 0.000 2.632 336 S HA 0.747 5.217 4.470 0.001 0.000 0.289 336 S C -0.692 173.877 174.600 -0.051 0.000 1.115 336 S CA -0.635 57.521 58.200 -0.073 0.000 0.889 336 S CB 0.901 64.014 63.200 -0.144 0.000 1.116 336 S HN 0.562 nan 8.310 nan 0.000 0.486 337 I N 2.216 122.759 120.570 -0.045 0.000 2.385 337 I HA 0.382 4.553 4.170 0.001 0.000 0.294 337 I C -0.377 175.734 176.117 -0.010 0.000 0.988 337 I CA -0.569 60.712 61.300 -0.032 0.000 1.265 337 I CB 1.434 39.398 38.000 -0.059 0.000 1.388 337 I HN 0.718 nan 8.210 nan 0.000 0.480 338 N N 6.302 125.003 118.700 0.001 0.000 2.626 338 N HA 0.247 4.988 4.740 0.001 0.000 0.242 338 N C -1.179 174.360 175.510 0.049 0.000 1.005 338 N CA -0.394 52.660 53.050 0.006 0.000 0.905 338 N CB 0.466 38.923 38.487 -0.051 0.000 1.128 338 N HN 0.290 nan 8.380 nan 0.000 0.512 339 F N 2.204 122.096 119.950 -0.097 0.000 2.375 339 F HA 0.337 4.865 4.527 0.001 0.000 0.333 339 F C 1.631 177.392 175.800 -0.065 0.000 1.104 339 F CA -0.492 57.438 58.000 -0.117 0.000 1.149 339 F CB 1.324 40.221 39.000 -0.170 0.000 1.190 339 F HN 0.455 nan 8.300 nan 0.000 0.533 340 T N 0.372 114.378 114.554 -0.914 0.000 3.176 340 T HA 0.108 4.459 4.350 0.001 0.000 0.263 340 T C 0.809 175.162 174.700 -0.578 0.000 1.021 340 T CA 0.074 61.812 62.100 -0.604 0.000 0.905 340 T CB -1.055 67.592 68.868 -0.369 0.000 1.057 340 T HN 0.599 nan 8.240 nan 0.000 0.558 341 C N 0.965 119.812 119.300 -0.754 0.000 3.104 341 C HA 0.709 5.170 4.460 0.001 0.000 0.284 341 C C 2.709 177.665 174.990 -0.058 0.000 1.326 341 C CA -0.146 58.702 59.018 -0.284 0.000 1.725 341 C CB -1.157 26.467 27.740 -0.193 0.000 2.156 341 C HN 0.791 nan 8.230 nan 0.000 0.638 342 A N 1.806 124.642 122.820 0.028 0.000 1.985 342 A HA -0.280 4.041 4.320 0.001 0.000 0.223 342 A C 2.208 179.817 177.584 0.043 0.000 1.189 342 A CA 2.596 54.705 52.037 0.120 0.000 0.658 342 A CB -0.353 18.800 19.000 0.254 0.000 0.820 342 A HN 0.731 nan 8.150 nan 0.000 0.464 343 E N -0.073 120.131 120.200 0.006 0.000 2.371 343 E HA -0.003 4.348 4.350 0.001 0.000 0.194 343 E C 0.836 177.384 176.600 -0.088 0.000 1.012 343 E CA 0.132 56.492 56.400 -0.067 0.000 0.860 343 E CB -0.402 29.239 29.700 -0.098 0.000 0.811 343 E HN 0.687 nan 8.360 nan 0.000 0.502 344 M N 0.954 120.507 119.600 -0.079 0.000 2.226 344 M HA 0.280 4.761 4.480 0.001 0.000 0.324 344 M C 0.437 176.677 176.300 -0.101 0.000 1.112 344 M CA 0.267 55.502 55.300 -0.108 0.000 1.176 344 M CB 0.801 33.316 32.600 -0.141 0.000 1.430 344 M HN -0.215 nan 8.290 nan 0.000 0.462 345 R N 0.435 120.865 120.500 -0.116 0.000 2.574 345 R HA 0.174 4.514 4.340 0.001 0.000 0.288 345 R C -0.245 175.988 176.300 -0.111 0.000 1.004 345 R CA -0.736 55.303 56.100 -0.102 0.000 0.895 345 R CB 1.629 31.877 30.300 -0.087 0.000 1.191 345 R HN 0.698 nan 8.270 nan 0.000 0.444 346 D N 0.798 121.137 120.400 -0.103 0.000 2.172 346 D HA -0.184 4.457 4.640 0.001 0.000 0.196 346 D C 1.209 177.465 176.300 -0.073 0.000 0.999 346 D CA 1.799 55.742 54.000 -0.095 0.000 0.856 346 D CB 0.131 40.890 40.800 -0.068 0.000 0.934 346 D HN 0.423 nan 8.370 nan 0.000 0.453 347 S N 1.055 116.720 115.700 -0.058 0.000 2.365 347 S HA -0.221 4.250 4.470 0.001 0.000 0.225 347 S C 1.709 176.281 174.600 -0.047 0.000 1.039 347 S CA 1.350 59.525 58.200 -0.042 0.000 1.033 347 S CB -0.359 62.821 63.200 -0.032 0.000 0.887 347 S HN 0.452 nan 8.310 nan 0.000 0.447 348 E N 0.817 120.978 120.200 -0.065 0.000 2.502 348 E HA 0.058 4.409 4.350 0.001 0.000 0.194 348 E C 0.153 176.715 176.600 -0.064 0.000 1.062 348 E CA 0.275 56.635 56.400 -0.066 0.000 0.867 348 E CB 0.055 29.706 29.700 -0.082 0.000 0.888 348 E HN 0.387 nan 8.360 nan 0.000 0.510 349 Q N 1.828 121.588 119.800 -0.067 0.000 2.256 349 Q HA 0.208 4.549 4.340 0.001 0.000 0.254 349 Q C -2.182 173.819 176.000 0.001 0.000 0.916 349 Q CA -2.554 53.234 55.803 -0.025 0.000 0.932 349 Q CB 0.254 28.961 28.738 -0.051 0.000 1.207 349 Q HN 0.044 nan 8.270 nan 0.000 0.426 350 P HA -0.100 nan 4.420 nan 0.000 0.259 350 P C -1.845 175.428 177.300 -0.045 0.000 1.155 350 P CA -0.444 62.658 63.100 0.003 0.000 0.759 350 P CB 0.145 31.865 31.700 0.033 0.000 0.753 351 P HA -0.161 nan 4.420 nan 0.000 0.223 351 P C 0.801 178.054 177.300 -0.078 0.000 1.151 351 P CA 1.297 64.367 63.100 -0.050 0.000 0.787 351 P CB 0.125 31.808 31.700 -0.027 0.000 0.788 352 D N -0.406 119.932 120.400 -0.103 0.000 2.339 352 D HA 0.049 4.689 4.640 0.001 0.000 0.217 352 D C 1.621 177.713 176.300 -0.347 0.000 1.050 352 D CA 0.177 54.103 54.000 -0.123 0.000 0.856 352 D CB -0.160 40.607 40.800 -0.055 0.000 0.922 352 D HN 0.055 nan 8.370 nan 0.000 0.518 353 A N 1.092 123.651 122.820 -0.434 0.000 1.930 353 A HA -0.007 4.313 4.320 0.001 0.000 0.217 353 A C 1.539 178.520 177.584 -1.005 0.000 1.175 353 A CA 1.175 52.748 52.037 -0.774 0.000 0.627 353 A CB -0.423 18.295 19.000 -0.470 0.000 0.815 353 A HN 0.280 nan 8.150 nan 0.000 0.443 354 M N -0.494 118.828 119.600 -0.465 0.000 2.417 354 M HA -0.119 4.361 4.480 0.001 0.000 0.205 354 M C 0.205 176.435 176.300 -0.116 0.000 0.452 354 M CA 0.873 56.040 55.300 -0.222 0.000 0.512 354 M CB -2.629 29.908 32.600 -0.105 0.000 1.774 354 M HN 0.536 nan 8.290 nan 0.000 0.874 355 S N 0.579 116.239 115.700 -0.067 0.000 2.499 355 S HA 0.752 5.223 4.470 0.001 0.000 0.279 355 S C 0.409 175.033 174.600 0.039 0.000 1.219 355 S CA 0.310 58.561 58.200 0.085 0.000 1.062 355 S CB 1.403 64.700 63.200 0.162 0.000 0.978 355 S HN 0.633 nan 8.310 nan 0.000 0.489 356 A N 6.804 129.652 122.820 0.048 0.000 3.317 356 A HA 0.563 4.883 4.320 0.001 0.000 0.307 356 A C -2.059 175.348 177.584 -0.296 0.000 1.003 356 A CA -1.257 50.712 52.037 -0.113 0.000 0.882 356 A CB 0.369 19.363 19.000 -0.010 0.000 1.136 356 A HN 0.633 nan 8.150 nan 0.000 0.488 357 P HA -0.262 nan 4.420 nan 0.000 0.216 357 P C 1.321 178.519 177.300 -0.171 0.000 1.167 357 P CA 1.826 64.822 63.100 -0.175 0.000 0.914 357 P CB 0.275 31.844 31.700 -0.218 0.000 0.793 358 E N -0.681 119.419 120.200 -0.167 0.000 2.118 358 E HA -0.222 4.129 4.350 0.001 0.000 0.195 358 E C 1.843 178.291 176.600 -0.253 0.000 0.992 358 E CA 1.179 57.486 56.400 -0.156 0.000 0.804 358 E CB -0.387 29.245 29.700 -0.113 0.000 0.741 358 E HN 0.367 nan 8.360 nan 0.000 0.458 359 E N 0.164 120.184 120.200 -0.301 0.000 2.358 359 E HA -0.099 4.252 4.350 0.001 0.000 0.195 359 E C 1.579 177.893 176.600 -0.477 0.000 1.010 359 E CA 0.192 56.389 56.400 -0.338 0.000 0.856 359 E CB 0.122 29.700 29.700 -0.203 0.000 0.795 359 E HN 0.070 nan 8.360 nan 0.000 0.504 360 L N -0.298 120.572 121.223 -0.588 0.000 2.162 360 L HA -0.010 4.331 4.340 0.001 0.000 0.205 360 L C 1.840 178.420 176.870 -0.484 0.000 1.086 360 L CA 1.123 55.656 54.840 -0.513 0.000 0.778 360 L CB -0.286 41.559 42.059 -0.355 0.000 0.928 360 L HN -0.013 nan 8.230 nan 0.000 0.446 361 V N -0.220 119.530 119.914 -0.273 0.000 2.295 361 V HA -0.316 3.805 4.120 0.001 0.000 0.246 361 V C 2.534 178.374 176.094 -0.424 0.000 1.049 361 V CA 1.927 64.104 62.300 -0.205 0.000 1.024 361 V CB -0.704 31.147 31.823 0.047 0.000 0.648 361 V HN 0.525 nan 8.190 nan 0.000 0.447 362 Q N -0.602 118.858 119.800 -0.566 0.000 2.170 362 Q HA -0.269 4.072 4.340 0.001 0.000 0.203 362 Q C 2.333 178.074 176.000 -0.432 0.000 0.976 362 Q CA 1.685 57.029 55.803 -0.765 0.000 0.858 362 Q CB -0.133 28.099 28.738 -0.843 0.000 0.907 362 Q HN 0.693 nan 8.270 nan 0.000 0.433 363 Q N 0.192 119.767 119.800 -0.375 0.000 2.020 363 Q HA -0.131 4.210 4.340 0.001 0.000 0.198 363 Q C 2.148 177.939 176.000 -0.349 0.000 0.974 363 Q CA 1.302 56.945 55.803 -0.266 0.000 0.829 363 Q CB 0.233 28.894 28.738 -0.128 0.000 0.894 363 Q HN 0.217 nan 8.270 nan 0.000 0.433 364 V N 1.448 120.989 119.914 -0.622 0.000 2.261 364 V HA -0.278 3.843 4.120 0.001 0.000 0.246 364 V C 2.371 178.099 176.094 -0.611 0.000 1.047 364 V CA 1.540 63.392 62.300 -0.747 0.000 1.015 364 V CB -0.641 30.311 31.823 -1.452 0.000 0.642 364 V HN 0.409 nan 8.190 nan 0.000 0.446 365 L N -0.194 120.629 121.223 -0.666 0.000 2.191 365 L HA -0.132 4.209 4.340 0.001 0.000 0.212 365 L C 2.511 178.878 176.870 -0.838 0.000 1.103 365 L CA 1.474 55.749 54.840 -0.942 0.000 0.769 365 L CB -0.762 40.681 42.059 -1.025 0.000 0.908 365 L HN 0.311 nan 8.230 nan 0.000 0.438 366 S N -0.037 115.500 115.700 -0.272 0.000 2.395 366 S HA 0.004 4.475 4.470 0.001 0.000 0.225 366 S C 2.238 176.856 174.600 0.030 0.000 1.027 366 S CA 0.944 59.204 58.200 0.101 0.000 0.965 366 S CB 0.001 63.172 63.200 -0.047 0.000 0.812 366 S HN 0.471 nan 8.310 nan 0.000 0.482 367 A N 1.585 124.340 122.820 -0.108 0.000 1.898 367 A HA 0.092 4.413 4.320 0.001 0.000 0.216 367 A C 2.266 179.834 177.584 -0.027 0.000 1.181 367 A CA 1.719 53.722 52.037 -0.056 0.000 0.620 367 A CB -1.382 17.577 19.000 -0.069 0.000 0.819 367 A HN 0.502 nan 8.150 nan 0.000 0.442 368 G N -1.318 107.404 108.800 -0.131 0.000 2.433 368 G HA2 -0.225 3.736 3.960 0.001 0.000 0.216 368 G HA3 -0.225 3.736 3.960 0.001 0.000 0.216 368 G C 1.340 176.261 174.900 0.035 0.000 1.186 368 G CA 0.910 45.938 45.100 -0.119 0.000 0.779 368 G HN 0.565 nan 8.290 nan 0.000 0.543 369 W N 0.999 122.337 121.300 0.062 0.000 2.364 369 W HA 0.083 4.743 4.660 0.001 0.000 0.281 369 W C 2.665 179.271 176.519 0.145 0.000 1.219 369 W CA 0.546 57.932 57.345 0.070 0.000 1.220 369 W CB -0.522 28.883 29.460 -0.092 0.000 1.127 369 W HN 0.240 nan 8.180 nan 0.000 0.556 370 R N -0.051 120.681 120.500 0.386 0.000 2.093 370 R HA -0.084 4.257 4.340 0.001 0.000 0.224 370 R C 1.500 177.911 176.300 0.185 0.000 1.101 370 R CA 0.875 57.158 56.100 0.305 0.000 0.979 370 R CB -0.186 30.241 30.300 0.212 0.000 0.877 370 R HN -0.101 nan 8.270 nan 0.000 0.441 371 E N -0.312 119.968 120.200 0.134 0.000 2.463 371 E HA 0.042 4.393 4.350 0.001 0.000 0.191 371 E C 0.796 177.450 176.600 0.090 0.000 1.083 371 E CA 0.452 56.904 56.400 0.086 0.000 0.872 371 E CB 0.416 30.145 29.700 0.049 0.000 0.966 371 E HN 0.527 nan 8.360 nan 0.000 0.491 372 G N 1.096 109.977 108.800 0.136 0.000 2.155 372 G HA2 -0.301 3.659 3.960 0.001 0.000 0.257 372 G HA3 -0.301 3.659 3.960 0.001 0.000 0.257 372 G C 0.344 175.311 174.900 0.111 0.000 0.983 372 G CA 0.500 45.676 45.100 0.126 0.000 0.676 372 G HN 0.263 nan 8.290 nan 0.000 0.528 373 L N -0.448 120.842 121.223 0.111 0.000 2.421 373 L HA 0.413 4.754 4.340 0.001 0.000 0.263 373 L C 0.673 177.612 176.870 0.115 0.000 1.122 373 L CA -0.878 54.001 54.840 0.064 0.000 0.804 373 L CB 0.674 42.744 42.059 0.018 0.000 1.150 373 L HN 0.091 nan 8.230 nan 0.000 0.457 374 N N -0.040 118.673 118.700 0.022 0.000 2.518 374 N HA 0.435 5.176 4.740 0.001 0.000 0.283 374 N C -1.022 174.515 175.510 0.045 0.000 1.119 374 N CA -0.323 52.753 53.050 0.044 0.000 0.983 374 N CB 1.700 40.023 38.487 -0.273 0.000 1.139 374 N HN 0.203 nan 8.380 nan 0.000 0.465 375 V N 0.915 120.933 119.914 0.173 0.000 2.769 375 V HA 0.630 4.751 4.120 0.001 0.000 0.312 375 V C -0.328 175.886 176.094 0.200 0.000 1.061 375 V CA -0.507 61.838 62.300 0.074 0.000 0.931 375 V CB 1.958 33.675 31.823 -0.175 0.000 1.010 375 V HN 0.636 nan 8.190 nan 0.000 0.433 376 S N 0.999 116.786 115.700 0.145 0.000 2.556 376 S HA 0.692 5.162 4.470 0.001 0.000 0.271 376 S C -0.966 173.727 174.600 0.155 0.000 1.135 376 S CA -0.387 57.927 58.200 0.190 0.000 0.858 376 S CB 1.902 65.196 63.200 0.156 0.000 1.114 376 S HN 0.810 nan 8.310 nan 0.000 0.468 377 C N 1.194 120.624 119.300 0.217 0.000 2.871 377 C HA 0.875 5.335 4.460 0.001 0.000 0.351 377 C C -0.567 174.419 174.990 -0.007 0.000 1.338 377 C CA -0.457 58.685 59.018 0.207 0.000 1.686 377 C CB 1.671 29.652 27.740 0.402 0.000 2.135 377 C HN 0.968 nan 8.230 nan 0.000 0.476 378 E N 1.374 121.544 120.200 -0.050 0.000 2.347 378 E HA 0.208 4.559 4.350 0.001 0.000 0.285 378 E C -1.323 175.243 176.600 -0.058 0.000 0.925 378 E CA -0.368 55.828 56.400 -0.340 0.000 0.779 378 E CB 1.072 30.599 29.700 -0.288 0.000 1.233 378 E HN 0.875 nan 8.360 nan 0.000 0.414 379 N N 2.578 121.324 118.700 0.077 0.000 2.453 379 N HA 0.074 4.815 4.740 0.001 0.000 0.253 379 N C 0.411 175.856 175.510 -0.108 0.000 1.252 379 N CA 0.450 53.543 53.050 0.071 0.000 0.917 379 N CB 1.566 40.106 38.487 0.089 0.000 1.117 379 N HN 0.471 nan 8.380 nan 0.000 0.442 380 A N 1.753 124.506 122.820 -0.112 0.000 2.030 380 A HA 0.207 4.527 4.320 0.001 0.000 0.215 380 A C 0.981 178.491 177.584 -0.123 0.000 1.164 380 A CA 0.374 52.340 52.037 -0.117 0.000 0.697 380 A CB 0.083 19.033 19.000 -0.083 0.000 0.827 380 A HN 0.646 nan 8.150 nan 0.000 0.457 381 L N -0.067 121.066 121.223 -0.150 0.000 2.333 381 L HA 0.378 4.719 4.340 0.001 0.000 0.263 381 L C -2.512 174.208 176.870 -0.249 0.000 1.014 381 L CA -2.582 52.155 54.840 -0.172 0.000 0.820 381 L CB 2.112 44.077 42.059 -0.156 0.000 1.352 381 L HN -0.058 nan 8.230 nan 0.000 0.421 382 P HA 0.063 nan 4.420 nan 0.000 0.260 382 P C -0.992 176.015 177.300 -0.488 0.000 1.207 382 P CA 0.069 62.946 63.100 -0.371 0.000 0.780 382 P CB 0.494 32.069 31.700 -0.207 0.000 0.789 383 R N 3.324 123.431 120.500 -0.654 0.000 2.538 383 R HA 0.395 4.736 4.340 0.001 0.000 0.292 383 R C -0.563 175.347 176.300 -0.649 0.000 1.008 383 R CA -0.513 55.239 56.100 -0.580 0.000 0.896 383 R CB 0.936 31.006 30.300 -0.384 0.000 1.187 383 R HN 0.334 nan 8.270 nan 0.000 0.440 384 Y N 0.969 121.217 120.300 -0.086 0.000 2.682 384 Y HA 0.266 4.816 4.550 0.001 0.000 0.251 384 Y C -0.195 175.612 175.900 -0.155 0.000 1.172 384 Y CA -0.916 57.152 58.100 -0.052 0.000 1.186 384 Y CB 0.489 39.000 38.460 0.084 0.000 1.216 384 Y HN 0.412 nan 8.280 nan 0.000 0.540 385 D N 0.173 120.454 120.400 -0.197 0.000 2.253 385 D HA 0.162 4.803 4.640 0.001 0.000 0.249 385 D C -2.257 173.916 176.300 -0.211 0.000 1.049 385 D CA -1.910 52.014 54.000 -0.126 0.000 0.929 385 D CB 2.247 42.994 40.800 -0.088 0.000 1.176 385 D HN -0.051 nan 8.370 nan 0.000 0.437 386 P HA -0.126 nan 4.420 nan 0.000 0.219 386 P C 1.361 178.670 177.300 0.015 0.000 1.146 386 P CA 1.322 64.483 63.100 0.103 0.000 0.808 386 P CB 0.178 31.940 31.700 0.104 0.000 0.779 387 T N -0.816 113.711 114.554 -0.043 0.000 2.708 387 T HA -0.154 4.196 4.350 0.001 0.000 0.266 387 T C 1.845 176.480 174.700 -0.108 0.000 1.037 387 T CA 1.688 63.760 62.100 -0.047 0.000 1.146 387 T CB -0.846 67.992 68.868 -0.049 0.000 0.865 387 T HN 0.045 nan 8.240 nan 0.000 0.435 388 A N 0.454 123.138 122.820 -0.227 0.000 1.877 388 A HA -0.082 4.239 4.320 0.001 0.000 0.216 388 A C 2.028 179.425 177.584 -0.313 0.000 1.186 388 A CA 1.462 53.307 52.037 -0.318 0.000 0.620 388 A CB -0.989 17.703 19.000 -0.515 0.000 0.822 388 A HN 0.551 nan 8.150 nan 0.000 0.443 389 Y N 0.741 120.892 120.300 -0.248 0.000 2.293 389 Y HA -0.109 4.442 4.550 0.001 0.000 0.291 389 Y C 2.335 178.165 175.900 -0.117 0.000 1.137 389 Y CA 0.993 58.876 58.100 -0.363 0.000 1.202 389 Y CB -0.486 37.733 38.460 -0.401 0.000 0.990 389 Y HN 0.332 nan 8.280 nan 0.000 0.537 390 N N -0.939 117.804 118.700 0.071 0.000 2.300 390 N HA -0.094 4.646 4.740 0.001 0.000 0.179 390 N C 1.749 177.273 175.510 0.022 0.000 1.016 390 N CA 1.528 54.618 53.050 0.067 0.000 0.876 390 N CB -0.529 38.007 38.487 0.082 0.000 0.979 390 N HN 0.284 nan 8.380 nan 0.000 0.432 391 T N 2.009 116.547 114.554 -0.026 0.000 2.737 391 T HA 0.037 4.388 4.350 0.001 0.000 0.265 391 T C 2.146 176.832 174.700 -0.023 0.000 1.038 391 T CA 0.597 62.671 62.100 -0.042 0.000 1.144 391 T CB -0.136 68.691 68.868 -0.067 0.000 0.866 391 T HN 0.139 nan 8.240 nan 0.000 0.434 392 I N 0.720 121.252 120.570 -0.064 0.000 2.127 392 I HA -0.180 3.991 4.170 0.001 0.000 0.241 392 I C 2.309 178.403 176.117 -0.038 0.000 1.075 392 I CA 1.342 62.569 61.300 -0.121 0.000 1.334 392 I CB -0.390 37.420 38.000 -0.317 0.000 1.040 392 I HN 0.177 nan 8.210 nan 0.000 0.405 393 L N 0.112 121.350 121.223 0.025 0.000 2.127 393 L HA -0.220 4.120 4.340 0.001 0.000 0.211 393 L C 2.763 179.633 176.870 0.001 0.000 1.089 393 L CA 0.998 55.849 54.840 0.019 0.000 0.757 393 L CB -0.506 41.580 42.059 0.045 0.000 0.899 393 L HN 0.246 nan 8.230 nan 0.000 0.434 394 R N 0.599 121.107 120.500 0.013 0.000 2.061 394 R HA -0.135 4.206 4.340 0.001 0.000 0.230 394 R C 1.815 178.112 176.300 -0.006 0.000 1.140 394 R CA 1.746 57.852 56.100 0.011 0.000 0.940 394 R CB -0.641 29.676 30.300 0.028 0.000 0.839 394 R HN 0.441 nan 8.270 nan 0.000 0.429 395 N N 0.846 119.589 118.700 0.072 0.000 2.364 395 N HA -0.133 4.608 4.740 0.001 0.000 0.183 395 N C 1.556 177.138 175.510 0.120 0.000 1.022 395 N CA 1.142 54.287 53.050 0.158 0.000 0.883 395 N CB -0.101 38.527 38.487 0.234 0.000 0.965 395 N HN 0.307 nan 8.380 nan 0.000 0.438 396 A N 1.141 123.997 122.820 0.061 0.000 1.872 396 A HA 0.026 4.346 4.320 0.001 0.000 0.214 396 A C 1.095 178.686 177.584 0.011 0.000 1.187 396 A CA 0.889 52.971 52.037 0.075 0.000 0.614 396 A CB 0.068 19.083 19.000 0.025 0.000 0.826 396 A HN 0.153 nan 8.150 nan 0.000 0.442 397 R N -0.663 119.792 120.500 -0.076 0.000 2.415 397 R HA 0.302 4.643 4.340 0.001 0.000 0.292 397 R C -2.456 173.700 176.300 -0.241 0.000 1.295 397 R CA -1.743 54.263 56.100 -0.157 0.000 1.137 397 R CB 1.452 31.690 30.300 -0.103 0.000 1.135 397 R HN 0.194 nan 8.270 nan 0.000 0.560 398 P HA -0.144 nan 4.420 nan 0.000 0.215 398 P C 0.295 177.441 177.300 -0.257 0.000 1.157 398 P CA 1.349 64.030 63.100 -0.698 0.000 0.863 398 P CB 0.189 31.073 31.700 -1.360 0.000 0.787 399 H N -1.565 117.379 119.070 -0.210 0.000 2.547 399 H HA 0.322 4.879 4.556 0.001 0.000 0.266 399 H C 1.204 176.477 175.328 -0.091 0.000 0.988 399 H CA -0.217 55.761 56.048 -0.117 0.000 1.147 399 H CB -0.294 29.392 29.762 -0.126 0.000 1.365 399 H HN 0.160 nan 8.280 nan 0.000 0.589 400 G N 1.329 110.116 108.800 -0.021 0.000 2.796 400 G HA2 -0.289 3.672 3.960 0.001 0.000 0.226 400 G HA3 -0.289 3.672 3.960 0.001 0.000 0.226 400 G C -0.513 174.369 174.900 -0.030 0.000 1.381 400 G CA -0.666 44.420 45.100 -0.023 0.000 0.867 400 G HN 0.141 nan 8.290 nan 0.000 0.552 401 I N 1.005 121.558 120.570 -0.029 0.000 2.775 401 I HA 0.163 4.334 4.170 0.001 0.000 0.290 401 I C 0.807 176.908 176.117 -0.026 0.000 1.203 401 I CA 0.532 61.814 61.300 -0.030 0.000 1.433 401 I CB 0.780 38.764 38.000 -0.027 0.000 1.354 401 I HN 0.653 nan 8.210 nan 0.000 0.579 402 N N 5.121 123.802 118.700 -0.032 0.000 2.804 402 N HA 0.160 4.901 4.740 0.001 0.000 0.251 402 N C 0.569 176.062 175.510 -0.029 0.000 1.250 402 N CA -0.591 52.440 53.050 -0.033 0.000 0.820 402 N CB 0.763 39.223 38.487 -0.045 0.000 1.156 402 N HN 0.618 nan 8.380 nan 0.000 0.512 403 Q N 0.060 119.846 119.800 -0.024 0.000 2.364 403 Q HA 0.010 4.351 4.340 0.001 0.000 0.207 403 Q C 0.134 176.122 176.000 -0.020 0.000 0.970 403 Q CA 1.014 56.805 55.803 -0.020 0.000 0.888 403 Q CB -0.018 28.710 28.738 -0.017 0.000 0.951 403 Q HN 0.301 nan 8.270 nan 0.000 0.469 404 S N 0.090 115.776 115.700 -0.023 0.000 2.593 404 S HA 0.310 4.781 4.470 0.001 0.000 0.217 404 S C 0.499 175.083 174.600 -0.027 0.000 0.966 404 S CA 0.133 58.319 58.200 -0.023 0.000 0.914 404 S CB 0.721 63.907 63.200 -0.024 0.000 0.776 404 S HN 0.644 nan 8.310 nan 0.000 0.523 405 G N 1.794 110.576 108.800 -0.030 0.000 2.588 405 G HA2 0.467 4.427 3.960 0.001 0.000 0.281 405 G HA3 0.467 4.427 3.960 0.001 0.000 0.281 405 G C -3.435 171.444 174.900 -0.036 0.000 1.223 405 G CA -0.738 44.341 45.100 -0.035 0.000 0.871 405 G HN 0.024 nan 8.290 nan 0.000 0.492 406 P HA 0.415 nan 4.420 nan 0.000 0.296 406 P C -2.747 174.503 177.300 -0.083 0.000 1.301 406 P CA -1.528 61.541 63.100 -0.053 0.000 0.862 406 P CB 1.991 33.664 31.700 -0.045 0.000 1.046 407 P HA 0.113 nan 4.420 nan 0.000 0.274 407 P C 1.055 178.219 177.300 -0.227 0.000 1.231 407 P CA -0.037 62.981 63.100 -0.137 0.000 0.790 407 P CB 1.330 32.951 31.700 -0.131 0.000 0.951 408 E N 0.745 120.774 120.200 -0.284 0.000 2.068 408 E HA -0.209 4.142 4.350 0.001 0.000 0.207 408 E C -0.006 176.093 176.600 -0.834 0.000 1.032 408 E CA 1.720 57.792 56.400 -0.547 0.000 0.839 408 E CB -0.151 29.179 29.700 -0.616 0.000 0.758 408 E HN 0.647 nan 8.360 nan 0.000 0.457 409 H N -1.513 117.178 119.070 -0.632 0.000 2.600 409 H HA 0.453 5.010 4.556 0.001 0.000 0.357 409 H C -0.322 174.486 175.328 -0.867 0.000 1.106 409 H CA -0.752 54.605 56.048 -1.151 0.000 1.193 409 H CB 1.979 30.672 29.762 -1.782 0.000 1.594 409 H HN -0.177 nan 8.280 nan 0.000 0.526 410 K N 2.767 122.831 120.400 -0.561 0.000 2.578 410 K HA 0.261 4.582 4.320 0.001 0.000 0.269 410 K C -1.452 175.260 176.600 0.187 0.000 0.941 410 K CA -0.621 55.574 56.287 -0.152 0.000 0.847 410 K CB 2.281 34.725 32.500 -0.094 0.000 1.397 410 K HN 0.522 nan 8.250 nan 0.000 0.422 411 L N 4.072 125.473 121.223 0.295 0.000 2.397 411 L HA 0.147 4.488 4.340 0.001 0.000 0.271 411 L C 1.503 178.578 176.870 0.341 0.000 1.148 411 L CA -0.188 54.894 54.840 0.403 0.000 0.825 411 L CB 0.238 42.499 42.059 0.336 0.000 1.117 411 L HN 0.715 nan 8.230 nan 0.000 0.456 412 F N 1.896 121.969 119.950 0.206 0.000 2.102 412 F HA 0.053 4.581 4.527 0.001 0.000 0.298 412 F C 1.077 176.974 175.800 0.161 0.000 1.105 412 F CA 1.106 59.197 58.000 0.152 0.000 1.239 412 F CB 0.129 39.197 39.000 0.112 0.000 0.991 412 F HN 0.414 nan 8.300 nan 0.000 0.474 413 G N -1.871 107.051 108.800 0.203 0.000 2.579 413 G HA2 0.380 4.341 3.960 0.001 0.000 0.292 413 G HA3 0.380 4.341 3.960 0.001 0.000 0.292 413 G C -2.212 172.837 174.900 0.248 0.000 1.484 413 G CA -0.691 44.499 45.100 0.152 0.000 0.813 413 G HN 0.065 nan 8.290 nan 0.000 0.515 414 F N 0.896 120.937 119.950 0.151 0.000 2.480 414 F HA 0.785 5.313 4.527 0.001 0.000 0.329 414 F C -0.058 175.891 175.800 0.247 0.000 1.091 414 F CA -0.574 57.539 58.000 0.189 0.000 0.972 414 F CB 2.661 41.801 39.000 0.234 0.000 1.150 414 F HN 0.359 nan 8.300 nan 0.000 0.467 415 T N 5.987 120.131 114.554 -0.683 0.000 2.934 415 T HA 0.166 4.517 4.350 0.001 0.000 0.328 415 T C -1.249 173.106 174.700 -0.576 0.000 1.068 415 T CA -0.235 61.661 62.100 -0.341 0.000 1.018 415 T CB -0.146 68.585 68.868 -0.229 0.000 1.009 415 T HN 0.497 nan 8.240 nan 0.000 0.471 416 Y N 3.746 123.905 120.300 -0.235 0.000 2.497 416 Y HA 0.465 5.015 4.550 0.001 0.000 0.334 416 Y C -0.345 175.576 175.900 0.036 0.000 1.199 416 Y CA -0.694 57.448 58.100 0.071 0.000 1.425 416 Y CB 0.483 39.315 38.460 0.620 0.000 1.291 416 Y HN 0.573 nan 8.280 nan 0.000 0.562 417 L N 8.252 129.115 121.223 -0.600 0.000 2.280 417 L HA 0.578 4.919 4.340 0.001 0.000 0.287 417 L C -0.656 175.868 176.870 -0.577 0.000 1.023 417 L CA -0.401 54.203 54.840 -0.392 0.000 0.819 417 L CB 0.527 42.399 42.059 -0.312 0.000 1.212 417 L HN 0.885 nan 8.230 nan 0.000 0.420 418 R N 3.791 124.244 120.500 -0.078 0.000 2.810 418 R HA 0.517 4.858 4.340 0.001 0.000 0.266 418 R C -1.770 174.667 176.300 0.229 0.000 1.061 418 R CA -0.868 55.291 56.100 0.098 0.000 0.943 418 R CB 1.381 31.709 30.300 0.047 0.000 1.237 418 R HN 0.621 nan 8.270 nan 0.000 0.459 419 L N 2.380 123.701 121.223 0.162 0.000 2.319 419 L HA 0.404 4.744 4.340 0.001 0.000 0.280 419 L C -1.010 175.929 176.870 0.114 0.000 1.099 419 L CA 0.197 55.111 54.840 0.124 0.000 0.828 419 L CB 1.165 43.283 42.059 0.098 0.000 1.150 419 L HN 0.828 nan 8.230 nan 0.000 0.442 420 S N 0.910 116.671 115.700 0.102 0.000 2.625 420 S HA 0.221 4.691 4.470 0.001 0.000 0.271 420 S C 0.264 174.886 174.600 0.037 0.000 1.161 420 S CA -0.578 57.671 58.200 0.082 0.000 0.820 420 S CB 1.396 64.669 63.200 0.123 0.000 1.137 420 S HN 0.743 nan 8.310 nan 0.000 0.470 421 N N 0.805 119.514 118.700 0.015 0.000 2.223 421 N HA -0.209 4.532 4.740 0.001 0.000 0.185 421 N C 1.381 176.868 175.510 -0.038 0.000 1.016 421 N CA 1.218 54.258 53.050 -0.016 0.000 0.863 421 N CB -0.379 38.097 38.487 -0.018 0.000 0.983 421 N HN 0.660 nan 8.380 nan 0.000 0.429 422 Q N -0.579 119.193 119.800 -0.047 0.000 2.167 422 Q HA -0.042 4.298 4.340 0.001 0.000 0.202 422 Q C 1.876 177.803 176.000 -0.122 0.000 0.970 422 Q CA 0.887 56.615 55.803 -0.124 0.000 0.855 422 Q CB -0.074 28.525 28.738 -0.232 0.000 0.911 422 Q HN 0.420 nan 8.270 nan 0.000 0.438 423 L N 0.386 121.593 121.223 -0.026 0.000 2.044 423 L HA -0.089 4.252 4.340 0.001 0.000 0.205 423 L C 1.987 178.891 176.870 0.058 0.000 1.075 423 L CA 1.338 56.187 54.840 0.014 0.000 0.747 423 L CB -0.287 41.771 42.059 -0.003 0.000 0.903 423 L HN 0.126 nan 8.230 nan 0.000 0.435 424 V N -2.421 117.493 119.914 0.001 0.000 3.573 424 V HA 0.111 4.232 4.120 0.001 0.000 0.270 424 V C 0.737 176.704 176.094 -0.213 0.000 1.221 424 V CA 0.226 62.477 62.300 -0.081 0.000 1.163 424 V CB -1.123 30.599 31.823 -0.169 0.000 0.847 424 V HN 0.413 nan 8.190 nan 0.000 0.468 425 E N 0.687 120.852 120.200 -0.058 0.000 2.191 425 E HA 0.559 4.910 4.350 0.001 0.000 0.278 425 E C 1.160 177.791 176.600 0.052 0.000 0.972 425 E CA 0.528 56.897 56.400 -0.053 0.000 0.804 425 E CB 1.249 30.915 29.700 -0.058 0.000 1.110 425 E HN 0.344 nan 8.360 nan 0.000 0.394 426 G N 3.765 112.602 108.800 0.061 0.000 2.693 426 G HA2 -0.457 3.504 3.960 0.001 0.000 0.354 426 G HA3 -0.457 3.504 3.960 0.001 0.000 0.354 426 G C 1.124 176.112 174.900 0.145 0.000 1.207 426 G CA 0.913 46.073 45.100 0.100 0.000 0.958 426 G HN 0.596 nan 8.290 nan 0.000 0.560 427 Q N 0.206 120.055 119.800 0.083 0.000 2.020 427 Q HA -0.095 4.246 4.340 0.001 0.000 0.202 427 Q C 2.742 178.803 176.000 0.102 0.000 0.982 427 Q CA 2.122 57.971 55.803 0.076 0.000 0.838 427 Q CB -0.657 28.110 28.738 0.047 0.000 0.899 427 Q HN 0.643 nan 8.270 nan 0.000 0.423 428 N N -0.272 118.484 118.700 0.093 0.000 2.289 428 N HA -0.157 4.583 4.740 0.001 0.000 0.184 428 N C 1.467 177.100 175.510 0.206 0.000 1.016 428 N CA 0.767 53.899 53.050 0.137 0.000 0.872 428 N CB -0.396 38.088 38.487 -0.005 0.000 0.973 428 N HN 0.291 nan 8.380 nan 0.000 0.433 429 Y N 0.757 121.097 120.300 0.066 0.000 2.184 429 Y HA 0.006 4.557 4.550 0.001 0.000 0.290 429 Y C 2.232 178.196 175.900 0.106 0.000 1.129 429 Y CA 0.793 58.944 58.100 0.085 0.000 1.144 429 Y CB -0.560 37.923 38.460 0.038 0.000 0.995 429 Y HN -0.111 nan 8.280 nan 0.000 0.513 430 V N 0.742 120.628 119.914 -0.046 0.000 2.809 430 V HA -0.229 3.892 4.120 0.001 0.000 0.256 430 V C 1.444 177.465 176.094 -0.121 0.000 1.080 430 V CA 2.226 64.442 62.300 -0.141 0.000 1.102 430 V CB -0.629 31.188 31.823 -0.010 0.000 0.705 430 V HN 0.546 nan 8.190 nan 0.000 0.475 431 N N -0.579 118.106 118.700 -0.024 0.000 2.173 431 N HA -0.105 4.636 4.740 0.001 0.000 0.184 431 N C 1.742 177.136 175.510 -0.193 0.000 1.025 431 N CA 1.388 54.436 53.050 -0.003 0.000 0.852 431 N CB -0.283 38.327 38.487 0.205 0.000 0.998 431 N HN 0.521 nan 8.380 nan 0.000 0.427 432 F N 2.633 122.405 119.950 -0.296 0.000 2.126 432 F HA -0.150 4.378 4.527 0.002 0.000 0.299 432 F C 2.278 177.865 175.800 -0.355 0.000 1.096 432 F CA 1.458 59.202 58.000 -0.427 0.000 1.255 432 F CB -0.045 38.811 39.000 -0.241 0.000 0.997 432 F HN -0.139 nan 8.300 nan 0.000 0.479 433 K N -0.789 119.364 120.400 -0.412 0.000 2.001 433 K HA -0.196 4.125 4.320 0.001 0.000 0.208 433 K C 2.273 178.614 176.600 -0.431 0.000 1.048 433 K CA 1.794 57.797 56.287 -0.473 0.000 0.932 433 K CB -0.714 31.484 32.500 -0.504 0.000 0.715 433 K HN 0.262 nan 8.250 nan 0.000 0.437 434 T N 0.206 114.568 114.554 -0.320 0.000 2.929 434 T HA -0.149 4.202 4.350 0.001 0.000 0.271 434 T C 1.457 175.983 174.700 -0.289 0.000 1.085 434 T CA 1.121 63.069 62.100 -0.253 0.000 1.125 434 T CB -0.331 68.444 68.868 -0.155 0.000 0.874 434 T HN 0.363 nan 8.240 nan 0.000 0.494 435 F N 1.322 120.914 119.950 -0.596 0.000 2.113 435 F HA 0.041 4.569 4.527 0.001 0.000 0.297 435 F C 2.032 177.428 175.800 -0.674 0.000 1.103 435 F CA 0.885 58.475 58.000 -0.684 0.000 1.248 435 F CB -0.828 37.450 39.000 -1.203 0.000 0.999 435 F HN 0.004 nan 8.300 nan 0.000 0.475 436 V N 1.287 120.553 119.914 -1.080 0.000 2.407 436 V HA -0.283 3.837 4.120 0.001 0.000 0.248 436 V C 2.279 177.784 176.094 -0.982 0.000 1.055 436 V CA 2.183 63.737 62.300 -1.242 0.000 1.049 436 V CB -0.812 30.388 31.823 -1.038 0.000 0.662 436 V HN 0.370 nan 8.190 nan 0.000 0.455 437 D N -0.066 119.964 120.400 -0.616 0.000 2.106 437 D HA -0.237 4.404 4.640 0.001 0.000 0.191 437 D C 2.391 178.477 176.300 -0.356 0.000 0.997 437 D CA 1.640 55.403 54.000 -0.395 0.000 0.834 437 D CB -0.071 40.578 40.800 -0.251 0.000 0.956 437 D HN 0.201 nan 8.370 nan 0.000 0.448 438 R N 0.160 120.455 120.500 -0.342 0.000 2.096 438 R HA -0.056 4.285 4.340 0.001 0.000 0.235 438 R C 2.065 178.175 176.300 -0.317 0.000 1.127 438 R CA 0.732 56.678 56.100 -0.256 0.000 0.968 438 R CB -0.413 29.779 30.300 -0.182 0.000 0.861 438 R HN 0.104 nan 8.270 nan 0.000 0.440 439 M N -0.862 118.422 119.600 -0.528 0.000 2.374 439 M HA -0.078 4.403 4.480 0.001 0.000 0.264 439 M C 0.751 176.806 176.300 -0.408 0.000 1.067 439 M CA 1.717 56.712 55.300 -0.507 0.000 1.103 439 M CB -0.007 32.114 32.600 -0.798 0.000 1.402 439 M HN 0.252 nan 8.290 nan 0.000 0.444 440 H N -1.021 117.702 119.070 -0.578 0.000 2.526 440 H HA 0.468 5.024 4.556 0.001 0.000 0.274 440 H C 0.729 175.827 175.328 -0.383 0.000 0.999 440 H CA 0.030 55.606 56.048 -0.786 0.000 1.157 440 H CB 0.144 29.417 29.762 -0.816 0.000 1.407 440 H HN 0.406 nan 8.280 nan 0.000 0.568 441 A N 1.586 124.315 122.820 -0.151 0.000 2.869 441 A HA -0.306 4.015 4.320 0.001 0.000 0.280 441 A C 0.843 178.392 177.584 -0.059 0.000 1.458 441 A CA 0.646 52.634 52.037 -0.083 0.000 0.776 441 A CB -2.220 16.759 19.000 -0.036 0.000 1.028 441 A HN 0.778 nan 8.150 nan 0.000 0.547 442 N N -3.219 115.428 118.700 -0.088 0.000 2.765 442 N HA -0.218 4.523 4.740 0.001 0.000 0.248 442 N C 0.144 175.639 175.510 -0.024 0.000 1.063 442 N CA 1.847 54.855 53.050 -0.069 0.000 0.862 442 N CB -1.546 36.903 38.487 -0.062 0.000 1.145 442 N HN 0.876 nan 8.380 nan 0.000 0.581 443 L N 0.602 121.832 121.223 0.013 0.000 2.472 443 L HA 0.301 4.642 4.340 0.001 0.000 0.260 443 L C -1.532 175.383 176.870 0.074 0.000 1.209 443 L CA -1.315 53.558 54.840 0.055 0.000 0.817 443 L CB 0.040 42.172 42.059 0.122 0.000 1.106 443 L HN -0.122 nan 8.230 nan 0.000 0.479 444 P HA 0.091 nan 4.420 nan 0.000 0.275 444 P C -0.842 176.515 177.300 0.096 0.000 1.228 444 P CA -0.643 62.493 63.100 0.060 0.000 0.786 444 P CB 0.463 32.174 31.700 0.019 0.000 0.927 445 R N 2.669 123.225 120.500 0.094 0.000 2.523 445 R HA -0.042 4.299 4.340 0.001 0.000 0.281 445 R C -0.706 175.542 176.300 -0.086 0.000 0.969 445 R CA 0.913 57.043 56.100 0.049 0.000 1.093 445 R CB -0.591 29.737 30.300 0.047 0.000 0.917 445 R HN 0.480 nan 8.270 nan 0.000 0.408 446 D N 5.069 125.315 120.400 -0.257 0.000 2.593 446 D HA 0.365 5.006 4.640 0.001 0.000 0.251 446 D C -2.041 173.992 176.300 -0.444 0.000 1.140 446 D CA -2.057 51.699 54.000 -0.406 0.000 0.855 446 D CB 2.008 42.491 40.800 -0.529 0.000 1.267 446 D HN 0.248 nan 8.370 nan 0.000 0.532 447 P HA 0.057 nan 4.420 nan 0.000 0.238 447 P C 0.192 177.358 177.300 -0.223 0.000 1.183 447 P CA 0.322 63.191 63.100 -0.384 0.000 0.813 447 P CB 0.245 31.651 31.700 -0.491 0.000 0.944 448 Y N -0.699 119.517 120.300 -0.140 0.000 2.496 448 Y HA 0.246 4.797 4.550 0.001 0.000 0.313 448 Y C 0.950 176.769 175.900 -0.135 0.000 1.184 448 Y CA -1.187 56.848 58.100 -0.109 0.000 1.275 448 Y CB -0.872 37.536 38.460 -0.086 0.000 1.103 448 Y HN -0.192 nan 8.280 nan 0.000 0.513 449 V N 0.904 120.764 119.914 -0.090 0.000 2.617 449 V HA 0.240 4.361 4.120 0.001 0.000 0.298 449 V C 0.118 176.150 176.094 -0.103 0.000 1.048 449 V CA -0.668 61.520 62.300 -0.187 0.000 0.964 449 V CB 1.178 32.702 31.823 -0.498 0.000 1.004 449 V HN 0.426 nan 8.190 nan 0.000 0.466 450 D N 3.557 123.922 120.400 -0.058 0.000 2.697 450 D HA -0.114 4.527 4.640 0.001 0.000 0.235 450 D C -2.145 174.220 176.300 0.107 0.000 1.167 450 D CA 0.534 54.556 54.000 0.038 0.000 0.656 450 D CB -0.731 40.013 40.800 -0.092 0.000 1.025 450 D HN 0.579 nan 8.370 nan 0.000 0.419 451 P HA 0.117 nan 4.420 nan 0.000 0.271 451 P C 0.315 177.684 177.300 0.114 0.000 1.220 451 P CA -0.101 63.056 63.100 0.095 0.000 0.768 451 P CB 0.767 32.503 31.700 0.060 0.000 0.848 452 M N 2.225 121.900 119.600 0.125 0.000 2.368 452 M HA 0.520 5.000 4.480 0.001 0.000 0.311 452 M C 0.504 176.853 176.300 0.081 0.000 1.168 452 M CA -0.455 54.914 55.300 0.114 0.000 1.044 452 M CB 1.356 34.033 32.600 0.129 0.000 1.506 452 M HN 0.391 nan 8.290 nan 0.000 0.475 453 A N 1.612 124.472 122.820 0.066 0.000 2.320 453 A HA 0.784 5.104 4.320 0.001 0.000 0.334 453 A C -2.604 175.013 177.584 0.054 0.000 1.147 453 A CA -1.801 50.265 52.037 0.049 0.000 0.820 453 A CB 0.138 19.160 19.000 0.036 0.000 1.218 453 A HN 0.460 nan 8.150 nan 0.000 0.482 454 P HA 0.022 nan 4.420 nan 0.000 0.265 454 P C -0.058 177.274 177.300 0.053 0.000 1.222 454 P CA -0.183 62.941 63.100 0.040 0.000 0.767 454 P CB 0.242 31.938 31.700 -0.006 0.000 0.801 455 L N 6.284 127.562 121.223 0.093 0.000 2.771 455 L HA -0.038 4.303 4.340 0.001 0.000 0.278 455 L C -1.990 174.928 176.870 0.080 0.000 1.175 455 L CA -0.587 54.314 54.840 0.101 0.000 0.973 455 L CB -0.091 42.068 42.059 0.168 0.000 1.286 455 L HN 0.267 nan 8.230 nan 0.000 0.481 456 P HA 0.187 nan 4.420 nan 0.000 0.277 456 P C -0.825 176.514 177.300 0.066 0.000 1.276 456 P CA -0.612 62.519 63.100 0.051 0.000 0.788 456 P CB 0.531 32.254 31.700 0.038 0.000 1.114 457 R N 0.224 120.758 120.500 0.056 0.000 2.457 457 R HA 0.382 4.723 4.340 0.001 0.000 0.284 457 R C -0.549 175.794 176.300 0.071 0.000 1.024 457 R CA -0.090 56.051 56.100 0.068 0.000 1.025 457 R CB -0.042 30.290 30.300 0.053 0.000 1.063 457 R HN 0.358 nan 8.270 nan 0.000 0.493 458 S N 1.655 117.418 115.700 0.105 0.000 2.544 458 S HA 0.211 4.682 4.470 0.001 0.000 0.290 458 S C 0.426 175.051 174.600 0.043 0.000 1.276 458 S CA 0.098 58.367 58.200 0.116 0.000 1.075 458 S CB 0.610 63.964 63.200 0.257 0.000 0.849 458 S HN 0.763 nan 8.310 nan 0.000 0.494 459 G N 3.332 112.127 108.800 -0.009 0.000 2.683 459 G HA2 0.363 4.323 3.960 0.001 0.000 0.260 459 G HA3 0.363 4.323 3.960 0.001 0.000 0.260 459 G C -2.701 172.183 174.900 -0.026 0.000 1.238 459 G CA -1.355 43.734 45.100 -0.018 0.000 0.934 459 G HN 0.419 nan 8.290 nan 0.000 0.534 460 P HA 0.039 nan 4.420 nan 0.000 0.264 460 P C 0.065 177.355 177.300 -0.017 0.000 1.183 460 P CA 0.207 63.302 63.100 -0.008 0.000 0.763 460 P CB 0.508 32.205 31.700 -0.004 0.000 0.807 461 E N 3.383 123.583 120.200 -0.001 0.000 2.415 461 E HA 0.100 4.451 4.350 0.001 0.000 0.263 461 E C -0.289 176.310 176.600 -0.003 0.000 0.995 461 E CA -0.215 56.185 56.400 0.001 0.000 0.915 461 E CB 0.134 29.848 29.700 0.024 0.000 0.951 461 E HN 0.350 nan 8.360 nan 0.000 0.449 462 I N 1.380 121.944 120.570 -0.009 0.000 2.474 462 I HA 0.370 4.541 4.170 0.001 0.000 0.294 462 I C 0.340 176.463 176.117 0.009 0.000 1.005 462 I CA -1.084 60.214 61.300 -0.003 0.000 1.113 462 I CB 1.813 39.805 38.000 -0.013 0.000 1.289 462 I HN 0.424 nan 8.210 nan 0.000 0.436 463 S N 5.136 120.846 115.700 0.017 0.000 2.589 463 S HA 0.087 4.558 4.470 0.001 0.000 0.256 463 S C 1.095 175.711 174.600 0.026 0.000 1.383 463 S CA -0.428 57.787 58.200 0.025 0.000 0.983 463 S CB 0.789 64.006 63.200 0.029 0.000 0.908 463 S HN 0.702 nan 8.310 nan 0.000 0.572 464 I N 1.703 122.294 120.570 0.034 0.000 2.252 464 I HA -0.094 4.077 4.170 0.001 0.000 0.245 464 I C 2.410 178.547 176.117 0.034 0.000 1.102 464 I CA 1.380 62.701 61.300 0.034 0.000 1.385 464 I CB -1.434 36.591 38.000 0.042 0.000 1.064 464 I HN 0.780 nan 8.210 nan 0.000 0.414 465 E N 0.082 120.305 120.200 0.039 0.000 2.204 465 E HA -0.221 4.130 4.350 0.001 0.000 0.195 465 E C 2.083 178.698 176.600 0.026 0.000 0.990 465 E CA 1.115 57.538 56.400 0.038 0.000 0.821 465 E CB -0.607 29.120 29.700 0.044 0.000 0.750 465 E HN 0.485 nan 8.360 nan 0.000 0.477 466 M N 0.380 119.992 119.600 0.021 0.000 2.349 466 M HA 0.045 4.526 4.480 0.001 0.000 0.266 466 M C 2.344 178.650 176.300 0.009 0.000 1.076 466 M CA 0.805 56.113 55.300 0.014 0.000 1.126 466 M CB -0.308 32.298 32.600 0.011 0.000 1.392 466 M HN 0.154 nan 8.290 nan 0.000 0.440 467 I N -2.197 118.379 120.570 0.009 0.000 2.716 467 I HA -0.046 4.125 4.170 0.001 0.000 0.259 467 I C 1.651 177.770 176.117 0.003 0.000 1.172 467 I CA 1.072 62.375 61.300 0.005 0.000 1.478 467 I CB -0.309 37.695 38.000 0.007 0.000 1.104 467 I HN 0.038 nan 8.210 nan 0.000 0.439 468 L N 1.610 122.838 121.223 0.008 0.000 2.622 468 L HA -0.007 4.334 4.340 0.001 0.000 0.233 468 L C 2.180 179.045 176.870 -0.007 0.000 1.156 468 L CA 1.425 56.266 54.840 0.002 0.000 0.866 468 L CB -1.135 40.935 42.059 0.019 0.000 0.980 468 L HN 0.656 nan 8.230 nan 0.000 0.448 469 Q N -2.413 117.385 119.800 -0.003 0.000 2.247 469 Q HA 0.235 4.576 4.340 0.001 0.000 0.205 469 Q C 1.170 177.162 176.000 -0.014 0.000 0.896 469 Q CA 0.598 56.397 55.803 -0.006 0.000 0.950 469 Q CB 0.091 28.830 28.738 0.002 0.000 1.054 469 Q HN 0.299 nan 8.270 nan 0.000 0.482 470 A N 0.169 122.977 122.820 -0.020 0.000 2.343 470 A HA 0.517 4.837 4.320 0.001 0.000 0.223 470 A C 2.013 179.570 177.584 -0.044 0.000 1.214 470 A CA 0.520 52.542 52.037 -0.023 0.000 0.900 470 A CB 0.088 19.079 19.000 -0.015 0.000 0.942 470 A HN 0.444 nan 8.150 nan 0.000 0.507 471 A N -0.755 122.030 122.820 -0.059 0.000 1.929 471 A HA 0.096 4.417 4.320 0.001 0.000 0.216 471 A C 1.247 178.771 177.584 -0.099 0.000 1.176 471 A CA 1.031 53.010 52.037 -0.096 0.000 0.628 471 A CB -0.126 18.800 19.000 -0.123 0.000 0.816 471 A HN 0.456 nan 8.150 nan 0.000 0.444 472 Q N -0.065 119.691 119.800 -0.073 0.000 2.282 472 Q HA 0.528 4.869 4.340 0.001 0.000 0.260 472 Q C -2.768 173.204 176.000 -0.046 0.000 0.964 472 Q CA -2.103 53.663 55.803 -0.063 0.000 0.880 472 Q CB 1.560 30.270 28.738 -0.047 0.000 1.286 472 Q HN 0.224 nan 8.270 nan 0.000 0.445 473 P HA 0.236 nan 4.420 nan 0.000 0.286 473 P C -1.444 175.807 177.300 -0.081 0.000 1.261 473 P CA -0.777 62.287 63.100 -0.060 0.000 0.821 473 P CB 0.734 32.406 31.700 -0.046 0.000 1.013 474 K N 2.857 123.190 120.400 -0.111 0.000 2.416 474 K HA 0.145 4.466 4.320 0.001 0.000 0.283 474 K C 0.024 176.550 176.600 -0.122 0.000 1.037 474 K CA -0.247 55.963 56.287 -0.129 0.000 0.995 474 K CB 0.094 32.490 32.500 -0.174 0.000 0.938 474 K HN 0.295 nan 8.250 nan 0.000 0.475 475 I N 2.924 123.426 120.570 -0.113 0.000 2.970 475 I HA 0.072 4.243 4.170 0.001 0.000 0.310 475 I C 0.718 176.751 176.117 -0.140 0.000 1.010 475 I CA -0.269 60.962 61.300 -0.116 0.000 1.228 475 I CB 1.223 39.153 38.000 -0.116 0.000 1.433 475 I HN 0.767 nan 8.210 nan 0.000 0.573 476 Q N 2.857 122.577 119.800 -0.135 0.000 2.340 476 Q HA 0.254 4.594 4.340 0.001 0.000 0.249 476 Q C -2.221 173.655 176.000 -0.206 0.000 0.957 476 Q CA -1.279 54.449 55.803 -0.124 0.000 0.882 476 Q CB 0.966 29.661 28.738 -0.072 0.000 1.235 476 Q HN 0.288 nan 8.270 nan 0.000 0.439 477 P HA -0.075 nan 4.420 nan 0.000 0.271 477 P C -1.159 176.054 177.300 -0.144 0.000 1.233 477 P CA 0.262 63.255 63.100 -0.178 0.000 0.795 477 P CB 0.363 32.002 31.700 -0.102 0.000 0.936 478 F N 1.506 121.626 119.950 0.284 0.000 2.420 478 F HA 0.226 4.754 4.527 0.001 0.000 0.352 478 F C -1.383 174.729 175.800 0.521 0.000 1.108 478 F CA -2.333 55.912 58.000 0.408 0.000 1.162 478 F CB -0.151 39.157 39.000 0.513 0.000 1.118 478 F HN 0.183 nan 8.300 nan 0.000 0.510 479 P HA -0.171 nan 4.420 nan 0.000 0.253 479 P C -0.677 176.970 177.300 0.578 0.000 1.159 479 P CA 0.631 63.974 63.100 0.404 0.000 0.779 479 P CB -0.105 31.719 31.700 0.207 0.000 0.745 480 F N 2.672 122.771 119.950 0.248 0.000 2.410 480 F HA 0.228 4.755 4.527 0.001 0.000 0.349 480 F C 1.571 177.477 175.800 0.175 0.000 1.117 480 F CA -0.393 57.750 58.000 0.239 0.000 1.104 480 F CB 0.933 40.032 39.000 0.165 0.000 1.122 480 F HN 0.276 nan 8.300 nan 0.000 0.483 481 Q N 1.685 121.616 119.800 0.218 0.000 2.474 481 Q HA -0.061 4.279 4.340 0.001 0.000 0.256 481 Q C 0.819 176.919 176.000 0.167 0.000 1.048 481 Q CA 0.139 56.037 55.803 0.160 0.000 0.922 481 Q CB 0.641 29.443 28.738 0.107 0.000 1.288 481 Q HN 0.593 nan 8.270 nan 0.000 0.484 482 E N 0.001 120.290 120.200 0.149 0.000 2.318 482 E HA -0.015 4.336 4.350 0.001 0.000 0.193 482 E C -0.356 176.234 176.600 -0.017 0.000 0.998 482 E CA 0.833 57.299 56.400 0.110 0.000 0.859 482 E CB 0.471 30.263 29.700 0.153 0.000 0.812 482 E HN 0.379 nan 8.360 nan 0.000 0.492 483 H N -1.687 117.422 119.070 0.065 0.000 2.980 483 H HA 0.223 4.780 4.556 0.001 0.000 0.367 483 H C -0.852 174.497 175.328 0.035 0.000 1.206 483 H CA -0.571 55.504 56.048 0.045 0.000 1.126 483 H CB 1.740 31.521 29.762 0.032 0.000 1.838 483 H HN -0.054 nan 8.280 nan 0.000 0.552 484 T N 0.377 115.017 114.554 0.143 0.000 2.904 484 T HA -0.016 4.335 4.350 0.001 0.000 0.290 484 T C 0.914 175.656 174.700 0.069 0.000 1.018 484 T CA -0.486 61.659 62.100 0.075 0.000 1.075 484 T CB 0.300 69.194 68.868 0.044 0.000 0.986 484 T HN 0.681 nan 8.240 nan 0.000 0.523 485 D N 2.963 123.385 120.400 0.036 0.000 2.340 485 D HA 0.034 4.675 4.640 0.001 0.000 0.220 485 D C 0.351 176.654 176.300 0.005 0.000 1.039 485 D CA 0.017 54.029 54.000 0.021 0.000 0.866 485 D CB 0.012 40.820 40.800 0.013 0.000 0.913 485 D HN 0.255 nan 8.370 nan 0.000 0.523 486 L N 1.372 122.596 121.223 0.003 0.000 2.511 486 L HA 0.354 4.694 4.340 0.001 0.000 0.252 486 L C -2.602 174.265 176.870 -0.004 0.000 1.542 486 L CA -1.774 53.059 54.840 -0.013 0.000 0.822 486 L CB 1.419 43.458 42.059 -0.032 0.000 1.050 486 L HN -0.231 nan 8.230 nan 0.000 0.516 487 P HA 0.091 nan 4.420 nan 0.000 0.286 487 P C 1.130 178.439 177.300 0.016 0.000 1.293 487 P CA -0.184 62.935 63.100 0.031 0.000 0.770 487 P CB 1.168 32.896 31.700 0.045 0.000 1.206 488 V N -0.999 118.937 119.914 0.035 0.000 3.078 488 V HA -0.053 4.068 4.120 0.001 0.000 0.265 488 V C 1.875 177.971 176.094 0.002 0.000 1.122 488 V CA 2.298 64.611 62.300 0.021 0.000 1.141 488 V CB -1.523 30.340 31.823 0.067 0.000 0.735 488 V HN 1.055 nan 8.190 nan 0.000 0.498 489 G N 0.347 109.150 108.800 0.006 0.000 3.127 489 G HA2 -0.223 3.737 3.960 0.001 0.000 0.280 489 G HA3 -0.223 3.737 3.960 0.001 0.000 0.280 489 G C -1.330 173.574 174.900 0.007 0.000 1.491 489 G CA 0.285 45.384 45.100 -0.002 0.000 1.029 489 G HN 0.513 nan 8.290 nan 0.000 0.582 490 P HA 0.299 nan 4.420 nan 0.000 0.282 490 P C 1.589 178.901 177.300 0.021 0.000 1.124 490 P CA 2.620 65.730 63.100 0.017 0.000 0.681 490 P CB -0.741 30.966 31.700 0.011 0.000 1.773 491 T N -1.765 112.801 114.554 0.019 0.000 2.595 491 T HA 0.073 4.424 4.350 0.001 0.000 0.264 491 T C 1.456 176.160 174.700 0.006 0.000 1.058 491 T CA 1.432 63.545 62.100 0.022 0.000 1.166 491 T CB -1.594 67.286 68.868 0.020 0.000 0.863 491 T HN 0.491 nan 8.240 nan 0.000 0.415 492 G N -0.751 108.048 108.800 -0.002 0.000 2.525 492 G HA2 0.530 4.491 3.960 0.001 0.000 0.287 492 G HA3 0.530 4.491 3.960 0.001 0.000 0.287 492 G C 0.645 175.528 174.900 -0.029 0.000 1.350 492 G CA -0.294 44.797 45.100 -0.016 0.000 1.039 492 G HN 0.724 nan 8.290 nan 0.000 0.513 493 G N -2.508 106.269 108.800 -0.039 0.000 3.855 493 G HA2 0.128 4.089 3.960 0.001 0.000 0.212 493 G HA3 0.128 4.089 3.960 0.001 0.000 0.212 493 G C 0.856 175.727 174.900 -0.047 0.000 1.544 493 G CA 0.584 45.655 45.100 -0.049 0.000 0.913 493 G HN 0.407 nan 8.290 nan 0.000 0.691 494 M N -0.147 119.423 119.600 -0.050 0.000 2.069 494 M HA 0.281 4.761 4.480 0.001 0.000 0.208 494 M C 2.198 178.480 176.300 -0.030 0.000 1.459 494 M CA 1.413 56.688 55.300 -0.041 0.000 0.992 494 M CB 0.206 32.775 32.600 -0.052 0.000 1.566 494 M HN 0.253 nan 8.290 nan 0.000 0.571 495 G N -0.247 108.535 108.800 -0.030 0.000 2.595 495 G HA2 0.415 4.376 3.960 0.001 0.000 0.213 495 G HA3 0.415 4.376 3.960 0.001 0.000 0.213 495 G C 0.906 175.801 174.900 -0.008 0.000 1.141 495 G CA 1.014 46.104 45.100 -0.016 0.000 0.806 495 G HN 0.658 nan 8.290 nan 0.000 0.530 496 G N -0.551 108.242 108.800 -0.012 0.000 2.460 496 G HA2 0.027 3.988 3.960 0.001 0.000 0.208 496 G HA3 0.027 3.988 3.960 0.001 0.000 0.208 496 G C -0.706 174.195 174.900 0.002 0.000 1.185 496 G CA 0.180 45.278 45.100 -0.004 0.000 1.262 496 G HN 0.725 nan 8.290 nan 0.000 0.522 497 Q N 0.975 120.784 119.800 0.016 0.000 2.309 497 Q HA 0.763 5.104 4.340 0.001 0.000 0.270 497 Q C -0.343 175.686 176.000 0.049 0.000 1.023 497 Q CA 0.481 56.303 55.803 0.031 0.000 0.758 497 Q CB 1.489 30.243 28.738 0.027 0.000 1.247 497 Q HN 1.536 nan 8.270 nan 0.000 0.455 498 A N 3.964 126.834 122.820 0.085 0.000 2.301 498 A HA 0.741 5.062 4.320 0.001 0.000 0.312 498 A C -0.911 176.746 177.584 0.121 0.000 1.182 498 A CA -0.493 51.617 52.037 0.121 0.000 0.826 498 A CB 0.804 19.935 19.000 0.217 0.000 1.134 498 A HN 0.780 nan 8.150 nan 0.000 0.501 499 E N 0.643 120.885 120.200 0.070 0.000 2.255 499 E HA 0.606 4.957 4.350 0.001 0.000 0.256 499 E C 0.033 176.632 176.600 -0.001 0.000 0.887 499 E CA 0.095 56.517 56.400 0.035 0.000 0.782 499 E CB 2.048 31.764 29.700 0.026 0.000 1.214 499 E HN 1.165 nan 8.360 nan 0.000 0.417 500 G N 2.468 111.243 108.800 -0.043 0.000 2.321 500 G HA2 0.270 4.231 3.960 0.001 0.000 0.296 500 G HA3 0.270 4.231 3.960 0.001 0.000 0.296 500 G C -2.783 172.046 174.900 -0.119 0.000 1.287 500 G CA -0.947 44.112 45.100 -0.068 0.000 0.846 500 G HN 0.342 nan 8.290 nan 0.000 0.508 501 P HA 0.057 nan 4.420 nan 0.000 0.263 501 P C 0.917 178.166 177.300 -0.086 0.000 1.162 501 P CA 0.690 63.742 63.100 -0.080 0.000 0.758 501 P CB 0.510 32.170 31.700 -0.066 0.000 0.773 502 T N 2.218 116.737 114.554 -0.060 0.000 2.793 502 T HA -0.035 4.315 4.350 0.001 0.000 0.228 502 T C 1.444 176.116 174.700 -0.046 0.000 1.086 502 T CA 1.633 63.702 62.100 -0.052 0.000 1.743 502 T CB -0.724 68.121 68.868 -0.038 0.000 1.187 502 T HN 0.800 nan 8.240 nan 0.000 0.404 503 C N -0.974 118.305 119.300 -0.034 0.000 4.698 503 C HA 0.601 5.062 4.460 0.001 0.000 0.490 503 C C 1.197 176.172 174.990 -0.024 0.000 0.998 503 C CA 0.496 59.497 59.018 -0.029 0.000 2.467 503 C CB -0.248 27.477 27.740 -0.026 0.000 3.193 503 C HN 1.356 nan 8.230 nan 0.000 0.390 504 G N 0.000 108.787 108.800 -0.022 0.000 5.446 504 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 504 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 504 G CA 0.000 45.088 45.100 -0.020 0.000 0.502 504 G HN 0.000 nan 8.290 nan 0.000 0.925