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 2g5i_1_B DATA FIRST_RESID 2 DATA SEQUENCE HFETVIGLEV HVELKTDSKM FSPSPAHFGA EPNSNTNVID LAYPGVLPVV DATA SEQUENCE NKRAVDWAMR AAMALNMEIA TESKFDRKNY FYPDNPKAYQ ISQFDQPIGE DATA SEQUENCE NGYIDIEVDG ETKRIGITRL HMEEDAGKST HKGEYSLVDL NRQGTPLIEI DATA SEQUENCE VSEPDIRSPK EAYAYLEKLR SIIQYTGVSD VKMEEGSLRC DANISLRPYG DATA SEQUENCE QEKFGTKAEL KNLNSFNYVR KGLEYEEKRQ EEELLNGGEI GQETRRFDES DATA SEQUENCE TGKTILMRVK EGSDDYRYFP EPDIVPLYID DAWKERVRQT IPELPDERKA DATA SEQUENCE KYVNELGLPA YDAHVLTLTK EMSDFFESTI EHGADVKLTS NWLMGGVNEY DATA SEQUENCE LNKNQVELLD TKLTPENLAG MIKLIEDGTM SSKIAKKVFP ELAAKGGNAK DATA SEQUENCE QIMEDNGLVQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 H HA 0.000 nan 4.556 nan 0.000 0.296 2 H C 0.000 175.418 175.328 0.150 0.000 0.993 2 H CA 0.000 55.955 56.048 -0.155 0.000 1.023 2 H CB 0.000 29.471 29.762 -0.486 0.000 1.292 3 F N 3.141 123.109 119.950 0.030 0.000 2.626 3 F HA 0.281 4.820 4.527 0.021 0.000 0.354 3 F C 1.160 177.016 175.800 0.093 0.000 1.168 3 F CA -0.213 57.853 58.000 0.110 0.000 1.368 3 F CB -0.329 38.761 39.000 0.150 0.000 1.092 3 F HN 0.407 nan 8.300 nan 0.000 0.612 4 E N 0.177 120.348 120.200 -0.049 0.000 2.485 4 E HA 0.095 4.456 4.350 0.020 0.000 0.266 4 E C -0.161 176.382 176.600 -0.094 0.000 1.090 4 E CA 0.616 56.768 56.400 -0.412 0.000 0.987 4 E CB 0.328 29.649 29.700 -0.631 0.000 0.974 4 E HN 0.713 nan 8.360 nan 0.000 0.455 5 T N 0.681 115.177 114.554 -0.097 0.000 3.514 5 T HA 0.290 4.652 4.350 0.020 0.000 0.259 5 T C -0.602 174.028 174.700 -0.116 0.000 1.466 5 T CA -0.743 61.313 62.100 -0.072 0.000 1.562 5 T CB -0.199 68.657 68.868 -0.020 0.000 0.924 5 T HN 0.226 nan 8.240 nan 0.000 0.678 6 V N 3.728 123.545 119.914 -0.162 0.000 2.475 6 V HA 0.265 4.397 4.120 0.020 0.000 0.292 6 V C 0.528 176.454 176.094 -0.280 0.000 1.003 6 V CA 0.022 62.162 62.300 -0.267 0.000 1.120 6 V CB -0.966 30.562 31.823 -0.492 0.000 0.937 6 V HN 0.867 nan 8.190 nan 0.000 0.476 7 I N 2.282 122.708 120.570 -0.240 0.000 2.775 7 I HA 0.944 5.126 4.170 0.020 0.000 0.295 7 I C -0.163 175.830 176.117 -0.207 0.000 1.287 7 I CA -0.541 60.638 61.300 -0.202 0.000 1.029 7 I CB 2.346 40.270 38.000 -0.127 0.000 1.282 7 I HN 0.596 nan 8.210 nan 0.000 0.426 8 G N 5.506 114.186 108.800 -0.201 0.000 2.569 8 G HA2 0.755 4.727 3.960 0.020 0.000 0.300 8 G HA3 0.755 4.727 3.960 0.020 0.000 0.300 8 G C -1.339 173.450 174.900 -0.185 0.000 1.269 8 G CA -1.034 43.931 45.100 -0.226 0.000 0.959 8 G HN 0.658 nan 8.290 nan 0.000 0.478 9 L N -0.043 121.032 121.223 -0.246 0.000 2.334 9 L HA 0.572 4.924 4.340 0.020 0.000 0.273 9 L C -0.127 176.721 176.870 -0.037 0.000 1.013 9 L CA -0.764 54.006 54.840 -0.117 0.000 0.816 9 L CB 2.450 44.458 42.059 -0.086 0.000 1.278 9 L HN 0.483 nan 8.230 nan 0.000 0.431 10 E N 1.814 122.038 120.200 0.040 0.000 2.149 10 E HA 0.382 4.744 4.350 0.020 0.000 0.255 10 E C -1.546 175.135 176.600 0.135 0.000 0.888 10 E CA -0.437 56.011 56.400 0.079 0.000 0.742 10 E CB 1.672 31.438 29.700 0.111 0.000 1.164 10 E HN 0.304 nan 8.360 nan 0.000 0.422 11 V N 4.780 124.758 119.914 0.106 0.000 2.311 11 V HA 0.211 4.342 4.120 0.020 0.000 0.275 11 V C -0.510 175.617 176.094 0.056 0.000 1.022 11 V CA -0.786 61.589 62.300 0.126 0.000 0.830 11 V CB 0.646 32.549 31.823 0.133 0.000 1.012 11 V HN 0.649 nan 8.190 nan 0.000 0.452 12 H N 2.562 121.653 119.070 0.034 0.000 2.610 12 H HA 0.583 5.150 4.556 0.018 0.000 0.336 12 H C -0.245 175.098 175.328 0.025 0.000 1.087 12 H CA -0.051 56.008 56.048 0.019 0.000 1.405 12 H CB 1.531 31.313 29.762 0.032 0.000 1.460 12 H HN 0.425 nan 8.280 nan 0.000 0.538 13 V N 3.655 123.624 119.914 0.092 0.000 2.487 13 V HA 0.165 4.296 4.120 0.020 0.000 0.298 13 V C 0.027 176.175 176.094 0.090 0.000 1.028 13 V CA -0.904 61.440 62.300 0.074 0.000 0.860 13 V CB 1.725 33.565 31.823 0.029 0.000 0.991 13 V HN 0.793 nan 8.190 nan 0.000 0.427 14 E N 3.534 123.791 120.200 0.094 0.000 2.259 14 E HA 0.346 4.708 4.350 0.020 0.000 0.281 14 E C -1.092 175.582 176.600 0.122 0.000 1.037 14 E CA -0.680 55.782 56.400 0.105 0.000 0.854 14 E CB 1.295 31.051 29.700 0.093 0.000 1.051 14 E HN 0.306 nan 8.360 nan 0.000 0.409 15 L N 3.825 125.143 121.223 0.157 0.000 2.326 15 L HA 0.113 4.465 4.340 0.020 0.000 0.278 15 L C 0.722 177.753 176.870 0.267 0.000 1.092 15 L CA 0.081 55.083 54.840 0.271 0.000 0.810 15 L CB 0.703 42.941 42.059 0.299 0.000 1.153 15 L HN 0.430 nan 8.230 nan 0.000 0.439 16 K N 0.807 121.461 120.400 0.423 0.000 2.765 16 K HA 0.259 4.591 4.320 0.020 0.000 0.246 16 K C -0.013 176.729 176.600 0.236 0.000 1.254 16 K CA -0.435 56.024 56.287 0.286 0.000 1.219 16 K CB -0.500 32.126 32.500 0.210 0.000 1.747 16 K HN 0.647 nan 8.250 nan 0.000 0.372 17 T N -1.901 112.661 114.554 0.013 0.000 2.770 17 T HA 0.114 4.476 4.350 0.020 0.000 0.281 17 T C 0.399 175.060 174.700 -0.066 0.000 0.981 17 T CA -0.367 61.583 62.100 -0.250 0.000 0.955 17 T CB 0.899 69.573 68.868 -0.322 0.000 1.060 17 T HN 0.139 nan 8.240 nan 0.000 0.531 18 D N 0.356 120.715 120.400 -0.069 0.000 2.162 18 D HA 0.113 4.765 4.640 0.020 0.000 0.205 18 D C 1.003 177.375 176.300 0.121 0.000 0.964 18 D CA 0.873 54.926 54.000 0.089 0.000 0.847 18 D CB -0.035 40.790 40.800 0.043 0.000 0.988 18 D HN 0.673 nan 8.370 nan 0.000 0.480 19 S N -0.576 115.127 115.700 0.005 0.000 2.621 19 S HA 0.505 4.987 4.470 0.020 0.000 0.302 19 S C 0.045 174.629 174.600 -0.026 0.000 1.093 19 S CA -1.070 57.124 58.200 -0.009 0.000 1.017 19 S CB 2.442 65.622 63.200 -0.032 0.000 1.077 19 S HN -0.148 nan 8.310 nan 0.000 0.517 20 K N 0.051 120.442 120.400 -0.015 0.000 2.185 20 K HA 0.068 4.400 4.320 0.020 0.000 0.245 20 K C 1.215 177.757 176.600 -0.098 0.000 1.035 20 K CA -0.336 55.939 56.287 -0.020 0.000 0.847 20 K CB -0.034 32.473 32.500 0.012 0.000 1.056 20 K HN 0.597 nan 8.250 nan 0.000 0.518 21 M N 0.196 119.699 119.600 -0.162 0.000 2.108 21 M HA -0.099 4.393 4.480 0.020 0.000 0.261 21 M C 0.654 176.522 176.300 -0.719 0.000 1.066 21 M CA 1.977 57.000 55.300 -0.462 0.000 1.107 21 M CB 0.058 32.304 32.600 -0.589 0.000 1.356 21 M HN 0.578 nan 8.290 nan 0.000 0.406 22 F N -1.802 118.138 119.950 -0.017 0.000 2.798 22 F HA 0.392 4.934 4.527 0.025 0.000 0.328 22 F C 0.735 176.505 175.800 -0.049 0.000 1.098 22 F CA -0.191 57.776 58.000 -0.055 0.000 1.172 22 F CB -0.032 38.922 39.000 -0.076 0.000 1.072 22 F HN 0.081 nan 8.300 nan 0.000 0.555 23 S N 1.664 117.414 115.700 0.083 0.000 2.566 23 S HA 0.496 4.978 4.470 0.020 0.000 0.298 23 S C -2.331 172.269 174.600 -0.000 0.000 1.083 23 S CA -1.545 56.679 58.200 0.040 0.000 0.978 23 S CB 2.003 65.224 63.200 0.035 0.000 1.073 23 S HN -0.096 nan 8.310 nan 0.000 0.491 24 P HA 0.198 nan 4.420 nan 0.000 0.255 24 P C -0.073 177.212 177.300 -0.025 0.000 1.357 24 P CA -0.155 62.933 63.100 -0.020 0.000 0.839 24 P CB -0.158 31.531 31.700 -0.019 0.000 1.356 25 S N 1.778 117.464 115.700 -0.024 0.000 2.593 25 S HA 0.309 4.791 4.470 0.020 0.000 0.269 25 S C -2.228 172.348 174.600 -0.039 0.000 1.334 25 S CA -0.833 57.347 58.200 -0.033 0.000 1.015 25 S CB -0.217 62.967 63.200 -0.026 0.000 0.912 25 S HN 0.094 nan 8.310 nan 0.000 0.541 26 P HA 0.196 nan 4.420 nan 0.000 0.271 26 P C -0.447 176.802 177.300 -0.084 0.000 1.218 26 P CA -0.083 62.909 63.100 -0.179 0.000 0.780 26 P CB 0.562 32.062 31.700 -0.335 0.000 0.901 27 A N 2.316 125.132 122.820 -0.007 0.000 2.220 27 A HA 0.043 4.375 4.320 0.020 0.000 0.211 27 A C 0.340 178.033 177.584 0.181 0.000 1.176 27 A CA 0.595 52.725 52.037 0.155 0.000 0.834 27 A CB -0.591 18.519 19.000 0.184 0.000 0.868 27 A HN 0.637 nan 8.150 nan 0.000 0.488 28 H N -0.515 118.552 119.070 -0.004 0.000 2.587 28 H HA 0.580 5.148 4.556 0.019 0.000 0.325 28 H C -1.166 174.122 175.328 -0.067 0.000 1.012 28 H CA -1.723 54.238 56.048 -0.144 0.000 1.213 28 H CB -0.106 29.595 29.762 -0.103 0.000 1.431 28 H HN 0.199 nan 8.280 nan 0.000 0.492 29 F N 0.501 120.457 119.950 0.009 0.000 2.561 29 F HA 0.746 5.285 4.527 0.020 0.000 0.321 29 F C 0.566 176.366 175.800 0.001 0.000 1.065 29 F CA -1.318 56.663 58.000 -0.031 0.000 0.934 29 F CB 0.793 39.771 39.000 -0.037 0.000 1.215 29 F HN 0.626 nan 8.300 nan 0.000 0.471 30 G N 0.093 109.035 108.800 0.236 0.000 2.611 30 G HA2 0.403 4.375 3.960 0.020 0.000 0.273 30 G HA3 0.403 4.375 3.960 0.020 0.000 0.273 30 G C 0.643 175.677 174.900 0.223 0.000 1.305 30 G CA -0.430 44.764 45.100 0.156 0.000 1.010 30 G HN 1.119 nan 8.290 nan 0.000 0.509 31 A N -1.071 121.828 122.820 0.132 0.000 1.929 31 A HA 0.105 4.436 4.320 0.020 0.000 0.216 31 A C 1.380 179.014 177.584 0.082 0.000 1.176 31 A CA 1.112 53.220 52.037 0.119 0.000 0.628 31 A CB -0.546 18.498 19.000 0.073 0.000 0.816 31 A HN 0.696 nan 8.150 nan 0.000 0.444 32 E N 1.832 122.065 120.200 0.056 0.000 2.729 32 E HA 0.014 4.376 4.350 0.020 0.000 0.246 32 E C -2.170 174.427 176.600 -0.005 0.000 0.984 32 E CA -1.455 54.957 56.400 0.021 0.000 0.951 32 E CB 0.473 30.181 29.700 0.015 0.000 0.914 32 E HN 0.304 nan 8.360 nan 0.000 0.509 33 P HA -0.090 nan 4.420 nan 0.000 0.271 33 P C -0.736 176.514 177.300 -0.083 0.000 1.216 33 P CA 0.130 63.188 63.100 -0.071 0.000 0.776 33 P CB 0.448 32.114 31.700 -0.057 0.000 0.881 34 N N 0.437 119.062 118.700 -0.125 0.000 2.705 34 N HA -0.176 4.576 4.740 0.020 0.000 0.255 34 N C 0.329 175.788 175.510 -0.086 0.000 1.008 34 N CA 0.934 53.917 53.050 -0.112 0.000 0.742 34 N CB -0.918 37.518 38.487 -0.086 0.000 0.906 34 N HN 0.608 nan 8.380 nan 0.000 0.541 35 S N -1.657 113.992 115.700 -0.084 0.000 2.733 35 S HA 0.074 4.556 4.470 0.020 0.000 0.247 35 S C 0.300 174.870 174.600 -0.050 0.000 1.043 35 S CA -0.470 57.698 58.200 -0.054 0.000 1.066 35 S CB 0.550 63.733 63.200 -0.028 0.000 1.045 35 S HN 0.391 nan 8.310 nan 0.000 0.586 36 N N 2.147 120.802 118.700 -0.074 0.000 2.644 36 N HA 0.196 4.947 4.740 0.020 0.000 0.313 36 N C -0.433 175.030 175.510 -0.078 0.000 1.863 36 N CA 0.278 53.296 53.050 -0.053 0.000 0.918 36 N CB 1.128 39.625 38.487 0.016 0.000 1.320 36 N HN 0.622 nan 8.380 nan 0.000 0.490 37 T N -1.529 112.976 114.554 -0.082 0.000 2.676 37 T HA 0.660 5.021 4.350 0.020 0.000 0.269 37 T C -0.425 174.226 174.700 -0.082 0.000 0.952 37 T CA -0.626 61.425 62.100 -0.082 0.000 1.040 37 T CB 1.832 70.646 68.868 -0.090 0.000 1.352 37 T HN 0.381 nan 8.240 nan 0.000 0.554 38 N N -1.892 116.753 118.700 -0.092 0.000 3.501 38 N HA 0.166 4.918 4.740 0.020 0.000 0.235 38 N C 0.961 176.390 175.510 -0.136 0.000 1.442 38 N CA -0.306 52.676 53.050 -0.114 0.000 0.872 38 N CB 0.445 38.883 38.487 -0.082 0.000 1.414 38 N HN 1.018 nan 8.380 nan 0.000 0.485 39 V N -1.207 118.596 119.914 -0.184 0.000 2.363 39 V HA -0.266 3.866 4.120 0.020 0.000 0.254 39 V C 1.832 177.901 176.094 -0.041 0.000 1.074 39 V CA 2.038 64.222 62.300 -0.192 0.000 1.069 39 V CB -1.120 30.609 31.823 -0.156 0.000 0.659 39 V HN 0.646 nan 8.190 nan 0.000 0.455 40 I N 0.657 121.206 120.570 -0.036 0.000 2.163 40 I HA -0.143 4.039 4.170 0.020 0.000 0.240 40 I C 2.514 178.618 176.117 -0.022 0.000 1.081 40 I CA 2.032 63.323 61.300 -0.015 0.000 1.353 40 I CB -0.724 37.272 38.000 -0.007 0.000 1.054 40 I HN 0.307 nan 8.210 nan 0.000 0.407 41 D N 0.991 121.374 120.400 -0.028 0.000 2.219 41 D HA -0.095 4.556 4.640 0.020 0.000 0.205 41 D C 2.185 178.466 176.300 -0.033 0.000 0.970 41 D CA 1.108 55.087 54.000 -0.036 0.000 0.851 41 D CB -0.111 40.662 40.800 -0.044 0.000 0.943 41 D HN 0.355 nan 8.370 nan 0.000 0.488 42 L N 0.132 121.356 121.223 0.000 0.000 2.554 42 L HA 0.132 4.483 4.340 0.020 0.000 0.226 42 L C 1.006 177.947 176.870 0.119 0.000 1.137 42 L CA 0.193 55.080 54.840 0.078 0.000 0.863 42 L CB -0.252 41.896 42.059 0.148 0.000 0.985 42 L HN -0.043 nan 8.230 nan 0.000 0.451 43 A N -1.197 121.656 122.820 0.055 0.000 2.822 43 A HA -0.268 4.064 4.320 0.020 0.000 0.287 43 A C 0.206 177.836 177.584 0.077 0.000 1.479 43 A CA 0.414 52.457 52.037 0.009 0.000 0.779 43 A CB -2.653 16.301 19.000 -0.076 0.000 1.022 43 A HN 0.327 nan 8.150 nan 0.000 0.532 44 Y N 0.189 120.458 120.300 -0.050 0.000 2.511 44 Y HA 0.346 4.908 4.550 0.020 0.000 0.347 44 Y C -1.150 174.735 175.900 -0.025 0.000 1.257 44 Y CA -0.467 57.613 58.100 -0.034 0.000 1.469 44 Y CB 0.225 38.667 38.460 -0.030 0.000 1.353 44 Y HN 0.375 nan 8.280 nan 0.000 0.617 45 P HA 0.142 nan 4.420 nan 0.000 0.271 45 P C 0.131 177.463 177.300 0.053 0.000 1.220 45 P CA 0.621 63.731 63.100 0.018 0.000 0.768 45 P CB 0.762 32.446 31.700 -0.027 0.000 0.848 46 G N 1.652 110.478 108.800 0.043 0.000 2.182 46 G HA2 -0.124 3.848 3.960 0.020 0.000 0.248 46 G HA3 -0.124 3.848 3.960 0.020 0.000 0.248 46 G C -0.033 174.893 174.900 0.042 0.000 1.042 46 G CA 0.043 45.168 45.100 0.041 0.000 0.775 46 G HN 0.722 nan 8.290 nan 0.000 0.501 47 V N -2.618 117.323 119.914 0.044 0.000 3.193 47 V HA 0.955 5.086 4.120 0.020 0.000 0.320 47 V C 0.508 176.615 176.094 0.021 0.000 1.112 47 V CA -1.385 60.934 62.300 0.032 0.000 1.026 47 V CB 2.101 33.944 31.823 0.033 0.000 1.128 47 V HN 0.431 nan 8.190 nan 0.000 0.452 48 L N 1.012 122.241 121.223 0.011 0.000 2.327 48 L HA 0.689 5.040 4.340 0.020 0.000 0.258 48 L C -2.594 174.272 176.870 -0.007 0.000 1.024 48 L CA -1.792 53.049 54.840 0.003 0.000 0.825 48 L CB 2.821 44.883 42.059 0.005 0.000 1.386 48 L HN 0.557 nan 8.230 nan 0.000 0.417 49 P HA 0.317 nan 4.420 nan 0.000 0.292 49 P C -1.387 175.932 177.300 0.032 0.000 1.283 49 P CA -0.458 62.630 63.100 -0.019 0.000 0.835 49 P CB 1.921 33.494 31.700 -0.212 0.000 1.017 50 V N 0.621 120.598 119.914 0.105 0.000 2.398 50 V HA 0.237 4.369 4.120 0.020 0.000 0.282 50 V C 0.179 176.328 176.094 0.092 0.000 1.014 50 V CA -1.077 61.265 62.300 0.070 0.000 0.838 50 V CB 1.093 32.937 31.823 0.034 0.000 1.018 50 V HN 0.218 nan 8.190 nan 0.000 0.432 51 V N 4.090 124.050 119.914 0.078 0.000 2.557 51 V HA 0.000 4.132 4.120 0.020 0.000 0.301 51 V C 1.146 177.218 176.094 -0.037 0.000 1.026 51 V CA 0.393 62.693 62.300 0.000 0.000 1.137 51 V CB 0.359 32.175 31.823 -0.011 0.000 0.917 51 V HN 1.011 nan 8.190 nan 0.000 0.484 52 N N 4.497 123.125 118.700 -0.120 0.000 2.427 52 N HA -0.004 4.747 4.740 0.020 0.000 0.269 52 N C 1.030 176.510 175.510 -0.050 0.000 1.235 52 N CA 0.170 53.158 53.050 -0.104 0.000 0.934 52 N CB 0.687 39.076 38.487 -0.164 0.000 1.121 52 N HN 0.783 nan 8.380 nan 0.000 0.480 53 K N 4.393 124.776 120.400 -0.028 0.000 2.009 53 K HA -0.169 4.163 4.320 0.020 0.000 0.210 53 K C 1.947 178.552 176.600 0.007 0.000 1.049 53 K CA 1.142 57.443 56.287 0.024 0.000 0.929 53 K CB -0.034 32.466 32.500 0.001 0.000 0.714 53 K HN 0.533 nan 8.250 nan 0.000 0.440 54 R N 0.177 120.606 120.500 -0.119 0.000 2.091 54 R HA -0.174 4.178 4.340 0.020 0.000 0.238 54 R C 2.144 178.292 176.300 -0.253 0.000 1.136 54 R CA 1.448 57.394 56.100 -0.257 0.000 0.959 54 R CB -0.477 29.497 30.300 -0.543 0.000 0.856 54 R HN 0.347 nan 8.270 nan 0.000 0.437 55 A N 0.398 123.089 122.820 -0.214 0.000 1.870 55 A HA -0.246 4.086 4.320 0.020 0.000 0.219 55 A C 2.264 179.893 177.584 0.074 0.000 1.224 55 A CA 2.394 54.382 52.037 -0.082 0.000 0.650 55 A CB -1.104 17.846 19.000 -0.084 0.000 0.836 55 A HN 0.249 nan 8.150 nan 0.000 0.454 56 V N 0.425 120.407 119.914 0.112 0.000 2.282 56 V HA -0.314 3.818 4.120 0.020 0.000 0.249 56 V C 2.267 178.462 176.094 0.168 0.000 1.057 56 V CA 2.415 64.812 62.300 0.162 0.000 1.032 56 V CB -1.117 30.871 31.823 0.276 0.000 0.645 56 V HN 0.524 nan 8.190 nan 0.000 0.447 57 D N -0.861 119.688 120.400 0.249 0.000 2.108 57 D HA -0.213 4.439 4.640 0.020 0.000 0.190 57 D C 1.862 178.358 176.300 0.326 0.000 0.995 57 D CA 1.667 55.853 54.000 0.311 0.000 0.834 57 D CB -0.400 40.590 40.800 0.316 0.000 0.967 57 D HN 0.516 nan 8.370 nan 0.000 0.446 58 W N 1.428 122.758 121.300 0.049 0.000 2.321 58 W HA -0.116 4.556 4.660 0.019 0.000 0.306 58 W C 2.610 179.123 176.519 -0.010 0.000 1.217 58 W CA 1.155 58.510 57.345 0.017 0.000 1.257 58 W CB -1.259 28.210 29.460 0.016 0.000 1.145 58 W HN 0.022 nan 8.180 nan 0.000 0.509 59 A N 0.655 123.611 122.820 0.227 0.000 1.845 59 A HA -0.225 4.107 4.320 0.020 0.000 0.215 59 A C 2.065 179.656 177.584 0.012 0.000 1.195 59 A CA 2.605 54.694 52.037 0.087 0.000 0.616 59 A CB -1.168 17.864 19.000 0.053 0.000 0.832 59 A HN 0.363 nan 8.150 nan 0.000 0.443 60 M N -1.224 118.363 119.600 -0.021 0.000 2.446 60 M HA -0.041 4.451 4.480 0.020 0.000 0.263 60 M C 1.990 178.255 176.300 -0.059 0.000 1.066 60 M CA 2.132 57.378 55.300 -0.091 0.000 1.087 60 M CB -0.456 32.019 32.600 -0.208 0.000 1.406 60 M HN 0.366 nan 8.290 nan 0.000 0.459 61 R N 1.252 121.748 120.500 -0.006 0.000 2.073 61 R HA 0.003 4.354 4.340 0.020 0.000 0.229 61 R C 2.306 178.569 176.300 -0.061 0.000 1.120 61 R CA 1.567 57.654 56.100 -0.022 0.000 0.967 61 R CB -0.368 29.928 30.300 -0.007 0.000 0.862 61 R HN 0.472 nan 8.270 nan 0.000 0.436 62 A N 0.885 123.668 122.820 -0.062 0.000 1.877 62 A HA -0.065 4.267 4.320 0.020 0.000 0.216 62 A C 2.426 179.956 177.584 -0.091 0.000 1.186 62 A CA 1.608 53.594 52.037 -0.084 0.000 0.620 62 A CB -1.067 17.890 19.000 -0.071 0.000 0.822 62 A HN 0.532 nan 8.150 nan 0.000 0.443 63 A N -0.384 122.388 122.820 -0.080 0.000 1.927 63 A HA -0.237 4.095 4.320 0.020 0.000 0.220 63 A C 2.255 179.780 177.584 -0.099 0.000 1.185 63 A CA 2.143 54.128 52.037 -0.088 0.000 0.639 63 A CB -0.617 18.331 19.000 -0.087 0.000 0.820 63 A HN 0.564 nan 8.150 nan 0.000 0.451 64 M N -1.034 118.510 119.600 -0.094 0.000 2.419 64 M HA -0.017 4.475 4.480 0.020 0.000 0.264 64 M C 2.405 178.637 176.300 -0.114 0.000 1.082 64 M CA 0.949 56.192 55.300 -0.094 0.000 1.119 64 M CB -0.297 32.259 32.600 -0.074 0.000 1.398 64 M HN 0.493 nan 8.290 nan 0.000 0.453 65 A N 0.410 123.159 122.820 -0.118 0.000 1.930 65 A HA -0.047 4.285 4.320 0.020 0.000 0.217 65 A C 1.653 179.121 177.584 -0.193 0.000 1.175 65 A CA 1.169 53.123 52.037 -0.139 0.000 0.627 65 A CB -0.425 18.498 19.000 -0.128 0.000 0.815 65 A HN 0.384 nan 8.150 nan 0.000 0.443 66 L N 0.563 121.670 121.223 -0.194 0.000 2.645 66 L HA 0.128 4.480 4.340 0.020 0.000 0.234 66 L C 0.144 176.816 176.870 -0.330 0.000 1.165 66 L CA 0.190 54.882 54.840 -0.247 0.000 0.944 66 L CB -1.005 40.949 42.059 -0.175 0.000 1.149 66 L HN 0.438 nan 8.230 nan 0.000 0.446 67 N N -1.784 116.739 118.700 -0.295 0.000 2.741 67 N HA -0.228 4.524 4.740 0.020 0.000 0.250 67 N C 0.199 175.626 175.510 -0.138 0.000 1.115 67 N CA 0.755 53.636 53.050 -0.283 0.000 0.724 67 N CB -1.440 36.656 38.487 -0.651 0.000 1.090 67 N HN 0.421 nan 8.380 nan 0.000 0.558 68 M N 0.573 120.108 119.600 -0.107 0.000 2.163 68 M HA 0.119 4.611 4.480 0.020 0.000 0.305 68 M C 0.950 177.223 176.300 -0.044 0.000 1.166 68 M CA 0.254 55.521 55.300 -0.054 0.000 1.132 68 M CB 0.642 33.205 32.600 -0.061 0.000 1.413 68 M HN 0.025 nan 8.290 nan 0.000 0.478 69 E N 2.103 122.283 120.200 -0.033 0.000 2.046 69 E HA 0.214 4.576 4.350 0.020 0.000 0.279 69 E C -1.034 175.527 176.600 -0.065 0.000 0.989 69 E CA -0.688 55.688 56.400 -0.039 0.000 0.798 69 E CB 0.561 30.246 29.700 -0.025 0.000 1.086 69 E HN 0.359 nan 8.360 nan 0.000 0.399 70 I N 3.516 124.035 120.570 -0.085 0.000 2.668 70 I HA 0.030 4.212 4.170 0.020 0.000 0.285 70 I C 1.019 177.059 176.117 -0.128 0.000 1.168 70 I CA 0.029 61.256 61.300 -0.121 0.000 1.424 70 I CB -0.479 37.431 38.000 -0.151 0.000 1.377 70 I HN 0.518 nan 8.210 nan 0.000 0.560 71 A N 5.668 128.406 122.820 -0.137 0.000 2.448 71 A HA 0.333 4.665 4.320 0.020 0.000 0.239 71 A C 1.227 178.710 177.584 -0.169 0.000 1.080 71 A CA 0.054 52.014 52.037 -0.128 0.000 0.779 71 A CB 0.153 19.082 19.000 -0.118 0.000 1.026 71 A HN 0.840 nan 8.150 nan 0.000 0.499 72 T N 0.345 114.813 114.554 -0.144 0.000 2.988 72 T HA 0.107 4.469 4.350 0.020 0.000 0.240 72 T C 0.644 175.238 174.700 -0.177 0.000 1.014 72 T CA 0.818 62.785 62.100 -0.222 0.000 1.155 72 T CB -0.093 68.678 68.868 -0.163 0.000 0.872 72 T HN 0.734 nan 8.240 nan 0.000 0.440 73 E N 1.473 121.655 120.200 -0.029 0.000 2.200 73 E HA 0.505 4.867 4.350 0.020 0.000 0.283 73 E C -1.127 175.482 176.600 0.014 0.000 1.015 73 E CA -0.264 56.180 56.400 0.073 0.000 0.819 73 E CB 0.944 30.713 29.700 0.115 0.000 1.081 73 E HN 0.119 nan 8.360 nan 0.000 0.397 74 S N 3.028 118.749 115.700 0.034 0.000 2.563 74 S HA 0.467 4.949 4.470 0.020 0.000 0.279 74 S C -1.839 172.785 174.600 0.041 0.000 1.155 74 S CA -0.967 57.225 58.200 -0.014 0.000 0.928 74 S CB 0.532 63.670 63.200 -0.102 0.000 1.107 74 S HN 0.429 nan 8.310 nan 0.000 0.462 75 K N 2.114 122.531 120.400 0.029 0.000 2.466 75 K HA 0.813 5.145 4.320 0.020 0.000 0.260 75 K C -1.411 175.227 176.600 0.063 0.000 1.011 75 K CA -0.687 55.691 56.287 0.152 0.000 0.871 75 K CB 0.041 32.654 32.500 0.189 0.000 1.404 75 K HN 0.270 nan 8.250 nan 0.000 0.450 76 F N 0.414 120.422 119.950 0.096 0.000 2.378 76 F HA 0.507 5.043 4.527 0.016 0.000 0.325 76 F C -0.184 175.636 175.800 0.033 0.000 1.097 76 F CA -0.132 57.923 58.000 0.092 0.000 1.079 76 F CB 1.108 40.179 39.000 0.117 0.000 1.240 76 F HN 0.572 nan 8.300 nan 0.000 0.519 77 D N -0.988 119.527 120.400 0.192 0.000 2.566 77 D HA 0.514 5.166 4.640 0.020 0.000 0.254 77 D C -1.114 175.165 176.300 -0.036 0.000 1.090 77 D CA -0.945 53.081 54.000 0.043 0.000 1.034 77 D CB 1.371 42.233 40.800 0.105 0.000 1.434 77 D HN 0.280 nan 8.370 nan 0.000 0.509 78 R N 0.734 121.056 120.500 -0.295 0.000 2.295 78 R HA 0.366 4.718 4.340 0.020 0.000 0.324 78 R C -0.500 175.698 176.300 -0.169 0.000 0.968 78 R CA -0.756 55.155 56.100 -0.316 0.000 0.837 78 R CB 1.539 31.298 30.300 -0.901 0.000 1.133 78 R HN 0.169 nan 8.270 nan 0.000 0.450 79 K N 3.367 123.741 120.400 -0.042 0.000 2.244 79 K HA 0.137 4.469 4.320 0.020 0.000 0.263 79 K C -0.539 176.013 176.600 -0.081 0.000 1.103 79 K CA -0.384 55.779 56.287 -0.206 0.000 0.966 79 K CB 0.321 32.765 32.500 -0.094 0.000 1.429 79 K HN 0.487 nan 8.250 nan 0.000 0.434 80 N N 3.521 122.174 118.700 -0.078 0.000 2.492 80 N HA 0.032 4.784 4.740 0.020 0.000 0.262 80 N C -0.893 174.731 175.510 0.189 0.000 1.202 80 N CA 0.564 53.620 53.050 0.010 0.000 0.926 80 N CB 0.616 39.113 38.487 0.017 0.000 1.078 80 N HN 0.512 nan 8.380 nan 0.000 0.454 81 Y N -0.401 119.829 120.300 -0.115 0.000 2.365 81 Y HA 0.291 4.847 4.550 0.010 0.000 0.327 81 Y C -2.230 173.633 175.900 -0.062 0.000 1.356 81 Y CA -1.222 56.879 58.100 0.001 0.000 1.331 81 Y CB -0.678 37.842 38.460 0.101 0.000 1.298 81 Y HN 0.210 nan 8.280 nan 0.000 0.456 82 F N 5.427 125.509 119.950 0.220 0.000 2.411 82 F HA 0.665 5.185 4.527 -0.011 0.000 0.350 82 F C -0.371 175.616 175.800 0.313 0.000 1.114 82 F CA -0.435 57.650 58.000 0.143 0.000 1.135 82 F CB 1.134 40.207 39.000 0.122 0.000 1.120 82 F HN 0.660 nan 8.300 nan 0.000 0.495 83 Y N 4.520 124.940 120.300 0.200 0.000 2.337 83 Y HA 0.168 4.728 4.550 0.017 0.000 0.318 83 Y C -2.226 173.721 175.900 0.077 0.000 1.258 83 Y CA -1.805 56.406 58.100 0.186 0.000 1.132 83 Y CB 1.862 40.505 38.460 0.306 0.000 1.307 83 Y HN 0.285 nan 8.280 nan 0.000 0.428 84 P HA -0.280 nan 4.420 nan 0.000 0.226 84 P C 0.355 177.499 177.300 -0.261 0.000 1.154 84 P CA 2.522 65.475 63.100 -0.245 0.000 0.918 84 P CB 0.095 31.607 31.700 -0.313 0.000 0.790 85 D N -2.882 117.287 120.400 -0.386 0.000 2.413 85 D HA 0.028 4.680 4.640 0.020 0.000 0.237 85 D C 0.046 176.280 176.300 -0.109 0.000 1.171 85 D CA -0.089 53.781 54.000 -0.217 0.000 0.839 85 D CB -1.267 39.409 40.800 -0.207 0.000 0.950 85 D HN 0.121 nan 8.370 nan 0.000 0.499 86 N N 0.426 119.050 118.700 -0.128 0.000 2.697 86 N HA 0.147 4.899 4.740 0.020 0.000 0.253 86 N C -1.884 173.485 175.510 -0.235 0.000 1.604 86 N CA -1.525 51.410 53.050 -0.192 0.000 0.772 86 N CB 1.039 39.329 38.487 -0.328 0.000 1.267 86 N HN -0.206 nan 8.380 nan 0.000 0.510 87 P HA -0.282 nan 4.420 nan 0.000 0.217 87 P C 0.648 177.820 177.300 -0.213 0.000 1.162 87 P CA 1.570 64.574 63.100 -0.159 0.000 0.901 87 P CB 0.369 31.996 31.700 -0.122 0.000 0.793 88 K N -0.943 119.255 120.400 -0.336 0.000 2.360 88 K HA 0.059 4.390 4.320 0.020 0.000 0.201 88 K C 1.345 177.711 176.600 -0.391 0.000 1.046 88 K CA 0.948 56.951 56.287 -0.472 0.000 0.945 88 K CB -0.375 31.518 32.500 -1.011 0.000 0.750 88 K HN 0.156 nan 8.250 nan 0.000 0.464 89 A N 0.385 122.957 122.820 -0.413 0.000 3.021 89 A HA -0.226 4.106 4.320 0.020 0.000 0.257 89 A C -0.323 177.001 177.584 -0.433 0.000 1.277 89 A CA 1.577 53.311 52.037 -0.505 0.000 1.012 89 A CB -2.598 16.036 19.000 -0.609 0.000 1.147 89 A HN 0.604 nan 8.150 nan 0.000 0.861 90 Y N -2.357 117.683 120.300 -0.433 0.000 2.287 90 Y HA 0.653 5.219 4.550 0.027 0.000 0.321 90 Y C -0.848 174.893 175.900 -0.266 0.000 1.173 90 Y CA -0.273 57.620 58.100 -0.345 0.000 1.124 90 Y CB 0.312 38.609 38.460 -0.272 0.000 1.201 90 Y HN 0.441 nan 8.280 nan 0.000 0.421 91 Q N 5.281 125.018 119.800 -0.106 0.000 2.286 91 Q HA 0.459 4.811 4.340 0.020 0.000 0.257 91 Q C -0.721 175.344 176.000 0.108 0.000 0.941 91 Q CA -0.550 55.243 55.803 -0.017 0.000 0.912 91 Q CB 0.942 29.756 28.738 0.126 0.000 1.192 91 Q HN 0.885 nan 8.270 nan 0.000 0.410 92 I N 2.889 123.504 120.570 0.074 0.000 2.496 92 I HA 0.124 4.306 4.170 0.020 0.000 0.285 92 I C 0.459 176.777 176.117 0.334 0.000 1.080 92 I CA 0.235 61.590 61.300 0.091 0.000 1.404 92 I CB 1.238 38.993 38.000 -0.408 0.000 1.403 92 I HN 0.673 nan 8.210 nan 0.000 0.539 93 S N 4.728 120.633 115.700 0.342 0.000 3.576 93 S HA 0.444 4.926 4.470 0.020 0.000 0.321 93 S C -1.603 173.121 174.600 0.207 0.000 1.174 93 S CA -0.567 57.849 58.200 0.359 0.000 1.102 93 S CB 1.659 65.053 63.200 0.324 0.000 1.467 93 S HN 0.652 nan 8.310 nan 0.000 0.701 94 Q N 0.692 120.496 119.800 0.007 0.000 2.269 94 Q HA 0.404 4.756 4.340 0.020 0.000 0.263 94 Q C -0.771 175.087 176.000 -0.237 0.000 0.983 94 Q CA -0.335 55.386 55.803 -0.137 0.000 0.777 94 Q CB 1.966 30.587 28.738 -0.194 0.000 1.273 94 Q HN 0.663 nan 8.270 nan 0.000 0.440 95 F N 3.022 122.782 119.950 -0.317 0.000 2.152 95 F HA -0.056 4.496 4.527 0.042 0.000 0.274 95 F C 1.430 177.050 175.800 -0.301 0.000 1.136 95 F CA 1.086 58.821 58.000 -0.443 0.000 1.117 95 F CB 0.560 39.313 39.000 -0.413 0.000 1.060 95 F HN 0.629 nan 8.300 nan 0.000 0.509 96 D N -0.535 119.712 120.400 -0.255 0.000 2.162 96 D HA -0.094 4.558 4.640 0.020 0.000 0.205 96 D C 0.310 176.491 176.300 -0.197 0.000 0.964 96 D CA 0.656 54.460 54.000 -0.326 0.000 0.847 96 D CB -0.573 40.111 40.800 -0.195 0.000 0.988 96 D HN 0.440 nan 8.370 nan 0.000 0.480 97 Q N 1.671 121.396 119.800 -0.124 0.000 2.771 97 Q HA 0.302 4.654 4.340 0.020 0.000 0.239 97 Q C -2.479 173.445 176.000 -0.127 0.000 1.231 97 Q CA -1.789 53.951 55.803 -0.105 0.000 1.056 97 Q CB 1.164 29.865 28.738 -0.062 0.000 1.284 97 Q HN 0.041 nan 8.270 nan 0.000 0.558 98 P HA -0.008 nan 4.420 nan 0.000 0.271 98 P C 0.551 177.791 177.300 -0.099 0.000 1.216 98 P CA 0.021 63.067 63.100 -0.090 0.000 0.776 98 P CB 0.775 32.445 31.700 -0.050 0.000 0.881 99 I N 1.938 122.442 120.570 -0.109 0.000 2.530 99 I HA -0.067 4.115 4.170 0.020 0.000 0.257 99 I C 0.766 176.813 176.117 -0.116 0.000 1.179 99 I CA 1.476 62.692 61.300 -0.141 0.000 1.440 99 I CB -0.306 37.605 38.000 -0.150 0.000 1.087 99 I HN 0.358 nan 8.210 nan 0.000 0.440 100 G N 0.048 108.801 108.800 -0.079 0.000 2.638 100 G HA2 0.634 4.605 3.960 0.020 0.000 0.302 100 G HA3 0.634 4.605 3.960 0.020 0.000 0.302 100 G C -1.421 173.449 174.900 -0.050 0.000 1.365 100 G CA -0.406 44.652 45.100 -0.070 0.000 0.987 100 G HN 0.211 nan 8.290 nan 0.000 0.495 101 E N 0.375 120.548 120.200 -0.046 0.000 2.390 101 E HA 0.272 4.634 4.350 0.020 0.000 0.277 101 E C -0.643 175.950 176.600 -0.011 0.000 0.939 101 E CA -1.034 55.347 56.400 -0.030 0.000 0.769 101 E CB 1.685 31.360 29.700 -0.041 0.000 1.251 101 E HN 0.426 nan 8.360 nan 0.000 0.450 102 N N 0.725 119.429 118.700 0.006 0.000 2.686 102 N HA -0.178 4.574 4.740 0.020 0.000 0.261 102 N C -0.345 175.211 175.510 0.076 0.000 1.001 102 N CA 1.221 54.292 53.050 0.035 0.000 0.764 102 N CB -0.949 37.554 38.487 0.026 0.000 0.898 102 N HN 0.642 nan 8.380 nan 0.000 0.544 103 G N -0.743 108.096 108.800 0.066 0.000 2.583 103 G HA2 0.712 4.684 3.960 0.020 0.000 0.280 103 G HA3 0.712 4.684 3.960 0.020 0.000 0.280 103 G C -0.468 174.545 174.900 0.187 0.000 1.376 103 G CA -0.315 44.822 45.100 0.061 0.000 1.043 103 G HN 0.430 nan 8.290 nan 0.000 0.538 104 Y N -2.321 117.976 120.300 -0.005 0.000 2.638 104 Y HA 0.589 5.151 4.550 0.019 0.000 0.334 104 Y C -1.170 174.721 175.900 -0.015 0.000 1.182 104 Y CA -1.834 56.272 58.100 0.010 0.000 1.102 104 Y CB 0.648 39.110 38.460 0.004 0.000 1.343 104 Y HN 0.794 nan 8.280 nan 0.000 0.463 105 I N 0.140 120.786 120.570 0.127 0.000 2.619 105 I HA 0.610 4.792 4.170 0.020 0.000 0.292 105 I C -1.499 174.693 176.117 0.125 0.000 1.100 105 I CA -0.984 60.317 61.300 0.003 0.000 1.043 105 I CB 2.501 40.417 38.000 -0.140 0.000 1.239 105 I HN 0.553 nan 8.210 nan 0.000 0.420 106 D N 6.780 127.239 120.400 0.099 0.000 2.225 106 D HA 0.592 5.244 4.640 0.020 0.000 0.248 106 D C -0.056 176.259 176.300 0.026 0.000 1.096 106 D CA 0.028 54.079 54.000 0.085 0.000 0.863 106 D CB 2.713 43.564 40.800 0.084 0.000 1.156 106 D HN 0.674 nan 8.370 nan 0.000 0.450 107 I N -2.067 118.524 120.570 0.035 0.000 3.264 107 I HA 0.657 4.839 4.170 0.020 0.000 0.309 107 I C -0.615 175.510 176.117 0.012 0.000 1.099 107 I CA -1.013 60.297 61.300 0.017 0.000 0.989 107 I CB 2.101 40.127 38.000 0.043 0.000 1.250 107 I HN -0.053 nan 8.210 nan 0.000 0.478 108 E N 1.783 121.986 120.200 0.004 0.000 2.220 108 E HA 0.515 4.877 4.350 0.020 0.000 0.256 108 E C -0.874 175.727 176.600 0.000 0.000 0.881 108 E CA -0.565 55.834 56.400 -0.002 0.000 0.766 108 E CB 1.852 31.543 29.700 -0.016 0.000 1.187 108 E HN 0.624 nan 8.360 nan 0.000 0.419 109 V N 0.036 119.953 119.914 0.005 0.000 3.267 109 V HA 0.488 4.620 4.120 0.020 0.000 0.317 109 V C -0.196 175.898 176.094 -0.000 0.000 1.131 109 V CA -1.177 61.126 62.300 0.005 0.000 1.031 109 V CB 1.244 33.075 31.823 0.013 0.000 1.159 109 V HN 0.685 nan 8.190 nan 0.000 0.454 110 D N 0.704 121.103 120.400 -0.000 0.000 3.465 110 D HA 0.175 4.827 4.640 0.020 0.000 0.252 110 D C 1.063 177.362 176.300 -0.002 0.000 1.399 110 D CA 1.430 55.428 54.000 -0.003 0.000 0.946 110 D CB -0.462 40.338 40.800 -0.000 0.000 1.183 110 D HN 1.609 nan 8.370 nan 0.000 0.622 111 G N 3.364 112.161 108.800 -0.006 0.000 5.005 111 G HA2 -0.257 3.714 3.960 0.020 0.000 0.251 111 G HA3 -0.257 3.714 3.960 0.020 0.000 0.251 111 G C -0.114 174.783 174.900 -0.005 0.000 1.536 111 G CA 0.111 45.208 45.100 -0.005 0.000 1.060 111 G HN 0.611 nan 8.290 nan 0.000 0.683 112 E N 0.456 120.655 120.200 -0.002 0.000 2.299 112 E HA 0.602 4.964 4.350 0.020 0.000 0.260 112 E C -0.596 176.004 176.600 0.000 0.000 0.944 112 E CA -0.326 56.073 56.400 -0.002 0.000 0.815 112 E CB 1.289 30.988 29.700 -0.001 0.000 1.252 112 E HN 0.315 nan 8.360 nan 0.000 0.418 113 T N 1.514 116.067 114.554 -0.001 0.000 2.853 113 T HA 0.097 4.458 4.350 0.020 0.000 0.298 113 T C -0.100 174.603 174.700 0.005 0.000 0.978 113 T CA 0.020 62.122 62.100 0.003 0.000 1.152 113 T CB 0.203 69.072 68.868 0.002 0.000 0.914 113 T HN 0.257 nan 8.240 nan 0.000 0.539 114 K N 2.604 123.011 120.400 0.013 0.000 2.221 114 K HA 0.403 4.735 4.320 0.020 0.000 0.258 114 K C -0.493 176.123 176.600 0.027 0.000 0.944 114 K CA -0.976 55.320 56.287 0.015 0.000 0.823 114 K CB 1.398 33.909 32.500 0.019 0.000 1.113 114 K HN 0.549 nan 8.250 nan 0.000 0.431 115 R N 6.029 126.539 120.500 0.017 0.000 2.215 115 R HA 0.293 4.645 4.340 0.020 0.000 0.337 115 R C -0.729 175.606 176.300 0.058 0.000 1.010 115 R CA -0.423 55.698 56.100 0.036 0.000 0.871 115 R CB 0.349 30.625 30.300 -0.040 0.000 1.134 115 R HN 0.604 nan 8.270 nan 0.000 0.477 116 I N 3.818 124.456 120.570 0.114 0.000 2.371 116 I HA 0.259 4.441 4.170 0.020 0.000 0.290 116 I C 0.906 177.129 176.117 0.176 0.000 1.028 116 I CA -0.335 61.038 61.300 0.121 0.000 1.345 116 I CB 1.675 39.777 38.000 0.169 0.000 1.407 116 I HN 0.697 nan 8.210 nan 0.000 0.501 117 G N 6.875 115.749 108.800 0.124 0.000 2.389 117 G HA2 0.689 4.660 3.960 0.020 0.000 0.317 117 G HA3 0.689 4.660 3.960 0.020 0.000 0.317 117 G C -0.589 174.386 174.900 0.125 0.000 1.137 117 G CA -0.579 44.614 45.100 0.155 0.000 0.870 117 G HN 0.527 nan 8.290 nan 0.000 0.496 118 I N 1.521 122.171 120.570 0.134 0.000 2.339 118 I HA 0.175 4.357 4.170 0.020 0.000 0.290 118 I C 1.709 177.859 176.117 0.055 0.000 0.994 118 I CA -0.596 60.765 61.300 0.100 0.000 1.191 118 I CB 2.019 40.086 38.000 0.113 0.000 1.343 118 I HN 0.670 nan 8.210 nan 0.000 0.458 119 T N 5.514 120.087 114.554 0.032 0.000 2.777 119 T HA -0.035 4.327 4.350 0.020 0.000 0.266 119 T C 0.788 175.493 174.700 0.007 0.000 1.040 119 T CA 0.977 63.086 62.100 0.016 0.000 1.141 119 T CB 0.182 69.053 68.868 0.006 0.000 0.868 119 T HN 0.774 nan 8.240 nan 0.000 0.444 120 R N -0.771 119.736 120.500 0.013 0.000 2.733 120 R HA 0.689 5.041 4.340 0.020 0.000 0.272 120 R C -2.058 174.247 176.300 0.008 0.000 1.029 120 R CA -1.177 54.931 56.100 0.013 0.000 0.888 120 R CB 1.113 31.431 30.300 0.029 0.000 1.251 120 R HN 0.282 nan 8.270 nan 0.000 0.464 121 L N 2.016 123.241 121.223 0.003 0.000 2.611 121 L HA 0.489 4.841 4.340 0.020 0.000 0.263 121 L C -1.274 175.583 176.870 -0.021 0.000 0.969 121 L CA -0.451 54.357 54.840 -0.053 0.000 0.894 121 L CB 1.532 43.553 42.059 -0.064 0.000 1.229 121 L HN 0.937 nan 8.230 nan 0.000 0.416 122 H N 3.213 122.239 119.070 -0.073 0.000 2.812 122 H HA 0.622 5.191 4.556 0.022 0.000 0.355 122 H C -1.461 173.844 175.328 -0.039 0.000 1.207 122 H CA -1.361 54.642 56.048 -0.075 0.000 1.217 122 H CB 1.755 31.474 29.762 -0.072 0.000 1.874 122 H HN 0.542 nan 8.280 nan 0.000 0.581 123 M N 1.391 121.061 119.600 0.117 0.000 2.238 123 M HA 0.349 4.840 4.480 0.020 0.000 0.350 123 M C -0.509 175.972 176.300 0.301 0.000 1.138 123 M CA -0.038 55.337 55.300 0.125 0.000 1.040 123 M CB 1.951 34.612 32.600 0.102 0.000 1.639 123 M HN 0.626 nan 8.290 nan 0.000 0.451 124 E N 1.202 121.562 120.200 0.267 0.000 2.437 124 E HA 0.498 4.860 4.350 0.020 0.000 0.253 124 E C -1.295 175.492 176.600 0.313 0.000 0.905 124 E CA -1.023 55.595 56.400 0.363 0.000 0.871 124 E CB 2.007 31.906 29.700 0.331 0.000 1.649 124 E HN 0.672 nan 8.360 nan 0.000 0.422 125 E N 0.928 121.322 120.200 0.323 0.000 2.260 125 E HA 0.310 4.672 4.350 0.020 0.000 0.266 125 E C -1.331 175.386 176.600 0.195 0.000 0.887 125 E CA -0.787 55.765 56.400 0.255 0.000 0.777 125 E CB 1.653 31.569 29.700 0.359 0.000 1.205 125 E HN 0.219 nan 8.360 nan 0.000 0.414 126 D N 1.986 122.480 120.400 0.157 0.000 2.364 126 D HA 0.224 4.876 4.640 0.020 0.000 0.236 126 D C -0.516 175.847 176.300 0.105 0.000 1.221 126 D CA 0.352 54.431 54.000 0.132 0.000 0.891 126 D CB 1.110 41.983 40.800 0.123 0.000 1.190 126 D HN 0.598 nan 8.370 nan 0.000 0.449 127 A N 0.828 123.704 122.820 0.092 0.000 2.282 127 A HA 0.726 5.058 4.320 0.020 0.000 0.324 127 A C 0.637 178.231 177.584 0.018 0.000 1.119 127 A CA -0.121 51.952 52.037 0.060 0.000 0.880 127 A CB 0.718 19.785 19.000 0.112 0.000 1.294 127 A HN 0.534 nan 8.150 nan 0.000 0.493 128 G N -0.664 108.116 108.800 -0.034 0.000 2.631 128 G HA2 0.436 4.407 3.960 0.020 0.000 0.271 128 G HA3 0.436 4.407 3.960 0.020 0.000 0.271 128 G C -0.152 174.706 174.900 -0.070 0.000 1.302 128 G CA -0.251 44.800 45.100 -0.082 0.000 1.002 128 G HN 0.776 nan 8.290 nan 0.000 0.519 129 K N -0.806 119.533 120.400 -0.101 0.000 2.323 129 K HA 0.455 4.787 4.320 0.020 0.000 0.259 129 K C -0.848 175.669 176.600 -0.137 0.000 0.947 129 K CA -0.422 55.815 56.287 -0.083 0.000 0.819 129 K CB 1.531 34.000 32.500 -0.052 0.000 1.109 129 K HN 0.343 nan 8.250 nan 0.000 0.429 130 S N 2.830 118.424 115.700 -0.178 0.000 2.488 130 S HA 0.186 4.668 4.470 0.020 0.000 0.310 130 S C -0.735 173.656 174.600 -0.348 0.000 1.093 130 S CA -0.492 57.548 58.200 -0.267 0.000 1.129 130 S CB 0.434 63.417 63.200 -0.361 0.000 0.989 130 S HN 0.600 nan 8.310 nan 0.000 0.479 131 T N 5.850 120.277 114.554 -0.213 0.000 2.799 131 T HA 0.113 4.475 4.350 0.020 0.000 0.296 131 T C -0.009 174.602 174.700 -0.149 0.000 0.947 131 T CA 0.052 62.063 62.100 -0.149 0.000 1.141 131 T CB -0.125 68.715 68.868 -0.046 0.000 0.891 131 T HN 0.531 nan 8.240 nan 0.000 0.533 132 H N 4.239 123.329 119.070 0.033 0.000 3.109 132 H HA 0.131 4.698 4.556 0.019 0.000 0.266 132 H C 0.443 175.779 175.328 0.013 0.000 1.334 132 H CA -0.132 55.935 56.048 0.031 0.000 1.456 132 H CB 0.301 30.078 29.762 0.026 0.000 1.587 132 H HN 0.240 nan 8.280 nan 0.000 0.500 133 K N 2.911 123.373 120.400 0.105 0.000 2.385 133 K HA 0.249 4.580 4.320 0.020 0.000 0.229 133 K C 0.986 177.489 176.600 -0.162 0.000 1.089 133 K CA 0.020 56.325 56.287 0.029 0.000 1.060 133 K CB 1.011 33.575 32.500 0.106 0.000 1.698 133 K HN 1.003 nan 8.250 nan 0.000 0.469 134 G N 1.993 110.708 108.800 -0.141 0.000 2.603 134 G HA2 -0.339 3.633 3.960 0.020 0.000 0.245 134 G HA3 -0.339 3.633 3.960 0.020 0.000 0.245 134 G C 0.832 175.597 174.900 -0.225 0.000 1.195 134 G CA 0.282 45.242 45.100 -0.234 0.000 0.953 134 G HN 0.433 nan 8.290 nan 0.000 0.566 135 E N 1.032 121.023 120.200 -0.350 0.000 2.016 135 E HA 0.096 4.458 4.350 0.020 0.000 0.190 135 E C 1.582 178.128 176.600 -0.089 0.000 0.985 135 E CA 1.888 58.179 56.400 -0.182 0.000 0.802 135 E CB -0.679 28.934 29.700 -0.145 0.000 0.762 135 E HN 0.786 nan 8.360 nan 0.000 0.448 136 Y N -0.851 119.469 120.300 0.033 0.000 2.295 136 Y HA 0.642 5.204 4.550 0.019 0.000 0.331 136 Y C 0.263 176.190 175.900 0.046 0.000 1.311 136 Y CA -1.030 57.091 58.100 0.034 0.000 1.430 136 Y CB 0.552 39.022 38.460 0.016 0.000 1.339 136 Y HN -0.275 nan 8.280 nan 0.000 0.552 137 S N 1.035 116.906 115.700 0.284 0.000 2.536 137 S HA 0.606 5.088 4.470 0.020 0.000 0.298 137 S C -0.978 173.681 174.600 0.097 0.000 1.083 137 S CA -0.902 57.390 58.200 0.153 0.000 0.995 137 S CB 1.166 64.410 63.200 0.073 0.000 1.058 137 S HN 0.547 nan 8.310 nan 0.000 0.488 138 L N 2.402 123.643 121.223 0.031 0.000 2.322 138 L HA 0.592 4.944 4.340 0.020 0.000 0.281 138 L C -0.891 175.930 176.870 -0.082 0.000 1.014 138 L CA -0.923 53.906 54.840 -0.017 0.000 0.815 138 L CB 1.730 43.795 42.059 0.009 0.000 1.247 138 L HN 0.334 nan 8.230 nan 0.000 0.421 139 V N 1.523 121.379 119.914 -0.095 0.000 2.439 139 V HA 0.294 4.426 4.120 0.020 0.000 0.282 139 V C -0.567 175.459 176.094 -0.114 0.000 1.039 139 V CA -0.362 61.864 62.300 -0.123 0.000 0.913 139 V CB 1.616 33.361 31.823 -0.129 0.000 0.983 139 V HN 0.620 nan 8.190 nan 0.000 0.460 140 D N 4.002 124.323 120.400 -0.131 0.000 2.505 140 D HA 0.390 5.041 4.640 0.020 0.000 0.250 140 D C 0.020 176.213 176.300 -0.177 0.000 1.164 140 D CA -0.493 53.420 54.000 -0.146 0.000 0.870 140 D CB 1.826 42.540 40.800 -0.143 0.000 1.160 140 D HN 0.190 nan 8.370 nan 0.000 0.549 141 L N 3.511 124.630 121.223 -0.174 0.000 2.592 141 L HA 0.172 4.524 4.340 0.020 0.000 0.227 141 L C 1.747 178.471 176.870 -0.243 0.000 1.127 141 L CA 0.106 54.842 54.840 -0.174 0.000 0.884 141 L CB -1.244 40.742 42.059 -0.121 0.000 1.065 141 L HN 0.386 nan 8.230 nan 0.000 0.457 142 N N 0.830 119.301 118.700 -0.382 0.000 2.069 142 N HA -0.263 4.489 4.740 0.020 0.000 0.196 142 N C 1.962 177.094 175.510 -0.630 0.000 1.024 142 N CA 1.440 54.126 53.050 -0.606 0.000 0.869 142 N CB -0.130 37.703 38.487 -1.089 0.000 1.035 142 N HN 0.351 nan 8.380 nan 0.000 0.434 143 R N 0.716 120.828 120.500 -0.647 0.000 2.115 143 R HA -0.017 4.335 4.340 0.020 0.000 0.226 143 R C 0.380 176.680 176.300 -0.000 0.000 1.100 143 R CA 0.166 56.197 56.100 -0.115 0.000 0.980 143 R CB -0.010 30.312 30.300 0.036 0.000 0.875 143 R HN 0.183 nan 8.270 nan 0.000 0.445 144 Q N 0.611 120.368 119.800 -0.071 0.000 2.485 144 Q HA -0.120 4.232 4.340 0.020 0.000 0.348 144 Q C 0.464 176.473 176.000 0.015 0.000 1.097 144 Q CA 1.757 57.543 55.803 -0.028 0.000 1.079 144 Q CB 0.376 29.074 28.738 -0.067 0.000 1.108 144 Q HN 0.629 nan 8.270 nan 0.000 0.400 145 G N 2.823 111.655 108.800 0.053 0.000 2.179 145 G HA2 -0.294 3.677 3.960 0.020 0.000 0.260 145 G HA3 -0.294 3.677 3.960 0.020 0.000 0.260 145 G C 0.244 175.194 174.900 0.082 0.000 0.977 145 G CA 0.628 45.781 45.100 0.089 0.000 0.641 145 G HN 0.942 nan 8.290 nan 0.000 0.533 146 T N 0.899 115.510 114.554 0.093 0.000 2.916 146 T HA 0.524 4.886 4.350 0.020 0.000 0.303 146 T C -1.677 173.068 174.700 0.075 0.000 1.025 146 T CA -0.782 61.375 62.100 0.095 0.000 1.142 146 T CB 1.892 70.845 68.868 0.141 0.000 0.947 146 T HN 0.290 nan 8.240 nan 0.000 0.544 147 P HA 0.274 nan 4.420 nan 0.000 0.268 147 P C -0.770 176.576 177.300 0.077 0.000 1.205 147 P CA -0.282 62.827 63.100 0.015 0.000 0.771 147 P CB 0.637 32.319 31.700 -0.029 0.000 0.858 148 L N 3.150 124.428 121.223 0.092 0.000 2.376 148 L HA 0.616 4.968 4.340 0.020 0.000 0.258 148 L C 0.179 177.081 176.870 0.054 0.000 1.013 148 L CA -1.197 53.707 54.840 0.107 0.000 0.822 148 L CB 2.229 44.394 42.059 0.175 0.000 1.388 148 L HN 0.346 nan 8.230 nan 0.000 0.413 149 I N -1.747 118.821 120.570 -0.002 0.000 2.499 149 I HA 0.566 4.747 4.170 0.020 0.000 0.288 149 I C -0.867 175.105 176.117 -0.240 0.000 1.048 149 I CA -0.532 60.707 61.300 -0.102 0.000 1.062 149 I CB 2.097 40.069 38.000 -0.047 0.000 1.238 149 I HN 0.548 nan 8.210 nan 0.000 0.426 150 E N 5.890 125.799 120.200 -0.485 0.000 2.231 150 E HA 0.619 4.981 4.350 0.020 0.000 0.277 150 E C -1.087 175.290 176.600 -0.371 0.000 0.999 150 E CA -0.875 55.138 56.400 -0.646 0.000 0.827 150 E CB 2.131 31.253 29.700 -0.963 0.000 1.101 150 E HN 0.647 nan 8.360 nan 0.000 0.393 151 I N 3.987 124.417 120.570 -0.234 0.000 2.563 151 I HA 0.175 4.356 4.170 0.020 0.000 0.276 151 I C -0.817 175.291 176.117 -0.015 0.000 1.074 151 I CA -0.698 60.550 61.300 -0.085 0.000 1.124 151 I CB 1.454 39.436 38.000 -0.030 0.000 1.225 151 I HN 0.178 nan 8.210 nan 0.000 0.482 152 V N 4.572 124.477 119.914 -0.014 0.000 2.405 152 V HA 0.107 4.239 4.120 0.020 0.000 0.264 152 V C 0.877 176.977 176.094 0.010 0.000 1.048 152 V CA -0.190 62.114 62.300 0.007 0.000 0.966 152 V CB 1.055 32.893 31.823 0.024 0.000 1.015 152 V HN 0.838 nan 8.190 nan 0.000 0.477 153 S N 3.578 119.258 115.700 -0.033 0.000 2.545 153 S HA 0.395 4.877 4.470 0.020 0.000 0.275 153 S C -0.158 174.378 174.600 -0.107 0.000 1.299 153 S CA -0.657 57.481 58.200 -0.102 0.000 1.048 153 S CB 1.300 64.228 63.200 -0.454 0.000 0.938 153 S HN 0.725 nan 8.310 nan 0.000 0.496 154 E N 2.700 122.864 120.200 -0.061 0.000 2.442 154 E HA 0.141 4.503 4.350 0.020 0.000 0.260 154 E C -1.839 174.699 176.600 -0.103 0.000 1.148 154 E CA -1.616 54.758 56.400 -0.043 0.000 0.976 154 E CB 0.300 29.999 29.700 -0.002 0.000 0.967 154 E HN 0.549 nan 8.360 nan 0.000 0.454 155 P HA 0.069 nan 4.420 nan 0.000 0.254 155 P C -0.792 176.416 177.300 -0.153 0.000 1.631 155 P CA 0.134 63.112 63.100 -0.203 0.000 0.861 155 P CB 0.205 31.690 31.700 -0.359 0.000 1.663 156 D N 0.016 120.356 120.400 -0.099 0.000 2.333 156 D HA 0.010 4.662 4.640 0.020 0.000 0.208 156 D C 1.114 177.371 176.300 -0.073 0.000 0.984 156 D CA 0.307 54.274 54.000 -0.054 0.000 0.873 156 D CB -0.170 40.620 40.800 -0.017 0.000 0.935 156 D HN 0.335 nan 8.370 nan 0.000 0.521 157 I N 0.186 120.680 120.570 -0.126 0.000 2.471 157 I HA 0.109 4.290 4.170 0.020 0.000 0.286 157 I C 0.445 176.505 176.117 -0.094 0.000 1.079 157 I CA -0.084 61.152 61.300 -0.106 0.000 1.398 157 I CB 0.728 38.629 38.000 -0.166 0.000 1.403 157 I HN -0.281 nan 8.210 nan 0.000 0.530 158 R N 5.487 125.954 120.500 -0.054 0.000 2.609 158 R HA 0.302 4.654 4.340 0.020 0.000 0.326 158 R C -0.446 175.840 176.300 -0.024 0.000 1.090 158 R CA 0.185 56.256 56.100 -0.049 0.000 1.072 158 R CB -0.449 29.830 30.300 -0.036 0.000 1.330 158 R HN 0.879 nan 8.270 nan 0.000 0.572 159 S N -1.393 114.298 115.700 -0.015 0.000 2.622 159 S HA 0.211 4.693 4.470 0.020 0.000 0.275 159 S C -2.622 171.989 174.600 0.018 0.000 1.112 159 S CA -1.001 57.204 58.200 0.008 0.000 0.837 159 S CB 2.170 65.383 63.200 0.021 0.000 1.082 159 S HN -0.167 nan 8.310 nan 0.000 0.456 160 P HA -0.060 nan 4.420 nan 0.000 0.225 160 P C 0.687 178.030 177.300 0.071 0.000 1.148 160 P CA 0.976 64.106 63.100 0.049 0.000 0.779 160 P CB -0.032 31.700 31.700 0.053 0.000 0.780 161 K N 0.312 120.742 120.400 0.049 0.000 2.211 161 K HA 0.049 4.381 4.320 0.020 0.000 0.201 161 K C 1.910 178.556 176.600 0.076 0.000 1.052 161 K CA 0.721 57.033 56.287 0.041 0.000 0.973 161 K CB -0.515 31.983 32.500 -0.002 0.000 0.766 161 K HN 0.243 nan 8.250 nan 0.000 0.466 162 E N 1.472 121.708 120.200 0.060 0.000 2.072 162 E HA -0.073 4.289 4.350 0.020 0.000 0.191 162 E C 2.137 178.795 176.600 0.097 0.000 0.985 162 E CA 0.933 57.372 56.400 0.065 0.000 0.801 162 E CB -0.178 29.541 29.700 0.032 0.000 0.750 162 E HN 0.318 nan 8.360 nan 0.000 0.452 163 A N 1.220 124.086 122.820 0.077 0.000 1.884 163 A HA -0.285 4.047 4.320 0.020 0.000 0.219 163 A C 2.075 179.742 177.584 0.138 0.000 1.197 163 A CA 1.931 54.015 52.037 0.077 0.000 0.637 163 A CB -1.093 17.941 19.000 0.058 0.000 0.827 163 A HN 0.427 nan 8.150 nan 0.000 0.450 164 Y N 0.460 120.771 120.300 0.017 0.000 2.097 164 Y HA -0.167 4.395 4.550 0.020 0.000 0.282 164 Y C 2.773 178.619 175.900 -0.090 0.000 1.152 164 Y CA 1.645 59.729 58.100 -0.026 0.000 1.136 164 Y CB -0.765 37.688 38.460 -0.012 0.000 0.975 164 Y HN 0.349 nan 8.280 nan 0.000 0.498 165 A N -0.283 122.678 122.820 0.236 0.000 1.884 165 A HA -0.326 4.006 4.320 0.020 0.000 0.219 165 A C 2.190 179.780 177.584 0.010 0.000 1.197 165 A CA 2.123 54.230 52.037 0.117 0.000 0.637 165 A CB -1.799 17.260 19.000 0.098 0.000 0.827 165 A HN 0.753 nan 8.150 nan 0.000 0.450 166 Y N -0.272 119.982 120.300 -0.076 0.000 2.049 166 Y HA -0.212 4.349 4.550 0.019 0.000 0.277 166 Y C 2.084 177.875 175.900 -0.182 0.000 1.143 166 Y CA 2.084 60.124 58.100 -0.099 0.000 1.115 166 Y CB -0.612 37.810 38.460 -0.064 0.000 0.975 166 Y HN 0.202 nan 8.280 nan 0.000 0.487 167 L N 1.244 122.428 121.223 -0.065 0.000 2.051 167 L HA -0.278 4.073 4.340 0.020 0.000 0.214 167 L C 2.521 178.966 176.870 -0.709 0.000 1.076 167 L CA 2.410 57.058 54.840 -0.320 0.000 0.758 167 L CB -1.099 40.795 42.059 -0.276 0.000 0.890 167 L HN 0.536 nan 8.230 nan 0.000 0.433 168 E N -1.305 118.424 120.200 -0.786 0.000 2.150 168 E HA -0.261 4.101 4.350 0.020 0.000 0.193 168 E C 2.040 178.404 176.600 -0.393 0.000 0.985 168 E CA 1.007 56.980 56.400 -0.712 0.000 0.814 168 E CB 0.197 29.621 29.700 -0.460 0.000 0.752 168 E HN 0.297 nan 8.360 nan 0.000 0.466 169 K N 0.356 120.549 120.400 -0.345 0.000 2.017 169 K HA -0.055 4.277 4.320 0.020 0.000 0.207 169 K C 2.030 178.430 176.600 -0.333 0.000 1.035 169 K CA 0.762 56.874 56.287 -0.293 0.000 0.947 169 K CB -0.683 31.657 32.500 -0.267 0.000 0.749 169 K HN 0.066 nan 8.250 nan 0.000 0.443 170 L N 1.760 122.708 121.223 -0.458 0.000 2.040 170 L HA -0.340 4.012 4.340 0.020 0.000 0.228 170 L C 2.321 179.043 176.870 -0.247 0.000 1.092 170 L CA 2.059 56.647 54.840 -0.419 0.000 0.805 170 L CB -0.702 41.022 42.059 -0.558 0.000 0.905 170 L HN 0.255 nan 8.230 nan 0.000 0.443 171 R N -0.496 119.879 120.500 -0.207 0.000 2.103 171 R HA -0.202 4.150 4.340 0.020 0.000 0.234 171 R C 2.454 178.710 176.300 -0.073 0.000 1.132 171 R CA 2.186 58.241 56.100 -0.075 0.000 0.925 171 R CB -1.234 29.076 30.300 0.017 0.000 0.842 171 R HN 0.601 nan 8.270 nan 0.000 0.430 172 S N 0.305 115.938 115.700 -0.111 0.000 2.368 172 S HA -0.171 4.310 4.470 0.020 0.000 0.226 172 S C 2.178 176.726 174.600 -0.088 0.000 1.044 172 S CA 1.841 59.995 58.200 -0.077 0.000 1.062 172 S CB -0.310 62.796 63.200 -0.156 0.000 0.931 172 S HN 0.393 nan 8.310 nan 0.000 0.440 173 I N 0.541 120.995 120.570 -0.194 0.000 2.076 173 I HA -0.202 3.980 4.170 0.020 0.000 0.237 173 I C 2.196 178.256 176.117 -0.094 0.000 1.059 173 I CA 1.329 62.505 61.300 -0.207 0.000 1.317 173 I CB -0.559 37.299 38.000 -0.237 0.000 1.037 173 I HN 0.283 nan 8.210 nan 0.000 0.398 174 I N 0.598 121.107 120.570 -0.101 0.000 2.236 174 I HA -0.333 3.849 4.170 0.020 0.000 0.249 174 I C 2.610 178.694 176.117 -0.055 0.000 1.102 174 I CA 1.499 62.749 61.300 -0.084 0.000 1.365 174 I CB -0.744 37.211 38.000 -0.076 0.000 1.051 174 I HN 0.348 nan 8.210 nan 0.000 0.420 175 Q N -0.121 119.678 119.800 -0.001 0.000 2.030 175 Q HA -0.259 4.092 4.340 0.020 0.000 0.204 175 Q C 2.387 178.409 176.000 0.035 0.000 0.986 175 Q CA 2.042 57.858 55.803 0.023 0.000 0.843 175 Q CB -0.496 28.290 28.738 0.080 0.000 0.904 175 Q HN 0.492 nan 8.270 nan 0.000 0.420 176 Y N 0.696 120.923 120.300 -0.121 0.000 2.298 176 Y HA -0.181 4.381 4.550 0.019 0.000 0.287 176 Y C 2.566 178.379 175.900 -0.144 0.000 1.164 176 Y CA 1.767 59.798 58.100 -0.115 0.000 1.229 176 Y CB -0.809 37.588 38.460 -0.105 0.000 0.977 176 Y HN 0.354 nan 8.280 nan 0.000 0.538 177 T N -3.365 111.172 114.554 -0.029 0.000 3.113 177 T HA 0.104 4.466 4.350 0.020 0.000 0.263 177 T C 1.917 176.427 174.700 -0.317 0.000 1.143 177 T CA 0.638 62.643 62.100 -0.159 0.000 1.090 177 T CB -0.813 67.945 68.868 -0.184 0.000 0.922 177 T HN 0.502 nan 8.240 nan 0.000 0.521 178 G N 1.052 109.686 108.800 -0.275 0.000 2.244 178 G HA2 -0.326 3.645 3.960 0.020 0.000 0.274 178 G HA3 -0.326 3.645 3.960 0.020 0.000 0.274 178 G C 0.918 175.405 174.900 -0.689 0.000 1.002 178 G CA 0.919 45.805 45.100 -0.357 0.000 0.740 178 G HN 1.439 nan 8.290 nan 0.000 0.516 179 V N -3.601 115.846 119.914 -0.779 0.000 3.406 179 V HA 0.623 4.755 4.120 0.020 0.000 0.263 179 V C 0.842 176.736 176.094 -0.332 0.000 1.172 179 V CA 1.343 62.948 62.300 -1.158 0.000 1.140 179 V CB 0.521 31.952 31.823 -0.654 0.000 0.784 179 V HN 1.244 nan 8.190 nan 0.000 0.467 180 S N -1.226 114.356 115.700 -0.196 0.000 2.611 180 S HA 0.394 4.875 4.470 0.020 0.000 0.268 180 S C -0.534 174.040 174.600 -0.044 0.000 1.156 180 S CA -0.133 58.048 58.200 -0.032 0.000 0.817 180 S CB 1.856 65.059 63.200 0.006 0.000 1.122 180 S HN 0.290 nan 8.310 nan 0.000 0.466 181 D N 1.090 121.485 120.400 -0.009 0.000 2.360 181 D HA 0.089 4.741 4.640 0.020 0.000 0.210 181 D C 0.906 177.205 176.300 -0.001 0.000 1.047 181 D CA 1.218 55.211 54.000 -0.013 0.000 0.854 181 D CB 0.214 41.010 40.800 -0.008 0.000 0.936 181 D HN 1.082 nan 8.370 nan 0.000 0.514 182 V N -0.518 119.401 119.914 0.008 0.000 5.726 182 V HA -0.300 3.832 4.120 0.020 0.000 0.260 182 V C -0.336 175.771 176.094 0.020 0.000 0.657 182 V CA 0.723 63.038 62.300 0.025 0.000 0.584 182 V CB -2.399 29.447 31.823 0.038 0.000 0.241 182 V HN 0.129 nan 8.190 nan 0.000 0.652 183 K N 1.423 121.821 120.400 -0.004 0.000 2.450 183 K HA 0.639 4.970 4.320 0.020 0.000 0.257 183 K C 0.830 177.393 176.600 -0.062 0.000 0.953 183 K CA -0.679 55.587 56.287 -0.035 0.000 0.844 183 K CB 1.703 34.189 32.500 -0.024 0.000 1.103 183 K HN 0.403 nan 8.250 nan 0.000 0.429 184 M N 1.381 120.896 119.600 -0.141 0.000 2.296 184 M HA -0.148 4.344 4.480 0.020 0.000 0.265 184 M C 0.933 177.184 176.300 -0.081 0.000 1.064 184 M CA 1.719 56.935 55.300 -0.140 0.000 1.109 184 M CB -0.039 32.392 32.600 -0.281 0.000 1.396 184 M HN 0.575 nan 8.290 nan 0.000 0.430 185 E N 0.489 120.645 120.200 -0.074 0.000 2.153 185 E HA -0.182 4.180 4.350 0.020 0.000 0.194 185 E C 1.189 177.779 176.600 -0.016 0.000 0.988 185 E CA 1.056 57.437 56.400 -0.032 0.000 0.811 185 E CB -0.063 29.622 29.700 -0.025 0.000 0.746 185 E HN 0.544 nan 8.360 nan 0.000 0.466 186 E N -0.707 119.481 120.200 -0.020 0.000 2.476 186 E HA 0.148 4.510 4.350 0.020 0.000 0.196 186 E C 0.546 177.146 176.600 -0.000 0.000 1.029 186 E CA 0.171 56.565 56.400 -0.010 0.000 0.896 186 E CB 0.813 30.503 29.700 -0.016 0.000 1.012 186 E HN 0.304 nan 8.360 nan 0.000 0.475 187 G N 2.138 110.936 108.800 -0.003 0.000 2.225 187 G HA2 -0.351 3.620 3.960 0.020 0.000 0.267 187 G HA3 -0.351 3.620 3.960 0.020 0.000 0.267 187 G C 0.794 175.711 174.900 0.028 0.000 1.024 187 G CA 0.802 45.910 45.100 0.013 0.000 0.784 187 G HN 0.399 nan 8.290 nan 0.000 0.507 188 S N -1.259 114.453 115.700 0.020 0.000 2.622 188 S HA 0.647 5.129 4.470 0.020 0.000 0.236 188 S C 0.235 174.860 174.600 0.041 0.000 0.956 188 S CA -0.068 58.154 58.200 0.036 0.000 0.971 188 S CB 0.831 64.046 63.200 0.026 0.000 0.782 188 S HN 1.213 nan 8.310 nan 0.000 0.468 189 L N 1.650 122.894 121.223 0.036 0.000 2.710 189 L HA 0.535 4.886 4.340 0.020 0.000 0.262 189 L C -1.739 175.156 176.870 0.042 0.000 0.940 189 L CA -0.126 54.743 54.840 0.048 0.000 0.944 189 L CB 1.736 43.814 42.059 0.032 0.000 1.348 189 L HN 0.310 nan 8.230 nan 0.000 0.425 190 R N 3.631 124.184 120.500 0.088 0.000 2.744 190 R HA 0.765 5.116 4.340 0.020 0.000 0.279 190 R C -1.261 175.110 176.300 0.119 0.000 0.977 190 R CA -0.626 55.522 56.100 0.080 0.000 0.906 190 R CB 2.528 32.870 30.300 0.070 0.000 1.197 190 R HN 0.613 nan 8.270 nan 0.000 0.463 191 C N 1.591 120.946 119.300 0.092 0.000 2.431 191 C HA 0.483 4.955 4.460 0.020 0.000 0.321 191 C C -1.378 173.659 174.990 0.079 0.000 1.202 191 C CA -0.499 58.584 59.018 0.108 0.000 1.398 191 C CB 0.958 28.770 27.740 0.119 0.000 2.047 191 C HN 0.801 nan 8.230 nan 0.000 0.465 192 D N 3.571 124.025 120.400 0.091 0.000 2.308 192 D HA 0.670 5.321 4.640 0.020 0.000 0.242 192 D C -0.200 176.128 176.300 0.046 0.000 1.059 192 D CA 0.283 54.322 54.000 0.065 0.000 0.830 192 D CB 1.905 42.756 40.800 0.085 0.000 1.161 192 D HN 0.863 nan 8.370 nan 0.000 0.494 193 A N 2.887 125.721 122.820 0.023 0.000 2.288 193 A HA 0.765 5.097 4.320 0.020 0.000 0.328 193 A C -0.550 177.028 177.584 -0.009 0.000 1.123 193 A CA -0.709 51.327 52.037 -0.001 0.000 0.861 193 A CB 0.935 19.930 19.000 -0.008 0.000 1.272 193 A HN 0.554 nan 8.150 nan 0.000 0.490 194 N N 0.336 119.013 118.700 -0.038 0.000 2.500 194 N HA 0.397 5.148 4.740 0.020 0.000 0.291 194 N C -1.782 173.680 175.510 -0.080 0.000 1.092 194 N CA -0.089 52.931 53.050 -0.050 0.000 0.890 194 N CB 2.070 40.520 38.487 -0.061 0.000 1.466 194 N HN 0.666 nan 8.380 nan 0.000 0.507 195 I N 1.373 121.905 120.570 -0.063 0.000 2.646 195 I HA 0.593 4.775 4.170 0.020 0.000 0.299 195 I C -0.874 175.192 176.117 -0.086 0.000 1.036 195 I CA -0.383 60.870 61.300 -0.078 0.000 1.074 195 I CB 1.635 39.611 38.000 -0.040 0.000 1.258 195 I HN 0.584 nan 8.210 nan 0.000 0.430 196 S N 6.895 122.526 115.700 -0.114 0.000 2.590 196 S HA 0.433 4.915 4.470 0.020 0.000 0.286 196 S C -1.677 172.847 174.600 -0.127 0.000 1.147 196 S CA -0.848 57.285 58.200 -0.111 0.000 0.963 196 S CB 0.924 64.066 63.200 -0.096 0.000 1.124 196 S HN 0.443 nan 8.310 nan 0.000 0.458 197 L N 3.488 124.610 121.223 -0.169 0.000 2.281 197 L HA 0.568 4.919 4.340 0.020 0.000 0.285 197 L C 0.781 177.567 176.870 -0.139 0.000 1.074 197 L CA 0.208 54.920 54.840 -0.214 0.000 0.817 197 L CB 0.663 42.427 42.059 -0.493 0.000 1.168 197 L HN 0.818 nan 8.230 nan 0.000 0.434 198 R N 5.227 125.713 120.500 -0.024 0.000 2.272 198 R HA 0.401 4.753 4.340 0.020 0.000 0.323 198 R C -2.429 173.955 176.300 0.140 0.000 1.002 198 R CA -1.777 54.359 56.100 0.060 0.000 0.900 198 R CB 1.072 31.426 30.300 0.090 0.000 1.151 198 R HN 0.312 nan 8.270 nan 0.000 0.507 199 P HA -0.123 nan 4.420 nan 0.000 0.253 199 P C -0.914 176.562 177.300 0.293 0.000 1.170 199 P CA 0.318 63.680 63.100 0.437 0.000 0.806 199 P CB -0.050 31.909 31.700 0.432 0.000 0.775 200 Y N 3.243 123.605 120.300 0.104 0.000 2.585 200 Y HA -0.049 4.513 4.550 0.020 0.000 0.413 200 Y C 1.923 177.866 175.900 0.072 0.000 1.201 200 Y CA 2.075 60.206 58.100 0.052 0.000 1.634 200 Y CB -1.311 37.142 38.460 -0.012 0.000 1.116 200 Y HN 0.788 nan 8.280 nan 0.000 0.474 201 G N 2.217 111.090 108.800 0.122 0.000 2.145 201 G HA2 -0.216 3.756 3.960 0.020 0.000 0.176 201 G HA3 -0.216 3.756 3.960 0.020 0.000 0.176 201 G C -0.204 174.736 174.900 0.067 0.000 1.013 201 G CA -0.149 45.007 45.100 0.094 0.000 0.689 201 G HN 0.605 nan 8.290 nan 0.000 0.506 202 Q N -0.827 119.005 119.800 0.054 0.000 2.204 202 Q HA 0.691 5.043 4.340 0.020 0.000 0.254 202 Q C 0.903 176.893 176.000 -0.017 0.000 0.981 202 Q CA -0.601 55.224 55.803 0.037 0.000 0.897 202 Q CB 1.264 30.040 28.738 0.062 0.000 1.273 202 Q HN 0.281 nan 8.270 nan 0.000 0.464 203 E N 0.566 120.733 120.200 -0.055 0.000 2.280 203 E HA 0.034 4.396 4.350 0.020 0.000 0.197 203 E C -0.539 175.921 176.600 -0.232 0.000 0.913 203 E CA 0.036 56.358 56.400 -0.131 0.000 0.995 203 E CB 0.396 30.035 29.700 -0.102 0.000 0.991 203 E HN 0.535 nan 8.360 nan 0.000 0.484 204 K N 1.355 121.665 120.400 -0.149 0.000 2.472 204 K HA 0.028 4.359 4.320 0.020 0.000 0.280 204 K C -0.287 176.270 176.600 -0.072 0.000 1.028 204 K CA -0.119 56.084 56.287 -0.139 0.000 1.045 204 K CB 0.224 32.695 32.500 -0.049 0.000 0.902 204 K HN -0.196 nan 8.250 nan 0.000 0.478 205 F N 1.855 121.792 119.950 -0.023 0.000 2.587 205 F HA 0.066 4.604 4.527 0.018 0.000 0.327 205 F C 1.838 177.618 175.800 -0.034 0.000 1.232 205 F CA 0.596 58.575 58.000 -0.034 0.000 1.353 205 F CB -0.110 38.869 39.000 -0.035 0.000 1.156 205 F HN 0.846 nan 8.300 nan 0.000 0.599 206 G N -0.273 108.652 108.800 0.208 0.000 2.447 206 G HA2 0.300 4.271 3.960 0.020 0.000 0.269 206 G HA3 0.300 4.271 3.960 0.020 0.000 0.269 206 G C -0.671 174.258 174.900 0.047 0.000 1.455 206 G CA -0.111 45.025 45.100 0.060 0.000 1.061 206 G HN 0.672 nan 8.290 nan 0.000 0.545 207 T N -0.476 114.076 114.554 -0.003 0.000 2.788 207 T HA 0.483 4.845 4.350 0.020 0.000 0.296 207 T C 0.246 174.932 174.700 -0.022 0.000 1.009 207 T CA -0.747 61.352 62.100 -0.000 0.000 0.949 207 T CB 0.118 68.985 68.868 -0.002 0.000 0.946 207 T HN 0.651 nan 8.240 nan 0.000 0.453 208 K N 3.223 123.610 120.400 -0.022 0.000 2.219 208 K HA 0.680 5.012 4.320 0.020 0.000 0.258 208 K C -0.345 176.246 176.600 -0.015 0.000 1.008 208 K CA -0.813 55.453 56.287 -0.035 0.000 0.928 208 K CB 0.789 33.261 32.500 -0.046 0.000 0.983 208 K HN 0.505 nan 8.250 nan 0.000 0.484 209 A N 1.828 124.641 122.820 -0.012 0.000 2.679 209 A HA 0.178 4.509 4.320 0.020 0.000 0.288 209 A C -0.866 176.726 177.584 0.014 0.000 1.160 209 A CA -0.718 51.322 52.037 0.006 0.000 0.763 209 A CB 0.343 19.351 19.000 0.013 0.000 1.270 209 A HN 0.856 nan 8.150 nan 0.000 0.417 210 E N 1.313 121.523 120.200 0.017 0.000 2.653 210 E HA 0.029 4.390 4.350 0.020 0.000 0.264 210 E C -0.703 175.917 176.600 0.034 0.000 0.949 210 E CA 0.600 57.014 56.400 0.024 0.000 0.953 210 E CB 0.363 30.081 29.700 0.030 0.000 0.925 210 E HN 0.624 nan 8.360 nan 0.000 0.475 211 L N 5.337 126.580 121.223 0.035 0.000 2.506 211 L HA 0.194 4.546 4.340 0.020 0.000 0.247 211 L C -0.082 176.819 176.870 0.051 0.000 1.141 211 L CA -0.773 54.096 54.840 0.049 0.000 0.973 211 L CB 0.282 42.362 42.059 0.035 0.000 1.319 211 L HN 0.358 nan 8.230 nan 0.000 0.455 212 K N 0.615 121.050 120.400 0.058 0.000 2.181 212 K HA -0.060 4.272 4.320 0.020 0.000 0.239 212 K C 0.808 177.457 176.600 0.082 0.000 1.073 212 K CA 0.007 56.328 56.287 0.056 0.000 0.839 212 K CB -0.012 32.515 32.500 0.045 0.000 1.116 212 K HN 0.474 nan 8.250 nan 0.000 0.518 213 N N -0.456 118.286 118.700 0.070 0.000 2.710 213 N HA -0.224 4.528 4.740 0.020 0.000 0.249 213 N C -1.318 174.252 175.510 0.100 0.000 1.059 213 N CA -0.053 53.048 53.050 0.086 0.000 0.720 213 N CB -0.792 37.756 38.487 0.100 0.000 0.983 213 N HN 0.265 nan 8.380 nan 0.000 0.544 214 L N 1.083 122.325 121.223 0.031 0.000 2.255 214 L HA 0.281 4.633 4.340 0.020 0.000 0.289 214 L C 0.529 177.401 176.870 0.004 0.000 1.046 214 L CA -0.494 54.325 54.840 -0.034 0.000 0.816 214 L CB 1.122 43.141 42.059 -0.066 0.000 1.197 214 L HN 0.207 nan 8.230 nan 0.000 0.427 215 N N 2.056 120.768 118.700 0.018 0.000 2.328 215 N HA 0.123 4.874 4.740 0.020 0.000 0.247 215 N C -0.381 175.159 175.510 0.049 0.000 1.165 215 N CA 0.008 53.069 53.050 0.019 0.000 0.873 215 N CB 1.352 39.838 38.487 -0.001 0.000 1.125 215 N HN 0.484 nan 8.380 nan 0.000 0.513 216 S N -0.673 115.054 115.700 0.045 0.000 2.714 216 S HA 0.136 4.617 4.470 0.020 0.000 0.297 216 S C 0.122 174.694 174.600 -0.047 0.000 0.993 216 S CA -0.589 57.551 58.200 -0.101 0.000 0.844 216 S CB -0.201 63.034 63.200 0.059 0.000 1.043 216 S HN -0.068 nan 8.310 nan 0.000 0.457 217 F N 3.202 123.125 119.950 -0.045 0.000 2.045 217 F HA -0.155 4.383 4.527 0.019 0.000 0.297 217 F C 2.438 178.264 175.800 0.043 0.000 1.114 217 F CA 2.319 60.230 58.000 -0.147 0.000 1.207 217 F CB -1.492 37.204 39.000 -0.506 0.000 0.964 217 F HN 0.742 nan 8.300 nan 0.000 0.486 218 N N -0.649 118.203 118.700 0.253 0.000 2.011 218 N HA -0.268 4.484 4.740 0.020 0.000 0.199 218 N C 1.857 177.367 175.510 0.000 0.000 1.047 218 N CA 1.976 55.098 53.050 0.120 0.000 0.863 218 N CB -0.729 37.663 38.487 -0.158 0.000 1.056 218 N HN 0.199 nan 8.380 nan 0.000 0.427 219 Y N 0.623 120.952 120.300 0.049 0.000 2.114 219 Y HA -0.216 4.346 4.550 0.020 0.000 0.282 219 Y C 2.558 178.304 175.900 -0.256 0.000 1.165 219 Y CA 1.547 59.589 58.100 -0.096 0.000 1.148 219 Y CB -1.329 37.081 38.460 -0.082 0.000 0.972 219 Y HN 0.131 nan 8.280 nan 0.000 0.504 220 V N -0.325 119.599 119.914 0.017 0.000 2.380 220 V HA -0.329 3.803 4.120 0.020 0.000 0.251 220 V C 2.263 178.348 176.094 -0.015 0.000 1.063 220 V CA 2.000 64.276 62.300 -0.041 0.000 1.055 220 V CB -0.583 31.281 31.823 0.069 0.000 0.657 220 V HN 0.335 nan 8.190 nan 0.000 0.455 221 R N 0.112 120.660 120.500 0.080 0.000 2.096 221 R HA -0.105 4.247 4.340 0.020 0.000 0.229 221 R C 2.559 178.890 176.300 0.052 0.000 1.134 221 R CA 2.015 58.175 56.100 0.099 0.000 0.917 221 R CB -0.501 29.889 30.300 0.149 0.000 0.832 221 R HN 0.471 nan 8.270 nan 0.000 0.430 222 K N -0.110 120.323 120.400 0.054 0.000 1.998 222 K HA -0.208 4.124 4.320 0.020 0.000 0.228 222 K C 2.151 178.818 176.600 0.112 0.000 1.053 222 K CA 1.971 58.329 56.287 0.118 0.000 0.988 222 K CB -1.321 31.308 32.500 0.215 0.000 0.735 222 K HN 0.422 nan 8.250 nan 0.000 0.448 223 G N 1.757 110.464 108.800 -0.155 0.000 2.574 223 G HA2 -0.286 3.686 3.960 0.020 0.000 0.220 223 G HA3 -0.286 3.686 3.960 0.020 0.000 0.220 223 G C 1.657 176.609 174.900 0.087 0.000 1.173 223 G CA 1.206 46.252 45.100 -0.089 0.000 0.772 223 G HN 0.142 nan 8.290 nan 0.000 0.585 224 L N 1.557 122.790 121.223 0.017 0.000 1.990 224 L HA -0.115 4.237 4.340 0.020 0.000 0.213 224 L C 3.088 180.012 176.870 0.090 0.000 1.072 224 L CA 2.565 57.434 54.840 0.049 0.000 0.755 224 L CB -0.860 41.217 42.059 0.029 0.000 0.889 224 L HN 0.694 nan 8.230 nan 0.000 0.432 225 E N -2.180 118.084 120.200 0.108 0.000 2.107 225 E HA -0.287 4.075 4.350 0.020 0.000 0.191 225 E C 2.306 178.995 176.600 0.148 0.000 0.982 225 E CA 1.298 57.764 56.400 0.110 0.000 0.809 225 E CB -0.875 28.884 29.700 0.099 0.000 0.756 225 E HN 0.521 nan 8.360 nan 0.000 0.459 226 Y N 2.327 122.680 120.300 0.088 0.000 2.089 226 Y HA -0.241 4.321 4.550 0.019 0.000 0.282 226 Y C 2.381 178.332 175.900 0.085 0.000 1.139 226 Y CA 2.272 60.435 58.100 0.105 0.000 1.123 226 Y CB -0.215 38.345 38.460 0.167 0.000 0.980 226 Y HN 0.061 nan 8.280 nan 0.000 0.493 227 E N 0.752 121.165 120.200 0.354 0.000 2.204 227 E HA -0.241 4.121 4.350 0.020 0.000 0.195 227 E C 2.073 178.703 176.600 0.050 0.000 0.990 227 E CA 1.552 58.073 56.400 0.202 0.000 0.821 227 E CB -0.390 29.426 29.700 0.192 0.000 0.750 227 E HN 0.714 nan 8.360 nan 0.000 0.477 228 E N -0.082 120.146 120.200 0.046 0.000 2.051 228 E HA -0.232 4.129 4.350 0.020 0.000 0.192 228 E C 1.737 178.336 176.600 -0.002 0.000 0.991 228 E CA 1.180 57.589 56.400 0.016 0.000 0.799 228 E CB 0.055 29.778 29.700 0.038 0.000 0.748 228 E HN 0.049 nan 8.360 nan 0.000 0.449 229 K N 0.410 120.792 120.400 -0.031 0.000 1.984 229 K HA -0.092 4.240 4.320 0.020 0.000 0.209 229 K C 2.253 178.801 176.600 -0.087 0.000 1.046 229 K CA 0.503 56.759 56.287 -0.051 0.000 0.934 229 K CB -0.418 32.013 32.500 -0.114 0.000 0.717 229 K HN 0.044 nan 8.250 nan 0.000 0.438 230 R N 1.547 121.932 120.500 -0.191 0.000 2.248 230 R HA -0.257 4.095 4.340 0.020 0.000 0.236 230 R C 2.275 178.538 176.300 -0.061 0.000 1.111 230 R CA 2.495 58.505 56.100 -0.150 0.000 0.894 230 R CB -1.096 29.153 30.300 -0.085 0.000 0.905 230 R HN 0.595 nan 8.270 nan 0.000 0.426 231 Q N -0.310 119.458 119.800 -0.053 0.000 2.224 231 Q HA -0.108 4.244 4.340 0.020 0.000 0.203 231 Q C 1.910 177.847 176.000 -0.105 0.000 0.970 231 Q CA 1.486 57.243 55.803 -0.076 0.000 0.865 231 Q CB -0.289 28.387 28.738 -0.104 0.000 0.922 231 Q HN 0.543 nan 8.270 nan 0.000 0.445 232 E N 2.214 122.385 120.200 -0.049 0.000 2.021 232 E HA -0.318 4.044 4.350 0.020 0.000 0.200 232 E C 2.021 178.774 176.600 0.256 0.000 1.015 232 E CA 1.959 58.436 56.400 0.129 0.000 0.824 232 E CB -0.075 29.796 29.700 0.286 0.000 0.762 232 E HN 0.672 nan 8.360 nan 0.000 0.454 233 E N 0.499 120.786 120.200 0.146 0.000 2.031 233 E HA -0.241 4.121 4.350 0.020 0.000 0.193 233 E C 2.021 178.679 176.600 0.097 0.000 0.994 233 E CA 1.482 57.954 56.400 0.119 0.000 0.800 233 E CB -0.489 29.242 29.700 0.051 0.000 0.752 233 E HN 0.340 nan 8.360 nan 0.000 0.447 234 E N -0.096 120.133 120.200 0.047 0.000 2.393 234 E HA -0.158 4.204 4.350 0.020 0.000 0.201 234 E C 1.415 178.043 176.600 0.046 0.000 1.025 234 E CA 0.461 56.881 56.400 0.033 0.000 0.856 234 E CB -0.000 29.705 29.700 0.008 0.000 0.771 234 E HN 0.245 nan 8.360 nan 0.000 0.526 235 L N 0.247 121.517 121.223 0.078 0.000 2.567 235 L HA -0.029 4.323 4.340 0.020 0.000 0.225 235 L C 1.521 178.522 176.870 0.219 0.000 1.119 235 L CA 0.446 55.353 54.840 0.111 0.000 0.871 235 L CB 0.194 42.239 42.059 -0.023 0.000 1.036 235 L HN 0.182 nan 8.230 nan 0.000 0.459 236 L N -1.766 119.569 121.223 0.188 0.000 2.408 236 L HA 0.152 4.504 4.340 0.020 0.000 0.215 236 L C 1.337 178.255 176.870 0.079 0.000 1.081 236 L CA 1.039 55.959 54.840 0.134 0.000 0.840 236 L CB -0.630 41.492 42.059 0.107 0.000 1.002 236 L HN 0.293 nan 8.230 nan 0.000 0.468 237 N N -0.950 117.791 118.700 0.069 0.000 2.592 237 N HA 0.151 4.903 4.740 0.020 0.000 0.290 237 N C 0.780 176.316 175.510 0.044 0.000 1.364 237 N CA 0.325 53.403 53.050 0.045 0.000 0.878 237 N CB 0.428 38.937 38.487 0.036 0.000 1.104 237 N HN 0.211 nan 8.380 nan 0.000 0.485 238 G N -1.261 107.559 108.800 0.033 0.000 3.224 238 G HA2 0.420 4.391 3.960 0.020 0.000 0.161 238 G HA3 0.420 4.391 3.960 0.020 0.000 0.161 238 G C -0.204 174.714 174.900 0.031 0.000 1.872 238 G CA 0.520 45.638 45.100 0.030 0.000 1.012 238 G HN 0.868 nan 8.290 nan 0.000 0.504 239 G N -1.847 106.967 108.800 0.022 0.000 2.785 239 G HA2 0.022 3.993 3.960 0.020 0.000 0.686 239 G HA3 0.022 3.993 3.960 0.020 0.000 0.686 239 G C -0.068 174.837 174.900 0.008 0.000 1.155 239 G CA 0.428 45.538 45.100 0.015 0.000 0.760 239 G HN 0.629 nan 8.290 nan 0.000 0.624 240 E N 0.805 121.005 120.200 0.000 0.000 3.001 240 E HA 0.168 4.530 4.350 0.020 0.000 0.211 240 E C 1.820 178.412 176.600 -0.014 0.000 1.026 240 E CA 0.054 56.450 56.400 -0.006 0.000 1.614 240 E CB 0.418 30.120 29.700 0.003 0.000 1.672 240 E HN 1.737 nan 8.360 nan 0.000 0.869 241 I N -0.000 120.566 120.570 -0.006 0.000 6.028 241 I HA -0.257 3.925 4.170 0.020 0.000 0.126 241 I C 0.658 176.772 176.117 -0.005 0.000 1.818 241 I CA 0.709 62.006 61.300 -0.005 0.000 2.061 241 I CB -2.412 35.578 38.000 -0.016 0.000 3.422 241 I HN 0.200 nan 8.210 nan 0.000 0.176 242 G N 1.613 110.412 108.800 -0.002 0.000 2.045 242 G HA2 -0.152 3.820 3.960 0.020 0.000 0.747 242 G HA3 -0.152 3.820 3.960 0.020 0.000 0.747 242 G C 0.273 175.176 174.900 0.004 0.000 1.330 242 G CA 0.788 45.889 45.100 0.001 0.000 1.150 242 G HN 0.726 nan 8.290 nan 0.000 0.592 243 Q N 1.113 120.917 119.800 0.007 0.000 2.667 243 Q HA 0.089 4.441 4.340 0.020 0.000 0.185 243 Q C 0.424 176.429 176.000 0.008 0.000 1.117 243 Q CA 0.528 56.336 55.803 0.009 0.000 0.937 243 Q CB -0.961 27.783 28.738 0.010 0.000 1.710 243 Q HN 0.586 nan 8.270 nan 0.000 0.447 244 E N -1.010 119.195 120.200 0.009 0.000 2.256 244 E HA 0.570 4.932 4.350 0.020 0.000 0.267 244 E C -0.848 175.761 176.600 0.015 0.000 0.892 244 E CA -0.932 55.475 56.400 0.011 0.000 0.775 244 E CB 1.396 31.104 29.700 0.013 0.000 1.207 244 E HN 0.062 nan 8.360 nan 0.000 0.420 245 T N 1.679 116.243 114.554 0.016 0.000 2.943 245 T HA 0.551 4.913 4.350 0.020 0.000 0.284 245 T C -0.297 174.419 174.700 0.027 0.000 1.015 245 T CA -0.766 61.347 62.100 0.021 0.000 1.042 245 T CB 0.932 69.808 68.868 0.014 0.000 1.055 245 T HN 0.365 nan 8.240 nan 0.000 0.500 246 R N 0.703 121.225 120.500 0.038 0.000 2.566 246 R HA 0.378 4.730 4.340 0.020 0.000 0.271 246 R C -0.674 175.663 176.300 0.061 0.000 1.071 246 R CA -0.932 55.198 56.100 0.050 0.000 0.915 246 R CB 2.245 32.587 30.300 0.070 0.000 1.228 246 R HN 0.678 nan 8.270 nan 0.000 0.449 247 R N 1.574 122.105 120.500 0.051 0.000 2.598 247 R HA 0.416 4.768 4.340 0.020 0.000 0.279 247 R C -0.938 175.415 176.300 0.088 0.000 0.984 247 R CA -0.578 55.559 56.100 0.061 0.000 0.999 247 R CB 1.068 31.379 30.300 0.019 0.000 1.114 247 R HN 0.384 nan 8.270 nan 0.000 0.493 248 F N 2.050 121.968 119.950 -0.052 0.000 2.385 248 F HA 0.195 4.734 4.527 0.019 0.000 0.360 248 F C -0.312 175.420 175.800 -0.113 0.000 1.122 248 F CA -0.991 56.959 58.000 -0.084 0.000 1.090 248 F CB 1.204 40.164 39.000 -0.066 0.000 1.150 248 F HN 0.550 nan 8.300 nan 0.000 0.472 249 D N 5.550 125.445 120.400 -0.841 0.000 2.352 249 D HA 0.024 4.676 4.640 0.020 0.000 0.245 249 D C 0.850 176.517 176.300 -1.054 0.000 1.224 249 D CA 0.301 53.877 54.000 -0.707 0.000 0.879 249 D CB 0.854 41.377 40.800 -0.461 0.000 1.057 249 D HN 0.763 nan 8.370 nan 0.000 0.491 250 E N 1.091 120.882 120.200 -0.681 0.000 2.331 250 E HA -0.167 4.194 4.350 0.020 0.000 0.199 250 E C 1.702 178.141 176.600 -0.268 0.000 1.008 250 E CA 0.910 57.029 56.400 -0.468 0.000 0.843 250 E CB 0.360 29.856 29.700 -0.339 0.000 0.761 250 E HN 0.462 nan 8.360 nan 0.000 0.507 251 S N -0.702 114.845 115.700 -0.254 0.000 2.452 251 S HA -0.086 4.395 4.470 0.020 0.000 0.225 251 S C 2.247 176.773 174.600 -0.123 0.000 1.057 251 S CA 0.841 58.963 58.200 -0.130 0.000 0.949 251 S CB -0.369 62.769 63.200 -0.104 0.000 0.836 251 S HN 0.282 nan 8.310 nan 0.000 0.518 252 T N -1.241 113.197 114.554 -0.193 0.000 2.896 252 T HA 0.357 4.719 4.350 0.020 0.000 0.263 252 T C 1.605 176.195 174.700 -0.182 0.000 1.050 252 T CA 0.943 62.951 62.100 -0.154 0.000 1.140 252 T CB -1.029 67.740 68.868 -0.164 0.000 0.877 252 T HN 1.526 nan 8.240 nan 0.000 0.457 253 G N 1.764 110.344 108.800 -0.367 0.000 2.325 253 G HA2 -0.125 3.846 3.960 0.020 0.000 0.248 253 G HA3 -0.125 3.846 3.960 0.020 0.000 0.248 253 G C -0.290 174.223 174.900 -0.645 0.000 1.108 253 G CA 0.038 44.945 45.100 -0.321 0.000 0.881 253 G HN 0.790 nan 8.290 nan 0.000 0.494 254 K N -0.918 118.956 120.400 -0.878 0.000 2.263 254 K HA 0.837 5.168 4.320 0.020 0.000 0.249 254 K C -0.191 176.106 176.600 -0.505 0.000 1.076 254 K CA -0.479 55.089 56.287 -1.197 0.000 0.884 254 K CB 1.435 33.563 32.500 -0.620 0.000 1.394 254 K HN 0.464 nan 8.250 nan 0.000 0.476 255 T N -0.999 113.458 114.554 -0.163 0.000 2.809 255 T HA 0.528 4.890 4.350 0.020 0.000 0.296 255 T C -0.207 174.529 174.700 0.059 0.000 1.015 255 T CA -0.694 61.452 62.100 0.077 0.000 0.954 255 T CB -0.250 68.754 68.868 0.227 0.000 0.950 255 T HN 0.378 nan 8.240 nan 0.000 0.450 256 I N 4.736 125.311 120.570 0.009 0.000 2.342 256 I HA 0.262 4.443 4.170 0.020 0.000 0.291 256 I C 0.442 176.571 176.117 0.020 0.000 1.010 256 I CA -1.178 60.124 61.300 0.003 0.000 1.308 256 I CB 1.436 39.416 38.000 -0.033 0.000 1.400 256 I HN 0.467 nan 8.210 nan 0.000 0.488 257 L N 8.756 129.993 121.223 0.024 0.000 2.418 257 L HA 0.176 4.528 4.340 0.020 0.000 0.274 257 L C 0.503 177.378 176.870 0.009 0.000 1.135 257 L CA 0.230 55.083 54.840 0.021 0.000 0.870 257 L CB 0.870 42.942 42.059 0.021 0.000 1.154 257 L HN 0.864 nan 8.230 nan 0.000 0.462 258 M N 3.464 123.069 119.600 0.008 0.000 2.412 258 M HA 0.419 4.911 4.480 0.020 0.000 0.315 258 M C -0.233 176.066 176.300 -0.003 0.000 1.092 258 M CA -0.277 55.022 55.300 -0.001 0.000 0.974 258 M CB 0.779 33.377 32.600 -0.003 0.000 1.437 258 M HN 0.571 nan 8.290 nan 0.000 0.524 259 R N -0.658 119.842 120.500 0.000 0.000 3.000 259 R HA 0.655 5.007 4.340 0.020 0.000 0.280 259 R C -2.151 174.150 176.300 0.001 0.000 0.950 259 R CA -0.500 55.599 56.100 -0.003 0.000 0.822 259 R CB 1.535 31.831 30.300 -0.007 0.000 1.445 259 R HN -0.012 nan 8.270 nan 0.000 0.492 260 V N 2.451 122.365 119.914 -0.001 0.000 2.663 260 V HA 0.314 4.446 4.120 0.020 0.000 0.286 260 V C -0.987 175.105 176.094 -0.003 0.000 1.085 260 V CA -1.048 61.252 62.300 0.001 0.000 0.916 260 V CB 1.827 33.651 31.823 0.002 0.000 1.039 260 V HN 0.523 nan 8.190 nan 0.000 0.453 261 K N 3.539 123.938 120.400 -0.003 0.000 2.550 261 K HA -0.052 4.280 4.320 0.020 0.000 0.280 261 K C 1.269 177.864 176.600 -0.008 0.000 0.987 261 K CA 0.484 56.766 56.287 -0.008 0.000 1.048 261 K CB 0.814 33.310 32.500 -0.006 0.000 0.879 261 K HN 0.938 nan 8.250 nan 0.000 0.491 262 E N 1.372 121.563 120.200 -0.014 0.000 2.340 262 E HA 0.050 4.412 4.350 0.020 0.000 0.194 262 E C 1.090 177.684 176.600 -0.010 0.000 0.996 262 E CA 0.576 56.970 56.400 -0.011 0.000 0.869 262 E CB 0.327 30.019 29.700 -0.013 0.000 0.835 262 E HN 0.721 nan 8.360 nan 0.000 0.493 263 G N 0.375 109.165 108.800 -0.015 0.000 3.432 263 G HA2 0.141 4.113 3.960 0.020 0.000 0.124 263 G HA3 0.141 4.113 3.960 0.020 0.000 0.124 263 G C -0.623 174.268 174.900 -0.016 0.000 1.237 263 G CA 0.190 45.283 45.100 -0.012 0.000 1.347 263 G HN 0.129 nan 8.290 nan 0.000 0.654 264 S N 0.823 116.502 115.700 -0.035 0.000 2.603 264 S HA 0.462 4.943 4.470 0.020 0.000 0.274 264 S C -2.194 172.332 174.600 -0.122 0.000 1.168 264 S CA -0.567 57.604 58.200 -0.050 0.000 0.963 264 S CB 1.601 64.790 63.200 -0.017 0.000 1.078 264 S HN 0.238 nan 8.310 nan 0.000 0.477 265 D N 3.181 123.459 120.400 -0.203 0.000 2.368 265 D HA 0.066 4.718 4.640 0.020 0.000 0.268 265 D C -0.240 175.667 176.300 -0.655 0.000 1.298 265 D CA 0.525 54.273 54.000 -0.419 0.000 0.938 265 D CB 0.460 40.949 40.800 -0.518 0.000 1.101 265 D HN 0.471 nan 8.370 nan 0.000 0.509 266 D N 2.533 122.689 120.400 -0.406 0.000 2.358 266 D HA -0.084 4.567 4.640 0.020 0.000 0.258 266 D C -0.036 176.061 176.300 -0.338 0.000 1.223 266 D CA -0.047 53.775 54.000 -0.296 0.000 0.886 266 D CB 0.404 41.134 40.800 -0.116 0.000 1.120 266 D HN 0.329 nan 8.370 nan 0.000 0.482 267 Y N 2.738 122.941 120.300 -0.162 0.000 2.481 267 Y HA 0.256 4.812 4.550 0.009 0.000 0.247 267 Y C 1.161 176.889 175.900 -0.287 0.000 1.151 267 Y CA -0.418 57.506 58.100 -0.294 0.000 1.238 267 Y CB 0.150 38.212 38.460 -0.664 0.000 1.179 267 Y HN 0.421 nan 8.280 nan 0.000 0.524 268 R N -0.329 120.141 120.500 -0.049 0.000 3.416 268 R HA -0.248 4.104 4.340 0.020 0.000 0.263 268 R C -1.039 175.280 176.300 0.032 0.000 1.053 268 R CA 0.121 56.230 56.100 0.015 0.000 0.705 268 R CB -2.322 28.019 30.300 0.069 0.000 1.124 268 R HN 0.232 nan 8.270 nan 0.000 0.444 269 Y N 0.761 120.997 120.300 -0.106 0.000 2.987 269 Y HA -0.017 4.550 4.550 0.028 0.000 0.339 269 Y C 0.765 176.629 175.900 -0.061 0.000 1.272 269 Y CA 1.454 59.394 58.100 -0.268 0.000 1.562 269 Y CB 0.150 38.060 38.460 -0.917 0.000 1.253 269 Y HN 0.248 nan 8.280 nan 0.000 0.604 270 F N 3.658 123.620 119.950 0.020 0.000 2.669 270 F HA 0.495 5.031 4.527 0.016 0.000 0.315 270 F C -3.255 172.560 175.800 0.025 0.000 1.109 270 F CA -2.711 55.293 58.000 0.006 0.000 1.028 270 F CB 1.651 40.630 39.000 -0.034 0.000 1.287 270 F HN 0.170 nan 8.300 nan 0.000 0.452 271 P HA -0.056 nan 4.420 nan 0.000 0.258 271 P C -0.449 176.875 177.300 0.040 0.000 1.187 271 P CA 0.391 63.570 63.100 0.131 0.000 0.767 271 P CB 1.048 32.865 31.700 0.195 0.000 0.770 272 E N 7.747 127.884 120.200 -0.105 0.000 2.491 272 E HA -0.049 4.313 4.350 0.020 0.000 0.250 272 E C -1.239 175.371 176.600 0.016 0.000 1.061 272 E CA -1.257 55.057 56.400 -0.143 0.000 0.942 272 E CB 0.124 29.757 29.700 -0.112 0.000 0.957 272 E HN 0.356 nan 8.360 nan 0.000 0.480 273 P HA -0.114 nan 4.420 nan 0.000 0.216 273 P C 0.288 177.614 177.300 0.043 0.000 1.153 273 P CA 0.809 63.962 63.100 0.088 0.000 0.844 273 P CB 0.253 32.021 31.700 0.113 0.000 0.787 274 D N 0.032 120.441 120.400 0.014 0.000 2.393 274 D HA -0.044 4.608 4.640 0.020 0.000 0.220 274 D C 0.761 177.051 176.300 -0.016 0.000 0.974 274 D CA 0.912 54.911 54.000 -0.002 0.000 0.931 274 D CB -0.085 40.707 40.800 -0.012 0.000 0.889 274 D HN 0.337 nan 8.370 nan 0.000 0.512 275 I N 0.857 121.419 120.570 -0.013 0.000 2.448 275 I HA 0.066 4.248 4.170 0.020 0.000 0.281 275 I C 0.132 176.290 176.117 0.068 0.000 1.027 275 I CA -0.727 60.566 61.300 -0.012 0.000 1.111 275 I CB 2.545 40.471 38.000 -0.122 0.000 1.236 275 I HN -0.334 nan 8.210 nan 0.000 0.452 276 V N 8.939 128.899 119.914 0.076 0.000 3.061 276 V HA 0.048 4.180 4.120 0.020 0.000 0.306 276 V C -1.859 174.336 176.094 0.168 0.000 1.118 276 V CA -0.529 61.836 62.300 0.107 0.000 1.231 276 V CB 0.786 32.664 31.823 0.093 0.000 0.956 276 V HN 0.535 nan 8.190 nan 0.000 0.499 277 P HA 0.303 nan 4.420 nan 0.000 0.275 277 P C -0.970 176.485 177.300 0.258 0.000 1.228 277 P CA -0.127 63.104 63.100 0.218 0.000 0.786 277 P CB 0.421 32.227 31.700 0.176 0.000 0.927 278 L N 2.831 124.230 121.223 0.293 0.000 2.312 278 L HA 0.359 4.710 4.340 0.020 0.000 0.281 278 L C -0.245 176.826 176.870 0.335 0.000 1.070 278 L CA -0.535 54.512 54.840 0.345 0.000 0.805 278 L CB 0.331 42.581 42.059 0.318 0.000 1.174 278 L HN 0.387 nan 8.230 nan 0.000 0.434 279 Y N 4.248 124.722 120.300 0.290 0.000 2.447 279 Y HA 0.450 5.012 4.550 0.018 0.000 0.325 279 Y C -0.104 176.012 175.900 0.359 0.000 0.976 279 Y CA -0.792 57.443 58.100 0.226 0.000 1.280 279 Y CB 0.816 39.381 38.460 0.176 0.000 1.104 279 Y HN 0.404 nan 8.280 nan 0.000 0.486 280 I N 7.327 127.778 120.570 -0.199 0.000 2.270 280 I HA 0.038 4.220 4.170 0.020 0.000 0.300 280 I C 0.245 176.243 176.117 -0.198 0.000 1.186 280 I CA -0.288 60.925 61.300 -0.145 0.000 1.431 280 I CB -0.530 37.151 38.000 -0.533 0.000 1.485 280 I HN 0.593 nan 8.210 nan 0.000 0.650 281 D N 3.767 124.193 120.400 0.044 0.000 2.335 281 D HA -0.101 4.550 4.640 0.020 0.000 0.236 281 D C 0.388 176.733 176.300 0.074 0.000 1.297 281 D CA -0.270 53.753 54.000 0.038 0.000 0.906 281 D CB 1.271 42.207 40.800 0.226 0.000 1.164 281 D HN 0.300 nan 8.370 nan 0.000 0.469 282 D N 0.246 120.686 120.400 0.066 0.000 2.117 282 D HA -0.111 4.541 4.640 0.020 0.000 0.197 282 D C 2.018 178.377 176.300 0.098 0.000 0.987 282 D CA 1.880 55.915 54.000 0.058 0.000 0.829 282 D CB -0.572 40.259 40.800 0.051 0.000 0.961 282 D HN 0.589 nan 8.370 nan 0.000 0.460 283 A N 0.370 123.262 122.820 0.119 0.000 2.019 283 A HA -0.177 4.154 4.320 0.020 0.000 0.219 283 A C 2.015 179.714 177.584 0.190 0.000 1.164 283 A CA 0.907 53.016 52.037 0.120 0.000 0.644 283 A CB -0.829 18.224 19.000 0.089 0.000 0.805 283 A HN 0.317 nan 8.150 nan 0.000 0.449 284 W N 1.172 122.475 121.300 0.004 0.000 2.408 284 W HA -0.079 4.593 4.660 0.019 0.000 0.311 284 W C 1.894 178.414 176.519 0.002 0.000 1.190 284 W CA 1.638 58.987 57.345 0.006 0.000 1.321 284 W CB -0.619 28.839 29.460 -0.004 0.000 1.143 284 W HN 0.356 nan 8.180 nan 0.000 0.501 285 K N -0.175 120.332 120.400 0.178 0.000 2.113 285 K HA -0.223 4.109 4.320 0.020 0.000 0.208 285 K C 1.828 178.467 176.600 0.064 0.000 1.047 285 K CA 1.628 57.930 56.287 0.025 0.000 0.928 285 K CB -0.371 32.112 32.500 -0.029 0.000 0.716 285 K HN 0.016 nan 8.250 nan 0.000 0.446 286 E N 1.120 121.373 120.200 0.089 0.000 2.017 286 E HA -0.137 4.225 4.350 0.020 0.000 0.193 286 E C 2.070 178.723 176.600 0.087 0.000 0.997 286 E CA 1.055 57.498 56.400 0.071 0.000 0.804 286 E CB -0.126 29.614 29.700 0.066 0.000 0.757 286 E HN 0.229 nan 8.360 nan 0.000 0.448 287 R N 0.144 120.717 120.500 0.121 0.000 2.168 287 R HA -0.213 4.139 4.340 0.020 0.000 0.242 287 R C 2.462 178.835 176.300 0.122 0.000 1.123 287 R CA 2.518 58.691 56.100 0.122 0.000 0.928 287 R CB -1.097 29.298 30.300 0.159 0.000 0.873 287 R HN 0.246 nan 8.270 nan 0.000 0.434 288 V N -0.851 119.159 119.914 0.161 0.000 2.913 288 V HA -0.133 3.999 4.120 0.020 0.000 0.260 288 V C 2.203 178.334 176.094 0.062 0.000 1.098 288 V CA 1.772 64.147 62.300 0.126 0.000 1.121 288 V CB -0.603 31.300 31.823 0.135 0.000 0.714 288 V HN 0.178 nan 8.190 nan 0.000 0.487 289 R N 1.076 121.606 120.500 0.051 0.000 2.061 289 R HA -0.121 4.231 4.340 0.020 0.000 0.230 289 R C 2.441 178.753 176.300 0.021 0.000 1.140 289 R CA 1.954 58.067 56.100 0.021 0.000 0.940 289 R CB -0.901 29.411 30.300 0.021 0.000 0.839 289 R HN 0.575 nan 8.270 nan 0.000 0.429 290 Q N 0.560 120.379 119.800 0.032 0.000 2.561 290 Q HA -0.092 4.260 4.340 0.020 0.000 0.217 290 Q C 0.348 176.364 176.000 0.028 0.000 0.980 290 Q CA 1.689 57.509 55.803 0.028 0.000 0.927 290 Q CB -0.020 28.738 28.738 0.033 0.000 0.980 290 Q HN 0.595 nan 8.270 nan 0.000 0.525 291 T N -2.977 111.596 114.554 0.030 0.000 3.086 291 T HA 0.277 4.639 4.350 0.020 0.000 0.250 291 T C 0.841 175.541 174.700 0.000 0.000 1.074 291 T CA -0.326 61.789 62.100 0.025 0.000 0.988 291 T CB -0.147 68.749 68.868 0.047 0.000 0.988 291 T HN 0.155 nan 8.240 nan 0.000 0.530 292 I N 4.408 124.976 120.570 -0.004 0.000 2.322 292 I HA 0.321 4.503 4.170 0.020 0.000 0.292 292 I C -1.781 174.338 176.117 0.004 0.000 1.060 292 I CA -2.313 58.978 61.300 -0.015 0.000 1.309 292 I CB 0.434 38.417 38.000 -0.029 0.000 1.415 292 I HN 0.069 nan 8.210 nan 0.000 0.492 293 P HA 0.047 nan 4.420 nan 0.000 0.273 293 P C -0.325 177.018 177.300 0.071 0.000 1.250 293 P CA -0.495 62.637 63.100 0.053 0.000 0.793 293 P CB 0.674 32.414 31.700 0.067 0.000 1.011 294 E N 0.638 120.885 120.200 0.079 0.000 2.498 294 E HA 0.060 4.422 4.350 0.020 0.000 0.252 294 E C -0.117 176.516 176.600 0.055 0.000 1.025 294 E CA -0.171 56.261 56.400 0.055 0.000 0.938 294 E CB -0.105 29.635 29.700 0.067 0.000 0.947 294 E HN 0.270 nan 8.360 nan 0.000 0.478 295 L N 6.303 127.484 121.223 -0.071 0.000 2.452 295 L HA 0.073 4.425 4.340 0.020 0.000 0.267 295 L C -1.405 175.251 176.870 -0.357 0.000 1.188 295 L CA -1.558 53.116 54.840 -0.276 0.000 0.821 295 L CB 0.022 41.923 42.059 -0.263 0.000 1.102 295 L HN 0.497 nan 8.230 nan 0.000 0.470 296 P HA -0.253 nan 4.420 nan 0.000 0.216 296 P C 0.831 177.961 177.300 -0.283 0.000 1.151 296 P CA 1.561 64.374 63.100 -0.478 0.000 0.953 296 P CB 0.129 31.505 31.700 -0.539 0.000 0.789 297 D N -1.049 119.212 120.400 -0.232 0.000 2.149 297 D HA -0.207 4.445 4.640 0.020 0.000 0.194 297 D C 1.935 178.160 176.300 -0.125 0.000 1.001 297 D CA 1.138 55.047 54.000 -0.152 0.000 0.849 297 D CB -0.700 40.029 40.800 -0.117 0.000 0.939 297 D HN 0.371 nan 8.370 nan 0.000 0.449 298 E N 0.115 120.242 120.200 -0.121 0.000 2.106 298 E HA -0.121 4.241 4.350 0.020 0.000 0.192 298 E C 2.125 178.680 176.600 -0.075 0.000 0.984 298 E CA 0.535 56.891 56.400 -0.073 0.000 0.806 298 E CB 0.212 29.881 29.700 -0.052 0.000 0.750 298 E HN 0.230 nan 8.360 nan 0.000 0.458 299 R N 0.513 120.931 120.500 -0.136 0.000 2.061 299 R HA -0.062 4.289 4.340 0.020 0.000 0.230 299 R C 2.544 178.594 176.300 -0.417 0.000 1.140 299 R CA 1.232 57.200 56.100 -0.220 0.000 0.940 299 R CB -0.160 29.976 30.300 -0.273 0.000 0.839 299 R HN -0.006 nan 8.270 nan 0.000 0.429 300 K N 0.645 120.786 120.400 -0.432 0.000 2.034 300 K HA -0.223 4.108 4.320 0.020 0.000 0.214 300 K C 2.250 178.787 176.600 -0.106 0.000 1.051 300 K CA 1.732 57.817 56.287 -0.336 0.000 0.931 300 K CB -0.415 31.968 32.500 -0.194 0.000 0.715 300 K HN 0.193 nan 8.250 nan 0.000 0.446 301 A N 2.081 124.863 122.820 -0.063 0.000 1.884 301 A HA -0.275 4.057 4.320 0.020 0.000 0.219 301 A C 2.041 179.665 177.584 0.066 0.000 1.197 301 A CA 2.027 54.066 52.037 0.004 0.000 0.637 301 A CB -0.523 18.475 19.000 -0.004 0.000 0.827 301 A HN 0.272 nan 8.150 nan 0.000 0.450 302 K N -1.494 118.958 120.400 0.088 0.000 1.988 302 K HA -0.236 4.096 4.320 0.020 0.000 0.221 302 K C 1.932 178.711 176.600 0.298 0.000 1.053 302 K CA 2.081 58.481 56.287 0.188 0.000 0.959 302 K CB -0.684 31.966 32.500 0.251 0.000 0.728 302 K HN 0.545 nan 8.250 nan 0.000 0.447 303 Y N 1.106 121.456 120.300 0.084 0.000 2.030 303 Y HA -0.275 4.287 4.550 0.020 0.000 0.272 303 Y C 2.525 178.468 175.900 0.071 0.000 1.185 303 Y CA 0.828 58.987 58.100 0.099 0.000 1.120 303 Y CB -1.301 37.188 38.460 0.049 0.000 0.955 303 Y HN -0.145 nan 8.280 nan 0.000 0.495 304 V N 0.668 120.718 119.914 0.228 0.000 2.343 304 V HA -0.261 3.871 4.120 0.020 0.000 0.247 304 V C 1.196 177.352 176.094 0.104 0.000 1.051 304 V CA 2.205 64.585 62.300 0.133 0.000 1.036 304 V CB -0.450 31.424 31.823 0.084 0.000 0.654 304 V HN 0.498 nan 8.190 nan 0.000 0.451 305 N N -0.953 117.807 118.700 0.100 0.000 2.275 305 N HA 0.167 4.919 4.740 0.020 0.000 0.236 305 N C 0.896 176.451 175.510 0.075 0.000 1.154 305 N CA 0.115 53.210 53.050 0.074 0.000 0.866 305 N CB 1.355 39.876 38.487 0.056 0.000 1.093 305 N HN 0.579 nan 8.380 nan 0.000 0.515 306 E N -0.372 119.884 120.200 0.094 0.000 2.661 306 E HA 0.263 4.625 4.350 0.020 0.000 0.202 306 E C 0.810 177.453 176.600 0.071 0.000 0.911 306 E CA 0.050 56.497 56.400 0.079 0.000 1.581 306 E CB 0.660 30.416 29.700 0.093 0.000 1.667 306 E HN 0.046 nan 8.360 nan 0.000 0.911 307 L N 0.616 121.893 121.223 0.090 0.000 2.628 307 L HA 0.332 4.684 4.340 0.020 0.000 0.229 307 L C 0.729 177.642 176.870 0.073 0.000 1.137 307 L CA 0.228 55.109 54.840 0.068 0.000 0.909 307 L CB 0.485 42.582 42.059 0.064 0.000 1.137 307 L HN 0.217 nan 8.230 nan 0.000 0.470 308 G N 2.028 110.873 108.800 0.076 0.000 2.370 308 G HA2 -0.281 3.691 3.960 0.020 0.000 0.293 308 G HA3 -0.281 3.691 3.960 0.020 0.000 0.293 308 G C -0.623 174.324 174.900 0.079 0.000 0.992 308 G CA 0.303 45.444 45.100 0.068 0.000 1.247 308 G HN 0.223 nan 8.290 nan 0.000 0.505 309 L N 0.973 122.255 121.223 0.098 0.000 2.333 309 L HA 0.865 5.217 4.340 0.020 0.000 0.269 309 L C -2.162 174.767 176.870 0.098 0.000 1.010 309 L CA -2.460 52.442 54.840 0.103 0.000 0.818 309 L CB 1.754 43.886 42.059 0.123 0.000 1.306 309 L HN -0.013 nan 8.230 nan 0.000 0.430 310 P HA 0.196 nan 4.420 nan 0.000 0.271 310 P C -0.219 177.149 177.300 0.112 0.000 1.216 310 P CA -0.017 63.143 63.100 0.100 0.000 0.771 310 P CB 1.114 32.882 31.700 0.114 0.000 0.864 311 A N 3.286 126.166 122.820 0.100 0.000 1.917 311 A HA -0.269 4.063 4.320 0.020 0.000 0.219 311 A C 2.017 179.661 177.584 0.100 0.000 1.182 311 A CA 1.682 53.769 52.037 0.083 0.000 0.633 311 A CB -1.864 17.171 19.000 0.058 0.000 0.819 311 A HN 0.682 nan 8.150 nan 0.000 0.448 312 Y N 1.160 121.476 120.300 0.025 0.000 2.128 312 Y HA -0.253 4.309 4.550 0.020 0.000 0.284 312 Y C 1.872 177.822 175.900 0.082 0.000 1.154 312 Y CA 2.164 60.289 58.100 0.041 0.000 1.149 312 Y CB -0.450 38.020 38.460 0.017 0.000 0.976 312 Y HN 0.402 nan 8.280 nan 0.000 0.505 313 D N 0.358 120.820 120.400 0.103 0.000 2.087 313 D HA -0.236 4.416 4.640 0.020 0.000 0.192 313 D C 2.355 178.604 176.300 -0.085 0.000 0.993 313 D CA 1.992 55.988 54.000 -0.006 0.000 0.828 313 D CB -0.743 40.099 40.800 0.071 0.000 0.968 313 D HN 0.471 nan 8.370 nan 0.000 0.448 314 A N 0.022 122.849 122.820 0.011 0.000 1.997 314 A HA -0.301 4.030 4.320 0.020 0.000 0.221 314 A C 1.904 179.432 177.584 -0.093 0.000 1.172 314 A CA 2.225 54.279 52.037 0.028 0.000 0.645 314 A CB -0.884 18.148 19.000 0.054 0.000 0.813 314 A HN 0.390 nan 8.150 nan 0.000 0.454 315 H N -0.213 118.726 119.070 -0.218 0.000 2.524 315 H HA -0.081 4.486 4.556 0.019 0.000 0.301 315 H C 1.996 177.167 175.328 -0.262 0.000 1.033 315 H CA 2.206 58.100 56.048 -0.257 0.000 1.179 315 H CB -0.757 28.808 29.762 -0.329 0.000 1.446 315 H HN 0.039 nan 8.280 nan 0.000 0.617 316 V N 0.478 120.106 119.914 -0.475 0.000 2.242 316 V HA -0.337 3.795 4.120 0.020 0.000 0.257 316 V C 2.776 178.713 176.094 -0.261 0.000 1.073 316 V CA 2.157 64.217 62.300 -0.400 0.000 1.058 316 V CB -1.029 30.606 31.823 -0.314 0.000 0.664 316 V HN 0.391 nan 8.190 nan 0.000 0.451 317 L N 0.794 121.891 121.223 -0.210 0.000 2.351 317 L HA -0.115 4.237 4.340 0.020 0.000 0.220 317 L C 1.972 178.796 176.870 -0.078 0.000 1.127 317 L CA 2.537 57.285 54.840 -0.152 0.000 0.786 317 L CB -1.055 40.848 42.059 -0.260 0.000 0.914 317 L HN 0.783 nan 8.230 nan 0.000 0.443 318 T N -6.003 108.468 114.554 -0.138 0.000 3.296 318 T HA 0.230 4.591 4.350 0.020 0.000 0.285 318 T C 1.456 176.143 174.700 -0.022 0.000 1.014 318 T CA -0.247 61.820 62.100 -0.054 0.000 0.920 318 T CB -0.261 68.499 68.868 -0.181 0.000 1.143 318 T HN 0.097 nan 8.240 nan 0.000 0.522 319 L N 1.819 122.976 121.223 -0.110 0.000 2.044 319 L HA 0.144 4.496 4.340 0.020 0.000 0.205 319 L C 1.515 178.434 176.870 0.081 0.000 1.075 319 L CA 1.169 55.945 54.840 -0.106 0.000 0.747 319 L CB -0.345 41.610 42.059 -0.174 0.000 0.903 319 L HN 0.558 nan 8.230 nan 0.000 0.435 320 T N -4.066 110.514 114.554 0.044 0.000 2.824 320 T HA 0.186 4.548 4.350 0.020 0.000 0.282 320 T C 0.566 175.112 174.700 -0.258 0.000 0.993 320 T CA -0.840 61.246 62.100 -0.023 0.000 0.967 320 T CB 2.536 71.372 68.868 -0.053 0.000 0.960 320 T HN 0.039 nan 8.240 nan 0.000 0.441 321 K N 1.504 121.414 120.400 -0.816 0.000 2.059 321 K HA -0.274 4.058 4.320 0.020 0.000 0.212 321 K C 1.502 177.880 176.600 -0.370 0.000 1.050 321 K CA 2.217 57.859 56.287 -1.075 0.000 0.927 321 K CB -0.197 31.655 32.500 -1.081 0.000 0.714 321 K HN 0.690 nan 8.250 nan 0.000 0.447 322 E N 0.778 120.844 120.200 -0.223 0.000 2.037 322 E HA -0.282 4.080 4.350 0.020 0.000 0.214 322 E C 1.900 178.522 176.600 0.037 0.000 1.041 322 E CA 2.191 58.553 56.400 -0.063 0.000 0.872 322 E CB -0.447 29.227 29.700 -0.043 0.000 0.785 322 E HN 0.418 nan 8.360 nan 0.000 0.476 323 M N 0.235 119.851 119.600 0.026 0.000 2.255 323 M HA -0.305 4.186 4.480 0.020 0.000 0.260 323 M C 2.331 178.754 176.300 0.205 0.000 1.069 323 M CA 2.552 57.909 55.300 0.094 0.000 1.089 323 M CB -0.524 32.093 32.600 0.027 0.000 1.269 323 M HN 0.173 nan 8.290 nan 0.000 0.434 324 S N 0.239 116.024 115.700 0.143 0.000 2.426 324 S HA -0.315 4.166 4.470 0.020 0.000 0.253 324 S C 1.536 176.343 174.600 0.345 0.000 1.104 324 S CA 2.400 60.756 58.200 0.259 0.000 1.158 324 S CB -0.878 62.419 63.200 0.161 0.000 1.043 324 S HN 0.670 nan 8.310 nan 0.000 0.443 325 D N -0.207 120.309 120.400 0.193 0.000 2.087 325 D HA -0.083 4.569 4.640 0.020 0.000 0.192 325 D C 1.616 178.042 176.300 0.210 0.000 0.993 325 D CA 1.316 55.414 54.000 0.165 0.000 0.828 325 D CB -0.771 40.072 40.800 0.071 0.000 0.968 325 D HN 0.491 nan 8.370 nan 0.000 0.448 326 F N 0.744 120.747 119.950 0.089 0.000 2.115 326 F HA -0.279 4.259 4.527 0.019 0.000 0.300 326 F C 2.134 178.002 175.800 0.113 0.000 1.092 326 F CA 1.290 59.338 58.000 0.081 0.000 1.245 326 F CB -0.561 38.485 39.000 0.077 0.000 0.995 326 F HN -0.057 nan 8.300 nan 0.000 0.481 327 F N 1.280 121.427 119.950 0.329 0.000 2.010 327 F HA -0.215 4.323 4.527 0.019 0.000 0.296 327 F C 2.411 178.261 175.800 0.083 0.000 1.146 327 F CA 2.367 60.489 58.000 0.203 0.000 1.181 327 F CB -1.133 37.960 39.000 0.155 0.000 0.965 327 F HN 0.027 nan 8.300 nan 0.000 0.480 328 E N -0.263 119.931 120.200 -0.010 0.000 2.187 328 E HA -0.227 4.134 4.350 0.020 0.000 0.199 328 E C 2.290 178.772 176.600 -0.197 0.000 1.004 328 E CA 1.589 57.881 56.400 -0.179 0.000 0.813 328 E CB -0.236 29.538 29.700 0.123 0.000 0.736 328 E HN 0.414 nan 8.360 nan 0.000 0.468 329 S N -0.340 115.288 115.700 -0.120 0.000 2.348 329 S HA -0.082 4.400 4.470 0.020 0.000 0.219 329 S C 2.066 176.614 174.600 -0.086 0.000 1.033 329 S CA 1.183 59.319 58.200 -0.106 0.000 0.974 329 S CB -0.197 62.927 63.200 -0.126 0.000 0.868 329 S HN 0.284 nan 8.310 nan 0.000 0.459 330 T N 3.693 118.156 114.554 -0.152 0.000 2.721 330 T HA -0.152 4.210 4.350 0.020 0.000 0.268 330 T C 1.830 176.469 174.700 -0.101 0.000 1.038 330 T CA 1.697 63.728 62.100 -0.113 0.000 1.145 330 T CB -0.702 68.155 68.868 -0.018 0.000 0.858 330 T HN 0.679 nan 8.240 nan 0.000 0.459 331 I N 0.796 121.216 120.570 -0.249 0.000 2.716 331 I HA 0.047 4.229 4.170 0.020 0.000 0.259 331 I C 2.171 178.195 176.117 -0.155 0.000 1.172 331 I CA 1.040 62.191 61.300 -0.249 0.000 1.478 331 I CB -0.585 37.138 38.000 -0.462 0.000 1.104 331 I HN 0.263 nan 8.210 nan 0.000 0.439 332 E N 0.090 120.200 120.200 -0.151 0.000 2.494 332 E HA -0.105 4.257 4.350 0.020 0.000 0.193 332 E C 1.116 177.617 176.600 -0.166 0.000 1.074 332 E CA 0.287 56.600 56.400 -0.145 0.000 0.867 332 E CB -0.408 29.199 29.700 -0.154 0.000 0.924 332 E HN 0.606 nan 8.360 nan 0.000 0.502 333 H N -0.343 118.652 119.070 -0.126 0.000 2.594 333 H HA 0.182 4.749 4.556 0.019 0.000 0.279 333 H C 1.190 176.466 175.328 -0.086 0.000 1.042 333 H CA 0.748 56.732 56.048 -0.107 0.000 1.177 333 H CB 1.382 31.069 29.762 -0.125 0.000 1.524 333 H HN 0.495 nan 8.280 nan 0.000 0.537 334 G N 0.617 109.424 108.800 0.012 0.000 2.279 334 G HA2 -0.275 3.697 3.960 0.020 0.000 0.223 334 G HA3 -0.275 3.697 3.960 0.020 0.000 0.223 334 G C 0.699 175.596 174.900 -0.006 0.000 1.015 334 G CA 0.057 45.156 45.100 -0.002 0.000 0.621 334 G HN 0.613 nan 8.290 nan 0.000 0.506 335 A N 0.601 123.418 122.820 -0.004 0.000 2.561 335 A HA 0.440 4.772 4.320 0.020 0.000 0.234 335 A C 0.443 178.026 177.584 -0.002 0.000 1.055 335 A CA 1.142 53.176 52.037 -0.005 0.000 0.756 335 A CB -0.089 18.904 19.000 -0.011 0.000 0.986 335 A HN 0.948 nan 8.150 nan 0.000 0.505 336 D N 1.554 121.972 120.400 0.030 0.000 2.472 336 D HA 0.180 4.832 4.640 0.020 0.000 0.237 336 D C 1.267 177.600 176.300 0.054 0.000 1.141 336 D CA 0.318 54.345 54.000 0.044 0.000 0.875 336 D CB 0.701 41.544 40.800 0.072 0.000 1.192 336 D HN 0.196 nan 8.370 nan 0.000 0.450 337 V N 3.723 123.663 119.914 0.044 0.000 2.214 337 V HA -0.246 3.886 4.120 0.020 0.000 0.245 337 V C 2.300 178.494 176.094 0.167 0.000 1.047 337 V CA 2.081 64.425 62.300 0.072 0.000 0.998 337 V CB -0.883 30.979 31.823 0.065 0.000 0.633 337 V HN 0.644 nan 8.190 nan 0.000 0.446 338 K N 0.132 120.612 120.400 0.133 0.000 2.103 338 K HA -0.140 4.192 4.320 0.020 0.000 0.207 338 K C 1.950 178.640 176.600 0.151 0.000 1.048 338 K CA 1.519 57.886 56.287 0.133 0.000 0.930 338 K CB -0.581 31.972 32.500 0.088 0.000 0.716 338 K HN 0.239 nan 8.250 nan 0.000 0.444 339 L N 0.821 122.142 121.223 0.162 0.000 2.083 339 L HA -0.149 4.203 4.340 0.020 0.000 0.209 339 L C 2.013 179.097 176.870 0.358 0.000 1.083 339 L CA 2.008 56.988 54.840 0.234 0.000 0.752 339 L CB -1.471 40.730 42.059 0.238 0.000 0.899 339 L HN 0.344 nan 8.230 nan 0.000 0.433 340 T N -1.134 113.597 114.554 0.295 0.000 2.674 340 T HA -0.187 4.175 4.350 0.020 0.000 0.265 340 T C 2.154 177.085 174.700 0.386 0.000 1.039 340 T CA 1.748 64.051 62.100 0.338 0.000 1.150 340 T CB -0.194 68.824 68.868 0.250 0.000 0.864 340 T HN 0.274 nan 8.240 nan 0.000 0.427 341 S N 1.351 117.263 115.700 0.354 0.000 2.374 341 S HA -0.192 4.290 4.470 0.020 0.000 0.227 341 S C 2.023 176.693 174.600 0.116 0.000 1.037 341 S CA 1.318 59.640 58.200 0.203 0.000 1.024 341 S CB -0.533 62.740 63.200 0.122 0.000 0.861 341 S HN 0.424 nan 8.310 nan 0.000 0.456 342 N N -0.415 118.332 118.700 0.080 0.000 2.270 342 N HA -0.048 4.703 4.740 0.020 0.000 0.181 342 N C 1.282 176.701 175.510 -0.152 0.000 1.016 342 N CA 1.016 54.026 53.050 -0.067 0.000 0.870 342 N CB -0.423 37.965 38.487 -0.165 0.000 0.979 342 N HN 0.603 nan 8.380 nan 0.000 0.431 343 W N 1.328 122.619 121.300 -0.015 0.000 2.476 343 W HA 0.173 4.845 4.660 0.019 0.000 0.281 343 W C 2.085 178.545 176.519 -0.099 0.000 1.230 343 W CA 0.044 57.335 57.345 -0.090 0.000 1.287 343 W CB -0.217 29.211 29.460 -0.055 0.000 1.108 343 W HN -0.021 nan 8.180 nan 0.000 0.567 344 L N -0.766 120.574 121.223 0.196 0.000 2.068 344 L HA -0.162 4.190 4.340 0.020 0.000 0.204 344 L C 2.298 179.186 176.870 0.029 0.000 1.076 344 L CA 1.095 55.993 54.840 0.097 0.000 0.753 344 L CB -0.693 41.443 42.059 0.130 0.000 0.910 344 L HN 0.006 nan 8.230 nan 0.000 0.439 345 M N -0.597 119.014 119.600 0.018 0.000 2.099 345 M HA -0.084 4.408 4.480 0.020 0.000 0.262 345 M C 1.868 178.150 176.300 -0.029 0.000 1.067 345 M CA 1.809 57.108 55.300 -0.002 0.000 1.124 345 M CB -0.640 31.971 32.600 0.019 0.000 1.353 345 M HN 0.327 nan 8.290 nan 0.000 0.410 346 G N -0.659 108.088 108.800 -0.087 0.000 3.056 346 G HA2 0.259 4.231 3.960 0.020 0.000 0.175 346 G HA3 0.259 4.231 3.960 0.020 0.000 0.175 346 G C 1.161 175.967 174.900 -0.157 0.000 1.894 346 G CA 0.434 45.440 45.100 -0.156 0.000 0.910 346 G HN 0.444 nan 8.290 nan 0.000 0.462 347 G N 0.062 108.692 108.800 -0.284 0.000 2.859 347 G HA2 -0.344 3.628 3.960 0.020 0.000 0.236 347 G HA3 -0.344 3.628 3.960 0.020 0.000 0.236 347 G C 1.773 176.520 174.900 -0.255 0.000 1.207 347 G CA 2.750 47.664 45.100 -0.310 0.000 0.769 347 G HN 0.557 nan 8.290 nan 0.000 0.674 348 V N 1.402 121.173 119.914 -0.238 0.000 2.222 348 V HA -0.329 3.803 4.120 0.020 0.000 0.252 348 V C 2.698 178.880 176.094 0.146 0.000 1.060 348 V CA 2.382 64.740 62.300 0.097 0.000 1.027 348 V CB -0.733 31.137 31.823 0.079 0.000 0.644 348 V HN 0.517 nan 8.190 nan 0.000 0.448 349 N N -0.505 118.228 118.700 0.056 0.000 2.091 349 N HA -0.231 4.521 4.740 0.020 0.000 0.193 349 N C 1.847 177.410 175.510 0.087 0.000 1.021 349 N CA 1.996 55.080 53.050 0.056 0.000 0.862 349 N CB -0.147 38.351 38.487 0.020 0.000 1.018 349 N HN 0.581 nan 8.380 nan 0.000 0.429 350 E N -0.076 120.170 120.200 0.077 0.000 2.033 350 E HA -0.195 4.167 4.350 0.020 0.000 0.199 350 E C 1.779 178.466 176.600 0.144 0.000 1.011 350 E CA 1.165 57.614 56.400 0.082 0.000 0.815 350 E CB -0.641 29.093 29.700 0.057 0.000 0.755 350 E HN 0.423 nan 8.360 nan 0.000 0.451 351 Y N 0.603 120.981 120.300 0.129 0.000 2.040 351 Y HA -0.313 4.249 4.550 0.019 0.000 0.275 351 Y C 1.937 177.894 175.900 0.095 0.000 1.171 351 Y CA 1.706 59.909 58.100 0.172 0.000 1.123 351 Y CB -0.526 38.140 38.460 0.344 0.000 0.963 351 Y HN 0.038 nan 8.280 nan 0.000 0.493 352 L N 0.855 122.287 121.223 0.349 0.000 2.051 352 L HA -0.325 4.027 4.340 0.020 0.000 0.214 352 L C 2.174 179.092 176.870 0.079 0.000 1.076 352 L CA 1.909 56.867 54.840 0.197 0.000 0.758 352 L CB -1.235 40.900 42.059 0.128 0.000 0.890 352 L HN 0.360 nan 8.230 nan 0.000 0.433 353 N N 0.576 119.311 118.700 0.058 0.000 2.051 353 N HA -0.149 4.603 4.740 0.020 0.000 0.192 353 N C 1.167 176.670 175.510 -0.013 0.000 1.049 353 N CA 1.303 54.366 53.050 0.021 0.000 0.845 353 N CB -0.335 38.166 38.487 0.022 0.000 1.031 353 N HN 0.495 nan 8.380 nan 0.000 0.425 354 K N 0.948 121.325 120.400 -0.038 0.000 3.077 354 K HA 0.145 4.477 4.320 0.020 0.000 0.269 354 K C -0.040 176.485 176.600 -0.125 0.000 0.973 354 K CA 0.499 56.743 56.287 -0.071 0.000 1.162 354 K CB -0.403 32.056 32.500 -0.069 0.000 1.079 354 K HN 0.249 nan 8.250 nan 0.000 0.456 355 N N 0.230 118.869 118.700 -0.101 0.000 1.856 355 N HA -0.060 4.692 4.740 0.020 0.000 0.223 355 N C -0.920 174.570 175.510 -0.034 0.000 1.438 355 N CA -0.243 52.743 53.050 -0.106 0.000 0.693 355 N CB 0.510 38.865 38.487 -0.220 0.000 1.051 355 N HN 0.095 nan 8.380 nan 0.000 0.563 356 Q N 0.702 120.493 119.800 -0.015 0.000 2.388 356 Q HA -0.162 4.190 4.340 0.020 0.000 0.346 356 Q C -0.787 175.223 176.000 0.017 0.000 1.319 356 Q CA 0.881 56.686 55.803 0.005 0.000 1.023 356 Q CB -1.485 27.252 28.738 -0.001 0.000 1.247 356 Q HN 0.240 nan 8.270 nan 0.000 0.411 357 V N 0.447 120.385 119.914 0.040 0.000 2.769 357 V HA 0.307 4.439 4.120 0.020 0.000 0.312 357 V C 0.711 176.839 176.094 0.057 0.000 1.058 357 V CA -0.823 61.511 62.300 0.056 0.000 0.952 357 V CB 2.320 34.204 31.823 0.101 0.000 1.019 357 V HN 0.116 nan 8.190 nan 0.000 0.445 358 E N 2.444 122.667 120.200 0.039 0.000 2.354 358 E HA 0.109 4.471 4.350 0.020 0.000 0.269 358 E C 0.865 177.482 176.600 0.028 0.000 1.036 358 E CA -0.354 56.062 56.400 0.025 0.000 0.876 358 E CB 1.227 30.935 29.700 0.014 0.000 1.009 358 E HN 0.578 nan 8.360 nan 0.000 0.416 359 L N 3.306 124.533 121.223 0.007 0.000 2.263 359 L HA -0.197 4.154 4.340 0.020 0.000 0.216 359 L C 1.115 177.991 176.870 0.011 0.000 1.111 359 L CA 1.637 56.459 54.840 -0.031 0.000 0.773 359 L CB -0.138 41.863 42.059 -0.097 0.000 0.906 359 L HN 0.416 nan 8.230 nan 0.000 0.439 360 L N -1.014 120.234 121.223 0.043 0.000 2.607 360 L HA 0.106 4.457 4.340 0.020 0.000 0.228 360 L C 1.696 178.592 176.870 0.044 0.000 1.123 360 L CA 0.431 55.313 54.840 0.070 0.000 0.890 360 L CB -0.392 41.705 42.059 0.063 0.000 1.103 360 L HN 0.021 nan 8.230 nan 0.000 0.468 361 D N -0.747 119.673 120.400 0.034 0.000 2.360 361 D HA 0.036 4.688 4.640 0.020 0.000 0.210 361 D C 1.164 177.481 176.300 0.029 0.000 1.047 361 D CA 0.480 54.498 54.000 0.029 0.000 0.854 361 D CB 0.441 41.259 40.800 0.030 0.000 0.936 361 D HN 0.358 nan 8.370 nan 0.000 0.514 362 T N -1.426 113.140 114.554 0.020 0.000 2.754 362 T HA 0.184 4.546 4.350 0.020 0.000 0.286 362 T C 0.840 175.515 174.700 -0.043 0.000 0.997 362 T CA -0.490 61.598 62.100 -0.019 0.000 0.982 362 T CB 1.718 70.520 68.868 -0.109 0.000 1.027 362 T HN -0.282 nan 8.240 nan 0.000 0.529 363 K N 0.331 120.673 120.400 -0.096 0.000 2.500 363 K HA 0.339 4.670 4.320 0.020 0.000 0.206 363 K C 0.225 176.765 176.600 -0.099 0.000 1.034 363 K CA -0.425 55.813 56.287 -0.082 0.000 1.179 363 K CB -0.837 31.615 32.500 -0.080 0.000 0.884 363 K HN 0.643 nan 8.250 nan 0.000 0.493 364 L N -2.952 118.219 121.223 -0.088 0.000 2.334 364 L HA 0.694 5.046 4.340 0.020 0.000 0.270 364 L C -0.279 176.654 176.870 0.106 0.000 1.018 364 L CA -0.829 53.987 54.840 -0.040 0.000 0.811 364 L CB 1.884 43.888 42.059 -0.091 0.000 1.271 364 L HN -0.186 nan 8.230 nan 0.000 0.443 365 T N 0.017 114.583 114.554 0.021 0.000 2.907 365 T HA 0.517 4.879 4.350 0.020 0.000 0.292 365 T C -2.171 172.302 174.700 -0.379 0.000 1.043 365 T CA -1.778 60.236 62.100 -0.142 0.000 1.003 365 T CB 2.001 70.770 68.868 -0.165 0.000 1.084 365 T HN 0.545 nan 8.240 nan 0.000 0.483 366 P HA -0.131 nan 4.420 nan 0.000 0.218 366 P C 1.089 177.985 177.300 -0.673 0.000 1.150 366 P CA 1.158 63.772 63.100 -0.810 0.000 0.841 366 P CB 0.283 31.609 31.700 -0.624 0.000 0.784 367 E N -0.211 119.530 120.200 -0.765 0.000 2.008 367 E HA -0.168 4.194 4.350 0.020 0.000 0.191 367 E C 1.925 178.265 176.600 -0.433 0.000 0.986 367 E CA 1.126 56.970 56.400 -0.927 0.000 0.807 367 E CB -0.564 28.803 29.700 -0.555 0.000 0.766 367 E HN 0.272 nan 8.360 nan 0.000 0.450 368 N N 1.029 119.567 118.700 -0.269 0.000 2.348 368 N HA -0.200 4.551 4.740 0.020 0.000 0.185 368 N C 2.111 177.527 175.510 -0.156 0.000 1.019 368 N CA 0.844 53.789 53.050 -0.176 0.000 0.880 368 N CB -0.202 38.203 38.487 -0.137 0.000 0.965 368 N HN 0.174 nan 8.380 nan 0.000 0.437 369 L N 1.518 122.658 121.223 -0.137 0.000 2.022 369 L HA 0.123 4.475 4.340 0.020 0.000 0.204 369 L C 2.727 179.518 176.870 -0.132 0.000 1.076 369 L CA 1.830 56.624 54.840 -0.077 0.000 0.749 369 L CB -1.221 40.904 42.059 0.111 0.000 0.903 369 L HN 0.204 nan 8.230 nan 0.000 0.439 370 A N -0.054 122.677 122.820 -0.150 0.000 1.940 370 A HA -0.267 4.065 4.320 0.020 0.000 0.221 370 A C 2.346 179.864 177.584 -0.109 0.000 1.190 370 A CA 2.237 54.201 52.037 -0.120 0.000 0.647 370 A CB -1.897 17.022 19.000 -0.135 0.000 0.821 370 A HN 0.637 nan 8.150 nan 0.000 0.457 371 G N -1.047 107.674 108.800 -0.132 0.000 2.476 371 G HA2 -0.331 3.641 3.960 0.020 0.000 0.218 371 G HA3 -0.331 3.641 3.960 0.020 0.000 0.218 371 G C 1.653 176.496 174.900 -0.095 0.000 1.164 371 G CA 1.406 46.447 45.100 -0.099 0.000 0.768 371 G HN 0.532 nan 8.290 nan 0.000 0.560 372 M N 0.102 119.624 119.600 -0.130 0.000 2.132 372 M HA -0.026 4.466 4.480 0.020 0.000 0.263 372 M C 2.418 178.626 176.300 -0.154 0.000 1.065 372 M CA 1.216 56.425 55.300 -0.151 0.000 1.122 372 M CB -0.228 32.239 32.600 -0.221 0.000 1.365 372 M HN 0.118 nan 8.290 nan 0.000 0.411 373 I N 1.218 121.680 120.570 -0.181 0.000 2.118 373 I HA -0.336 3.846 4.170 0.020 0.000 0.241 373 I C 2.175 178.281 176.117 -0.018 0.000 1.070 373 I CA 1.726 62.961 61.300 -0.108 0.000 1.327 373 I CB -1.610 36.354 38.000 -0.061 0.000 1.034 373 I HN 0.344 nan 8.210 nan 0.000 0.405 374 K N 0.664 121.049 120.400 -0.025 0.000 2.044 374 K HA -0.164 4.168 4.320 0.020 0.000 0.210 374 K C 2.123 178.725 176.600 0.002 0.000 1.049 374 K CA 1.252 57.537 56.287 -0.004 0.000 0.927 374 K CB -0.425 32.068 32.500 -0.012 0.000 0.713 374 K HN 0.293 nan 8.250 nan 0.000 0.443 375 L N 0.828 122.044 121.223 -0.012 0.000 2.197 375 L HA -0.235 4.117 4.340 0.020 0.000 0.215 375 L C 2.297 179.179 176.870 0.020 0.000 1.095 375 L CA 1.185 56.024 54.840 -0.003 0.000 0.764 375 L CB -0.683 41.366 42.059 -0.016 0.000 0.897 375 L HN 0.248 nan 8.230 nan 0.000 0.436 376 I N -0.003 120.589 120.570 0.036 0.000 2.339 376 I HA -0.203 3.979 4.170 0.020 0.000 0.245 376 I C 2.442 178.598 176.117 0.065 0.000 1.096 376 I CA 0.980 62.324 61.300 0.073 0.000 1.408 376 I CB -0.223 37.859 38.000 0.136 0.000 1.092 376 I HN 0.337 nan 8.210 nan 0.000 0.423 377 E N 0.366 120.602 120.200 0.059 0.000 2.516 377 E HA -0.192 4.170 4.350 0.020 0.000 0.199 377 E C 1.013 177.633 176.600 0.033 0.000 1.069 377 E CA 0.663 57.092 56.400 0.050 0.000 0.876 377 E CB -0.109 29.620 29.700 0.048 0.000 0.843 377 E HN 0.405 nan 8.360 nan 0.000 0.530 378 D N -0.101 120.317 120.400 0.029 0.000 2.338 378 D HA 0.046 4.698 4.640 0.020 0.000 0.208 378 D C 1.453 177.766 176.300 0.022 0.000 0.997 378 D CA 1.274 55.286 54.000 0.020 0.000 0.880 378 D CB 0.713 41.521 40.800 0.013 0.000 0.980 378 D HN 0.375 nan 8.370 nan 0.000 0.509 379 G N 0.084 108.901 108.800 0.029 0.000 2.258 379 G HA2 -0.364 3.607 3.960 0.020 0.000 0.233 379 G HA3 -0.364 3.607 3.960 0.020 0.000 0.233 379 G C 1.354 176.270 174.900 0.027 0.000 1.006 379 G CA 1.154 46.271 45.100 0.029 0.000 0.620 379 G HN 0.381 nan 8.290 nan 0.000 0.511 380 T N -1.709 112.858 114.554 0.021 0.000 2.869 380 T HA 0.132 4.494 4.350 0.020 0.000 0.270 380 T C 1.089 175.802 174.700 0.022 0.000 1.082 380 T CA 2.010 64.120 62.100 0.017 0.000 1.123 380 T CB 0.118 68.992 68.868 0.010 0.000 0.856 380 T HN 1.092 nan 8.240 nan 0.000 0.499 381 M N 2.064 121.683 119.600 0.031 0.000 2.183 381 M HA 0.448 4.940 4.480 0.020 0.000 0.277 381 M C -0.517 175.819 176.300 0.060 0.000 0.995 381 M CA -0.667 54.657 55.300 0.041 0.000 0.969 381 M CB 2.039 34.660 32.600 0.036 0.000 1.659 381 M HN 0.218 nan 8.290 nan 0.000 0.462 382 S N 2.807 118.543 115.700 0.060 0.000 2.614 382 S HA 0.283 4.765 4.470 0.020 0.000 0.265 382 S C 0.692 175.351 174.600 0.098 0.000 1.303 382 S CA -0.271 57.969 58.200 0.068 0.000 1.000 382 S CB 1.315 64.546 63.200 0.052 0.000 0.935 382 S HN 0.782 nan 8.310 nan 0.000 0.551 383 S N 1.289 117.049 115.700 0.100 0.000 2.442 383 S HA -0.059 4.423 4.470 0.020 0.000 0.236 383 S C 1.835 176.504 174.600 0.115 0.000 1.007 383 S CA 0.686 58.964 58.200 0.129 0.000 0.965 383 S CB -0.271 62.974 63.200 0.075 0.000 0.773 383 S HN 0.601 nan 8.310 nan 0.000 0.504 384 K N 1.229 121.678 120.400 0.082 0.000 2.001 384 K HA 0.034 4.366 4.320 0.020 0.000 0.208 384 K C 1.827 178.481 176.600 0.090 0.000 1.048 384 K CA 0.970 57.300 56.287 0.072 0.000 0.932 384 K CB -0.663 31.868 32.500 0.051 0.000 0.715 384 K HN 0.321 nan 8.250 nan 0.000 0.437 385 I N 1.717 122.340 120.570 0.088 0.000 2.394 385 I HA -0.186 3.996 4.170 0.020 0.000 0.251 385 I C 2.385 178.576 176.117 0.122 0.000 1.136 385 I CA 0.951 62.303 61.300 0.087 0.000 1.425 385 I CB -0.816 37.222 38.000 0.065 0.000 1.079 385 I HN 0.078 nan 8.210 nan 0.000 0.425 386 A N 0.589 123.512 122.820 0.171 0.000 1.859 386 A HA -0.278 4.053 4.320 0.020 0.000 0.217 386 A C 2.278 180.057 177.584 0.325 0.000 1.198 386 A CA 1.902 54.098 52.037 0.265 0.000 0.629 386 A CB -0.675 18.606 19.000 0.470 0.000 0.830 386 A HN 0.394 nan 8.150 nan 0.000 0.446 387 K N -0.696 119.878 120.400 0.291 0.000 2.520 387 K HA -0.106 4.226 4.320 0.020 0.000 0.197 387 K C 1.596 178.331 176.600 0.224 0.000 1.043 387 K CA 1.008 57.450 56.287 0.259 0.000 0.944 387 K CB -0.004 32.588 32.500 0.154 0.000 0.770 387 K HN 0.353 nan 8.250 nan 0.000 0.480 388 K N 0.089 120.597 120.400 0.180 0.000 2.172 388 K HA -0.014 4.317 4.320 0.020 0.000 0.203 388 K C 2.215 178.889 176.600 0.124 0.000 1.040 388 K CA 0.990 57.357 56.287 0.134 0.000 0.974 388 K CB -0.217 32.338 32.500 0.091 0.000 0.857 388 K HN 0.080 nan 8.250 nan 0.000 0.464 389 V N -0.235 119.743 119.914 0.108 0.000 2.515 389 V HA -0.154 3.977 4.120 0.020 0.000 0.250 389 V C 2.171 178.289 176.094 0.039 0.000 1.058 389 V CA 1.244 63.575 62.300 0.052 0.000 1.064 389 V CB -0.940 30.895 31.823 0.019 0.000 0.675 389 V HN 0.088 nan 8.190 nan 0.000 0.461 390 F N 2.795 122.735 119.950 -0.016 0.000 2.031 390 F HA 0.066 4.605 4.527 0.019 0.000 0.295 390 F C 0.224 176.025 175.800 0.003 0.000 1.133 390 F CA 2.199 60.171 58.000 -0.047 0.000 1.188 390 F CB -1.657 37.357 39.000 0.023 0.000 0.974 390 F HN 0.206 nan 8.300 nan 0.000 0.473 391 P HA -0.239 nan 4.420 nan 0.000 0.220 391 P C 1.256 178.581 177.300 0.043 0.000 1.155 391 P CA 2.429 65.678 63.100 0.249 0.000 0.880 391 P CB 0.004 31.880 31.700 0.294 0.000 0.790 392 E N -1.120 119.066 120.200 -0.023 0.000 2.030 392 E HA -0.046 4.315 4.350 0.020 0.000 0.189 392 E C 1.912 178.407 176.600 -0.176 0.000 0.974 392 E CA 0.464 56.832 56.400 -0.053 0.000 0.807 392 E CB -1.214 28.474 29.700 -0.022 0.000 0.771 392 E HN 0.067 nan 8.360 nan 0.000 0.451 393 L N 0.170 121.255 121.223 -0.229 0.000 2.137 393 L HA -0.272 4.079 4.340 0.020 0.000 0.213 393 L C 1.872 178.474 176.870 -0.447 0.000 1.085 393 L CA 1.442 56.110 54.840 -0.286 0.000 0.760 393 L CB -0.386 41.512 42.059 -0.268 0.000 0.893 393 L HN 0.199 nan 8.230 nan 0.000 0.434 394 A N 0.288 122.641 122.820 -0.780 0.000 2.240 394 A HA 0.004 4.335 4.320 0.020 0.000 0.199 394 A C 1.151 178.366 177.584 -0.615 0.000 1.172 394 A CA 1.444 52.842 52.037 -1.065 0.000 0.807 394 A CB -1.189 16.728 19.000 -1.805 0.000 0.830 394 A HN 0.513 nan 8.150 nan 0.000 0.527 395 A N -1.777 120.732 122.820 -0.518 0.000 2.306 395 A HA 0.563 4.895 4.320 0.020 0.000 0.314 395 A C 0.333 177.881 177.584 -0.061 0.000 1.164 395 A CA -0.018 51.928 52.037 -0.151 0.000 0.822 395 A CB 0.034 19.099 19.000 0.107 0.000 1.130 395 A HN 0.629 nan 8.150 nan 0.000 0.496 396 K N 0.096 120.466 120.400 -0.049 0.000 3.239 396 K HA -0.150 4.181 4.320 0.020 0.000 0.270 396 K C 0.333 176.899 176.600 -0.056 0.000 1.049 396 K CA 0.769 57.036 56.287 -0.032 0.000 0.769 396 K CB -1.804 30.697 32.500 0.001 0.000 1.305 396 K HN 1.431 nan 8.250 nan 0.000 0.469 397 G N -1.717 107.031 108.800 -0.086 0.000 2.727 397 G HA2 0.711 4.683 3.960 0.020 0.000 0.289 397 G HA3 0.711 4.683 3.960 0.020 0.000 0.289 397 G C 0.356 175.202 174.900 -0.090 0.000 1.418 397 G CA -0.090 44.953 45.100 -0.096 0.000 0.818 397 G HN 0.222 nan 8.290 nan 0.000 0.486 398 G N -1.085 107.663 108.800 -0.087 0.000 2.327 398 G HA2 0.241 4.213 3.960 0.020 0.000 0.193 398 G HA3 0.241 4.213 3.960 0.020 0.000 0.193 398 G C 0.076 174.928 174.900 -0.080 0.000 1.535 398 G CA 0.347 45.401 45.100 -0.077 0.000 0.598 398 G HN 0.723 nan 8.290 nan 0.000 1.134 399 N N -0.298 118.356 118.700 -0.076 0.000 2.357 399 N HA 0.561 5.313 4.740 0.020 0.000 0.284 399 N C 1.023 176.487 175.510 -0.076 0.000 1.236 399 N CA 0.192 53.198 53.050 -0.073 0.000 0.774 399 N CB 2.121 40.575 38.487 -0.055 0.000 1.534 399 N HN 0.037 nan 8.380 nan 0.000 0.478 400 A N 2.484 125.258 122.820 -0.076 0.000 1.854 400 A HA -0.057 4.275 4.320 0.020 0.000 0.214 400 A C 1.602 179.156 177.584 -0.051 0.000 1.192 400 A CA 1.462 53.455 52.037 -0.073 0.000 0.611 400 A CB -0.301 18.651 19.000 -0.080 0.000 0.832 400 A HN 0.736 nan 8.150 nan 0.000 0.442 401 K N 0.355 120.731 120.400 -0.041 0.000 2.097 401 K HA -0.081 4.250 4.320 0.020 0.000 0.205 401 K C 2.033 178.618 176.600 -0.025 0.000 1.050 401 K CA 1.157 57.427 56.287 -0.028 0.000 0.938 401 K CB -0.337 32.149 32.500 -0.023 0.000 0.718 401 K HN 0.387 nan 8.250 nan 0.000 0.442 402 Q N 0.644 120.425 119.800 -0.030 0.000 2.182 402 Q HA -0.211 4.141 4.340 0.020 0.000 0.213 402 Q C 2.009 177.996 176.000 -0.022 0.000 1.000 402 Q CA 1.758 57.545 55.803 -0.027 0.000 0.889 402 Q CB -0.443 28.275 28.738 -0.034 0.000 0.932 402 Q HN 0.494 nan 8.270 nan 0.000 0.415 403 I N -0.368 120.188 120.570 -0.025 0.000 3.111 403 I HA -0.155 4.026 4.170 0.020 0.000 0.272 403 I C 2.060 178.174 176.117 -0.006 0.000 1.268 403 I CA 0.389 61.680 61.300 -0.016 0.000 1.467 403 I CB -0.321 37.669 38.000 -0.018 0.000 1.087 403 I HN 0.151 nan 8.210 nan 0.000 0.467 404 M N 0.071 119.666 119.600 -0.007 0.000 2.447 404 M HA -0.043 4.449 4.480 0.020 0.000 0.264 404 M C 1.981 178.280 176.300 -0.001 0.000 1.095 404 M CA 1.292 56.591 55.300 -0.001 0.000 1.125 404 M CB -0.248 32.351 32.600 -0.001 0.000 1.389 404 M HN 0.265 nan 8.290 nan 0.000 0.459 405 E N 0.358 120.555 120.200 -0.005 0.000 2.434 405 E HA -0.055 4.307 4.350 0.020 0.000 0.207 405 E C 0.356 176.953 176.600 -0.005 0.000 0.929 405 E CA 0.220 56.618 56.400 -0.004 0.000 1.001 405 E CB 0.537 30.233 29.700 -0.007 0.000 1.016 405 E HN 0.204 nan 8.360 nan 0.000 0.502 406 D N 0.639 121.035 120.400 -0.007 0.000 2.328 406 D HA 0.103 4.754 4.640 0.020 0.000 0.226 406 D C 0.084 176.382 176.300 -0.003 0.000 1.066 406 D CA 0.230 54.226 54.000 -0.007 0.000 0.861 406 D CB 0.233 41.026 40.800 -0.011 0.000 0.912 406 D HN 0.096 nan 8.370 nan 0.000 0.521 407 N N -1.191 117.509 118.700 -0.000 0.000 3.662 407 N HA 0.382 5.134 4.740 0.020 0.000 0.343 407 N C -0.950 174.563 175.510 0.005 0.000 1.583 407 N CA -0.394 52.658 53.050 0.004 0.000 0.710 407 N CB 1.173 39.663 38.487 0.006 0.000 2.746 407 N HN -0.083 nan 8.380 nan 0.000 0.577 408 G N 1.625 110.430 108.800 0.008 0.000 3.703 408 G HA2 0.488 4.459 3.960 0.020 0.000 0.311 408 G HA3 0.488 4.459 3.960 0.020 0.000 0.311 408 G C -1.678 173.228 174.900 0.010 0.000 1.430 408 G CA -0.090 45.014 45.100 0.008 0.000 0.785 408 G HN 0.257 nan 8.290 nan 0.000 0.491 409 L N 2.093 123.322 121.223 0.010 0.000 2.614 409 L HA 0.595 4.946 4.340 0.020 0.000 0.264 409 L C -1.268 175.610 176.870 0.012 0.000 0.940 409 L CA -0.671 54.177 54.840 0.013 0.000 0.903 409 L CB 1.990 44.060 42.059 0.018 0.000 1.306 409 L HN 0.341 nan 8.230 nan 0.000 0.410 410 V N 2.514 122.435 119.914 0.011 0.000 2.757 410 V HA 0.582 4.714 4.120 0.020 0.000 0.262 410 V C -0.426 175.675 176.094 0.011 0.000 0.971 410 V CA -0.461 61.845 62.300 0.010 0.000 0.906 410 V CB 1.044 32.870 31.823 0.006 0.000 1.056 410 V HN 0.955 nan 8.190 nan 0.000 0.489 411 Q N 0.000 119.809 119.800 0.014 0.000 2.315 411 Q HA 0.000 4.352 4.340 0.020 0.000 0.214 411 Q CA 0.000 55.812 55.803 0.014 0.000 1.022 411 Q CB 0.000 28.745 28.738 0.011 0.000 1.108 411 Q HN 0.000 nan 8.270 nan 0.000 0.481