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 3a4z_1_C DATA FIRST_RESID 2 DATA SEQUENCE ALTTTGTEQH DLFSGTFWQN PHPAYAALRA EDPVRKLALP DGPVWLLTRY DATA SEQUENCE ADVREAFVDP RLSKDWRHRL PEDQRADMPA TPTPMMILMD PPDHTRLRKL DATA SEQUENCE VGRSFTVRRM NELEPRITEI ADGLLAGLPT DGPVDLMREY AFQIPVQVIC DATA SEQUENCE ELLGLPAEDR DDFSAWSSVL VDDSPADDKN AAMGKLHGYL SDLLERKRTE DATA SEQUENCE PDDALLSSLL AVSDMDGDRL SQEELVAMAM LLLIAGHETT VNLIGNGVLA DATA SEQUENCE LLTHPDQRKL LAEDPSLISS AVEEFLRFDS PVSQAPIRFT AEDVTYSGVT DATA SEQUENCE IPAGEMVMLG LAAANRDADW MPEPDRLDIT RDASGGVFFG HGIHFCLGAQ DATA SEQUENCE LARLEGRVAI GRLFADRPEL ALAVGLDELV YRRSTLVRGL SRMPVTMGPR DATA SEQUENCE S 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.558 177.584 -0.043 0.000 1.274 2 A CA 0.000 52.024 52.037 -0.022 0.000 0.836 2 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 3 L N 0.480 121.665 121.223 -0.063 0.000 2.317 3 L HA 0.774 5.114 4.340 0.000 0.000 0.281 3 L C 0.106 176.914 176.870 -0.102 0.000 1.024 3 L CA -0.354 54.436 54.840 -0.083 0.000 0.810 3 L CB 1.985 43.989 42.059 -0.091 0.000 1.240 3 L HN 0.817 nan 8.230 nan 0.000 0.427 4 T N 0.294 114.796 114.554 -0.085 0.000 2.916 4 T HA 0.379 4.729 4.350 0.000 0.000 0.305 4 T C -0.531 174.137 174.700 -0.054 0.000 1.119 4 T CA -0.524 61.533 62.100 -0.072 0.000 1.008 4 T CB 1.434 70.266 68.868 -0.059 0.000 1.129 4 T HN 0.686 nan 8.240 nan 0.000 0.480 5 T N 1.406 115.945 114.554 -0.025 0.000 2.919 5 T HA 0.383 4.733 4.350 0.000 0.000 0.302 5 T C 0.491 175.189 174.700 -0.004 0.000 1.031 5 T CA -0.322 61.780 62.100 0.004 0.000 1.127 5 T CB 0.749 69.656 68.868 0.066 0.000 0.952 5 T HN 0.490 nan 8.240 nan 0.000 0.540 6 T N 2.280 116.833 114.554 -0.001 0.000 2.909 6 T HA 0.625 4.975 4.350 0.000 0.000 0.289 6 T C 0.684 175.391 174.700 0.011 0.000 1.005 6 T CA 0.958 63.056 62.100 -0.003 0.000 1.084 6 T CB -0.006 68.860 68.868 -0.005 0.000 0.975 6 T HN 1.384 nan 8.240 nan 0.000 0.509 7 G N 1.953 110.756 108.800 0.004 0.000 2.318 7 G HA2 -0.124 3.836 3.960 0.000 0.000 0.367 7 G HA3 -0.124 3.836 3.960 0.000 0.000 0.367 7 G C 0.829 175.729 174.900 -0.000 0.000 1.260 7 G CA 0.543 45.650 45.100 0.011 0.000 1.055 7 G HN 0.826 nan 8.290 nan 0.000 0.484 8 T N -0.145 114.413 114.554 0.006 0.000 2.580 8 T HA -0.044 4.306 4.350 0.000 0.000 0.265 8 T C 1.001 175.683 174.700 -0.030 0.000 1.063 8 T CA 2.567 64.664 62.100 -0.005 0.000 1.170 8 T CB -0.522 68.351 68.868 0.008 0.000 0.863 8 T HN 0.599 nan 8.240 nan 0.000 0.418 9 E N 1.329 121.512 120.200 -0.027 0.000 2.313 9 E HA 0.320 4.670 4.350 0.000 0.000 0.276 9 E C -0.623 175.877 176.600 -0.168 0.000 1.031 9 E CA -0.208 56.116 56.400 -0.127 0.000 0.857 9 E CB 0.964 30.620 29.700 -0.074 0.000 1.040 9 E HN 0.298 nan 8.360 nan 0.000 0.408 10 Q N 2.676 122.309 119.800 -0.279 0.000 2.509 10 Q HA 0.141 4.481 4.340 0.000 0.000 0.236 10 Q C -1.408 174.410 176.000 -0.303 0.000 1.073 10 Q CA -0.256 55.424 55.803 -0.205 0.000 0.867 10 Q CB 0.300 28.955 28.738 -0.138 0.000 1.181 10 Q HN 0.432 nan 8.270 nan 0.000 0.526 11 H N 1.613 120.650 119.070 -0.055 0.000 2.459 11 H HA 0.237 4.793 4.556 0.000 0.000 0.332 11 H C -0.630 174.639 175.328 -0.099 0.000 1.094 11 H CA -0.730 55.276 56.048 -0.071 0.000 1.224 11 H CB 1.314 31.034 29.762 -0.072 0.000 1.449 11 H HN 0.530 nan 8.280 nan 0.000 0.484 12 D N 3.008 123.419 120.400 0.018 0.000 2.455 12 D HA 0.075 4.715 4.640 0.000 0.000 0.241 12 D C 0.158 176.340 176.300 -0.197 0.000 1.138 12 D CA 0.334 54.282 54.000 -0.087 0.000 0.877 12 D CB 0.971 41.720 40.800 -0.085 0.000 1.187 12 D HN 0.292 nan 8.370 nan 0.000 0.451 13 L N 2.844 123.822 121.223 -0.407 0.000 2.356 13 L HA 0.269 4.609 4.340 0.000 0.000 0.277 13 L C 0.013 176.281 176.870 -1.003 0.000 0.996 13 L CA -0.879 53.383 54.840 -0.964 0.000 0.822 13 L CB 1.049 42.778 42.059 -0.550 0.000 1.256 13 L HN 0.360 nan 8.230 nan 0.000 0.413 14 F N 1.015 119.926 119.950 -1.731 0.000 3.100 14 F HA -0.305 4.222 4.527 0.000 0.000 0.283 14 F C 0.556 176.004 175.800 -0.586 0.000 0.900 14 F CA 0.962 58.259 58.000 -1.172 0.000 1.010 14 F CB -2.123 36.506 39.000 -0.618 0.000 1.029 14 F HN 0.620 nan 8.300 nan 0.000 0.637 15 S N -2.984 112.376 115.700 -0.566 0.000 2.615 15 S HA 0.743 5.213 4.470 0.000 0.000 0.268 15 S C 0.405 174.891 174.600 -0.191 0.000 1.146 15 S CA -0.301 57.819 58.200 -0.135 0.000 0.818 15 S CB 1.407 64.595 63.200 -0.020 0.000 1.111 15 S HN 1.659 nan 8.310 nan 0.000 0.465 16 G N 1.808 110.631 108.800 0.037 0.000 2.672 16 G HA2 -0.399 3.561 3.960 0.000 0.000 0.324 16 G HA3 -0.399 3.561 3.960 0.000 0.000 0.324 16 G C 1.151 176.063 174.900 0.020 0.000 1.286 16 G CA 2.220 47.345 45.100 0.042 0.000 1.004 16 G HN 2.289 nan 8.290 nan 0.000 0.548 17 T N -1.427 113.118 114.554 -0.015 0.000 2.977 17 T HA 0.043 4.393 4.350 0.000 0.000 0.271 17 T C 2.055 176.687 174.700 -0.113 0.000 1.105 17 T CA 1.873 63.958 62.100 -0.025 0.000 1.116 17 T CB -0.183 68.675 68.868 -0.016 0.000 0.878 17 T HN 0.737 nan 8.240 nan 0.000 0.509 18 F N 0.958 120.659 119.950 -0.415 0.000 2.126 18 F HA -0.030 4.497 4.527 0.000 0.000 0.299 18 F C 1.834 177.298 175.800 -0.559 0.000 1.096 18 F CA 1.121 58.736 58.000 -0.641 0.000 1.255 18 F CB -0.432 37.987 39.000 -0.968 0.000 0.997 18 F HN 0.183 nan 8.300 nan 0.000 0.479 19 W N -0.048 121.212 121.300 -0.067 0.000 2.363 19 W HA -0.185 4.475 4.660 0.000 0.000 0.296 19 W C 2.537 178.878 176.519 -0.298 0.000 1.212 19 W CA 0.813 58.086 57.345 -0.120 0.000 1.260 19 W CB -0.674 28.825 29.460 0.064 0.000 1.131 19 W HN 0.071 nan 8.180 nan 0.000 0.530 20 Q N 0.638 120.427 119.800 -0.019 0.000 2.137 20 Q HA -0.095 4.245 4.340 0.000 0.000 0.198 20 Q C 0.056 175.847 176.000 -0.349 0.000 0.960 20 Q CA 1.215 56.975 55.803 -0.073 0.000 0.847 20 Q CB -0.045 28.733 28.738 0.067 0.000 0.915 20 Q HN 0.029 nan 8.270 nan 0.000 0.448 21 N N -0.766 117.701 118.700 -0.387 0.000 2.747 21 N HA 0.184 4.924 4.740 0.000 0.000 0.262 21 N C -2.650 172.455 175.510 -0.675 0.000 1.261 21 N CA -1.363 51.429 53.050 -0.429 0.000 0.809 21 N CB 1.715 40.079 38.487 -0.205 0.000 1.450 21 N HN -0.090 nan 8.380 nan 0.000 0.560 22 P HA 0.038 nan 4.420 nan 0.000 0.240 22 P C 0.793 177.307 177.300 -1.309 0.000 1.190 22 P CA 0.623 62.668 63.100 -1.758 0.000 0.781 22 P CB 0.348 30.672 31.700 -2.293 0.000 0.931 23 H N 0.937 119.632 119.070 -0.624 0.000 2.353 23 H HA -0.008 4.548 4.556 0.000 0.000 0.300 23 H C -0.550 174.617 175.328 -0.269 0.000 1.090 23 H CA 1.864 57.735 56.048 -0.295 0.000 1.327 23 H CB -2.059 27.579 29.762 -0.206 0.000 1.383 23 H HN 0.272 nan 8.280 nan 0.000 0.508 24 P HA -0.055 nan 4.420 nan 0.000 0.217 24 P C 1.597 178.544 177.300 -0.589 0.000 1.150 24 P CA 1.628 64.486 63.100 -0.403 0.000 0.832 24 P CB -0.111 31.271 31.700 -0.530 0.000 0.787 25 A N -1.277 121.163 122.820 -0.633 0.000 1.908 25 A HA -0.238 4.082 4.320 0.000 0.000 0.218 25 A C 2.003 179.512 177.584 -0.125 0.000 1.181 25 A CA 1.539 53.360 52.037 -0.361 0.000 0.627 25 A CB -1.897 16.979 19.000 -0.206 0.000 0.818 25 A HN 0.103 nan 8.150 nan 0.000 0.445 26 Y N -0.186 120.048 120.300 -0.110 0.000 2.200 26 Y HA -0.049 4.501 4.550 0.000 0.000 0.290 26 Y C 2.952 178.843 175.900 -0.016 0.000 1.137 26 Y CA 0.268 58.344 58.100 -0.040 0.000 1.163 26 Y CB -1.117 37.315 38.460 -0.047 0.000 0.988 26 Y HN 0.328 nan 8.280 nan 0.000 0.518 27 A N 0.052 122.945 122.820 0.121 0.000 1.908 27 A HA -0.137 4.184 4.320 0.000 0.000 0.218 27 A C 2.498 180.122 177.584 0.068 0.000 1.181 27 A CA 2.057 54.141 52.037 0.078 0.000 0.627 27 A CB -1.186 17.835 19.000 0.034 0.000 0.818 27 A HN 0.380 nan 8.150 nan 0.000 0.445 28 A N -0.548 122.299 122.820 0.046 0.000 1.969 28 A HA 0.059 4.379 4.320 0.000 0.000 0.218 28 A C 2.161 179.796 177.584 0.084 0.000 1.169 28 A CA 1.335 53.421 52.037 0.082 0.000 0.635 28 A CB -0.482 18.604 19.000 0.143 0.000 0.810 28 A HN 0.471 nan 8.150 nan 0.000 0.445 29 L N -1.225 120.053 121.223 0.092 0.000 2.005 29 L HA -0.143 4.197 4.340 0.000 0.000 0.207 29 L C 2.831 179.757 176.870 0.092 0.000 1.072 29 L CA 1.267 56.165 54.840 0.096 0.000 0.744 29 L CB -0.533 41.602 42.059 0.127 0.000 0.895 29 L HN 0.326 nan 8.230 nan 0.000 0.433 30 R N -0.047 120.513 120.500 0.099 0.000 2.119 30 R HA -0.218 4.122 4.340 0.000 0.000 0.246 30 R C 2.289 178.637 176.300 0.080 0.000 1.146 30 R CA 1.689 57.842 56.100 0.089 0.000 0.962 30 R CB -0.465 29.892 30.300 0.095 0.000 0.863 30 R HN 0.407 nan 8.270 nan 0.000 0.442 31 A N 0.573 123.438 122.820 0.076 0.000 1.903 31 A HA -0.077 4.243 4.320 0.000 0.000 0.213 31 A C 1.639 179.260 177.584 0.062 0.000 1.185 31 A CA 0.952 53.029 52.037 0.066 0.000 0.628 31 A CB 0.118 19.155 19.000 0.062 0.000 0.830 31 A HN 0.222 nan 8.150 nan 0.000 0.446 32 E N -1.620 118.618 120.200 0.063 0.000 2.434 32 E HA 0.073 4.423 4.350 0.000 0.000 0.207 32 E C -0.630 176.003 176.600 0.056 0.000 0.929 32 E CA 0.210 56.644 56.400 0.055 0.000 1.001 32 E CB 0.612 30.343 29.700 0.051 0.000 1.016 32 E HN 0.360 nan 8.360 nan 0.000 0.502 33 D N 0.352 120.790 120.400 0.064 0.000 3.118 33 D HA 0.094 4.734 4.640 0.000 0.000 0.286 33 D C -2.134 174.215 176.300 0.081 0.000 1.255 33 D CA -1.279 52.761 54.000 0.066 0.000 0.748 33 D CB 1.035 41.865 40.800 0.050 0.000 1.332 33 D HN -0.117 nan 8.370 nan 0.000 0.575 34 P HA 0.017 nan 4.420 nan 0.000 0.241 34 P C 0.204 177.559 177.300 0.093 0.000 1.191 34 P CA 0.327 63.478 63.100 0.085 0.000 0.771 34 P CB 0.721 32.471 31.700 0.083 0.000 0.929 35 V N 0.961 120.953 119.914 0.129 0.000 2.383 35 V HA 0.311 4.431 4.120 0.000 0.000 0.264 35 V C 0.013 176.265 176.094 0.262 0.000 1.001 35 V CA -0.766 61.651 62.300 0.196 0.000 0.828 35 V CB 0.963 32.911 31.823 0.208 0.000 1.069 35 V HN -0.061 nan 8.190 nan 0.000 0.451 36 R N 3.032 123.630 120.500 0.163 0.000 2.294 36 R HA 0.452 4.792 4.340 0.000 0.000 0.319 36 R C -0.217 175.981 176.300 -0.170 0.000 0.984 36 R CA -0.369 55.742 56.100 0.018 0.000 0.861 36 R CB 1.023 31.328 30.300 0.009 0.000 1.104 36 R HN 0.524 nan 8.270 nan 0.000 0.451 37 K N 5.959 126.033 120.400 -0.543 0.000 2.284 37 K HA 0.202 4.522 4.320 0.000 0.000 0.287 37 K C -0.922 175.372 176.600 -0.509 0.000 1.081 37 K CA -0.302 55.391 56.287 -0.989 0.000 0.910 37 K CB 0.370 31.943 32.500 -1.544 0.000 1.088 37 K HN 0.604 nan 8.250 nan 0.000 0.478 38 L N 3.613 124.604 121.223 -0.386 0.000 2.275 38 L HA 0.316 4.656 4.340 0.000 0.000 0.288 38 L C 0.369 177.106 176.870 -0.221 0.000 1.046 38 L CA -0.720 53.979 54.840 -0.235 0.000 0.805 38 L CB 1.600 43.552 42.059 -0.179 0.000 1.193 38 L HN 0.675 nan 8.230 nan 0.000 0.426 39 A N 6.283 129.004 122.820 -0.166 0.000 2.906 39 A HA 0.440 4.760 4.320 0.000 0.000 0.289 39 A C 0.044 177.570 177.584 -0.097 0.000 1.675 39 A CA -0.209 51.754 52.037 -0.125 0.000 1.372 39 A CB -0.618 18.323 19.000 -0.097 0.000 1.091 39 A HN 0.630 nan 8.150 nan 0.000 0.579 40 L N 1.830 122.988 121.223 -0.107 0.000 2.400 40 L HA 0.308 4.648 4.340 0.000 0.000 0.264 40 L C -1.160 175.681 176.870 -0.049 0.000 1.061 40 L CA -2.123 52.662 54.840 -0.090 0.000 0.799 40 L CB 0.824 42.797 42.059 -0.143 0.000 1.240 40 L HN 0.308 nan 8.230 nan 0.000 0.461 41 P HA -0.170 nan 4.420 nan 0.000 0.214 41 P C 0.407 177.706 177.300 -0.002 0.000 1.163 41 P CA 1.278 64.375 63.100 -0.005 0.000 0.889 41 P CB 0.160 31.866 31.700 0.010 0.000 0.790 42 D N -1.337 119.064 120.400 0.002 0.000 2.349 42 D HA 0.250 4.890 4.640 0.000 0.000 0.224 42 D C 1.207 177.518 176.300 0.017 0.000 1.029 42 D CA 0.826 54.837 54.000 0.018 0.000 0.879 42 D CB 0.159 40.981 40.800 0.038 0.000 0.906 42 D HN 0.230 nan 8.370 nan 0.000 0.528 43 G N 0.697 109.495 108.800 -0.004 0.000 2.369 43 G HA2 0.061 4.021 3.960 0.000 0.000 0.307 43 G HA3 0.061 4.021 3.960 0.000 0.000 0.307 43 G C -3.044 171.832 174.900 -0.039 0.000 1.327 43 G CA -1.108 43.989 45.100 -0.005 0.000 0.963 43 G HN -0.217 nan 8.290 nan 0.000 0.590 44 P HA 0.450 nan 4.420 nan 0.000 0.271 44 P C -0.389 176.863 177.300 -0.079 0.000 1.226 44 P CA -0.033 62.999 63.100 -0.113 0.000 0.765 44 P CB 1.429 33.054 31.700 -0.125 0.000 0.835 45 V N 4.421 124.242 119.914 -0.156 0.000 2.487 45 V HA 0.287 4.407 4.120 0.000 0.000 0.298 45 V C -0.249 175.758 176.094 -0.145 0.000 1.028 45 V CA -0.581 61.666 62.300 -0.087 0.000 0.860 45 V CB 1.145 32.890 31.823 -0.131 0.000 0.991 45 V HN 0.496 nan 8.190 nan 0.000 0.427 46 W N 4.684 125.923 121.300 -0.102 0.000 2.251 46 W HA 0.644 5.305 4.660 0.000 0.000 0.329 46 W C -0.252 176.201 176.519 -0.109 0.000 1.234 46 W CA -0.341 56.950 57.345 -0.089 0.000 1.228 46 W CB 0.845 30.255 29.460 -0.084 0.000 1.135 46 W HN 0.394 nan 8.180 nan 0.000 0.576 47 L N 3.981 125.286 121.223 0.135 0.000 2.376 47 L HA 0.535 4.875 4.340 0.000 0.000 0.275 47 L C -1.525 175.373 176.870 0.046 0.000 0.987 47 L CA -0.752 54.124 54.840 0.060 0.000 0.828 47 L CB 0.817 42.927 42.059 0.086 0.000 1.249 47 L HN 0.191 nan 8.230 nan 0.000 0.409 48 L N 4.365 125.561 121.223 -0.045 0.000 2.282 48 L HA 0.581 4.921 4.340 0.000 0.000 0.288 48 L C 1.191 178.011 176.870 -0.083 0.000 1.033 48 L CA 0.287 55.072 54.840 -0.092 0.000 0.807 48 L CB 1.592 43.504 42.059 -0.246 0.000 1.209 48 L HN 0.834 nan 8.230 nan 0.000 0.423 49 T N -1.236 113.297 114.554 -0.034 0.000 2.955 49 T HA 0.266 4.616 4.350 0.000 0.000 0.251 49 T C 0.916 175.613 174.700 -0.006 0.000 1.002 49 T CA -0.293 61.789 62.100 -0.030 0.000 0.970 49 T CB 0.119 69.005 68.868 0.030 0.000 1.091 49 T HN 0.289 nan 8.240 nan 0.000 0.495 50 R N 0.637 121.146 120.500 0.015 0.000 2.390 50 R HA 0.331 4.671 4.340 0.000 0.000 0.291 50 R C 0.672 177.000 176.300 0.046 0.000 1.070 50 R CA -0.458 55.680 56.100 0.064 0.000 1.014 50 R CB 0.488 30.840 30.300 0.085 0.000 1.007 50 R HN 0.206 nan 8.270 nan 0.000 0.466 51 Y N 2.938 123.223 120.300 -0.025 0.000 2.114 51 Y HA -0.335 4.215 4.550 -0.000 0.000 0.282 51 Y C 2.029 177.872 175.900 -0.096 0.000 1.165 51 Y CA 2.363 60.402 58.100 -0.102 0.000 1.148 51 Y CB -0.088 38.307 38.460 -0.107 0.000 0.972 51 Y HN 0.763 nan 8.280 nan 0.000 0.504 52 A N -0.146 122.756 122.820 0.137 0.000 1.930 52 A HA -0.156 4.165 4.320 0.000 0.000 0.217 52 A C 1.903 179.492 177.584 0.009 0.000 1.175 52 A CA 1.845 53.930 52.037 0.080 0.000 0.627 52 A CB -0.773 18.323 19.000 0.160 0.000 0.815 52 A HN 0.538 nan 8.150 nan 0.000 0.443 53 D N -0.251 120.172 120.400 0.039 0.000 2.097 53 D HA -0.100 4.540 4.640 0.000 0.000 0.195 53 D C 2.073 178.292 176.300 -0.136 0.000 0.989 53 D CA 1.395 55.442 54.000 0.077 0.000 0.827 53 D CB -0.489 40.338 40.800 0.045 0.000 0.966 53 D HN 0.180 nan 8.370 nan 0.000 0.456 54 V N 0.832 120.613 119.914 -0.222 0.000 2.343 54 V HA -0.209 3.911 4.120 0.000 0.000 0.247 54 V C 2.570 178.538 176.094 -0.210 0.000 1.051 54 V CA 1.470 63.586 62.300 -0.305 0.000 1.036 54 V CB -0.317 31.334 31.823 -0.286 0.000 0.654 54 V HN 0.151 nan 8.190 nan 0.000 0.451 55 R N -0.477 119.862 120.500 -0.269 0.000 2.075 55 R HA -0.175 4.165 4.340 0.000 0.000 0.232 55 R C 2.441 178.787 176.300 0.077 0.000 1.126 55 R CA 1.726 57.712 56.100 -0.189 0.000 0.963 55 R CB -0.248 29.719 30.300 -0.555 0.000 0.858 55 R HN 0.628 nan 8.270 nan 0.000 0.435 56 E N 0.028 120.260 120.200 0.053 0.000 2.106 56 E HA -0.161 4.189 4.350 0.000 0.000 0.192 56 E C 1.733 178.435 176.600 0.170 0.000 0.984 56 E CA 1.072 57.562 56.400 0.150 0.000 0.806 56 E CB 0.003 29.818 29.700 0.191 0.000 0.750 56 E HN 0.348 nan 8.360 nan 0.000 0.458 57 A N 0.523 123.371 122.820 0.047 0.000 1.940 57 A HA -0.161 4.160 4.320 0.000 0.000 0.219 57 A C 1.949 179.488 177.584 -0.075 0.000 1.176 57 A CA 1.104 53.070 52.037 -0.120 0.000 0.631 57 A CB -1.010 17.687 19.000 -0.504 0.000 0.814 57 A HN 0.388 nan 8.150 nan 0.000 0.446 58 F N -0.227 119.717 119.950 -0.011 0.000 2.250 58 F HA -0.163 4.365 4.527 0.000 0.000 0.301 58 F C 1.965 177.775 175.800 0.017 0.000 1.077 58 F CA 1.459 59.473 58.000 0.024 0.000 1.348 58 F CB 0.246 39.303 39.000 0.094 0.000 1.040 58 F HN 0.209 nan 8.300 nan 0.000 0.509 59 V N -4.247 115.796 119.914 0.216 0.000 3.427 59 V HA 0.177 4.297 4.120 0.000 0.000 0.305 59 V C -0.081 176.059 176.094 0.078 0.000 1.412 59 V CA -0.326 62.033 62.300 0.100 0.000 1.086 59 V CB -0.237 31.614 31.823 0.048 0.000 0.964 59 V HN -0.037 nan 8.190 nan 0.000 0.439 60 D N 3.349 123.804 120.400 0.092 0.000 2.336 60 D HA 0.269 4.909 4.640 0.000 0.000 0.249 60 D C -1.126 175.202 176.300 0.047 0.000 1.213 60 D CA -2.126 51.919 54.000 0.075 0.000 0.870 60 D CB 1.922 42.799 40.800 0.128 0.000 1.076 60 D HN 0.222 nan 8.370 nan 0.000 0.483 61 P HA -0.052 nan 4.420 nan 0.000 0.230 61 P C 0.899 178.201 177.300 0.004 0.000 1.158 61 P CA 0.472 63.586 63.100 0.024 0.000 0.769 61 P CB 0.341 32.053 31.700 0.019 0.000 0.807 62 R N -0.577 119.918 120.500 -0.008 0.000 2.235 62 R HA 0.099 4.439 4.340 0.000 0.000 0.213 62 R C 0.916 177.180 176.300 -0.060 0.000 1.059 62 R CA 0.396 56.469 56.100 -0.045 0.000 0.997 62 R CB -0.411 29.867 30.300 -0.038 0.000 0.884 62 R HN 0.237 nan 8.270 nan 0.000 0.462 63 L N 1.732 122.942 121.223 -0.023 0.000 2.315 63 L HA 0.174 4.514 4.340 0.000 0.000 0.278 63 L C 0.110 176.988 176.870 0.014 0.000 1.088 63 L CA -0.414 54.406 54.840 -0.033 0.000 0.899 63 L CB 1.212 43.229 42.059 -0.070 0.000 1.277 63 L HN 0.005 nan 8.230 nan 0.000 0.431 64 S N 1.856 117.590 115.700 0.056 0.000 2.672 64 S HA 0.343 4.813 4.470 0.000 0.000 0.276 64 S C 0.943 175.710 174.600 0.279 0.000 1.207 64 S CA -0.665 57.629 58.200 0.157 0.000 1.002 64 S CB 1.178 64.475 63.200 0.161 0.000 0.998 64 S HN 0.444 nan 8.310 nan 0.000 0.542 65 K N 1.244 121.803 120.400 0.264 0.000 2.404 65 K HA 0.176 4.496 4.320 0.000 0.000 0.194 65 K C -0.325 176.475 176.600 0.333 0.000 1.023 65 K CA 0.062 56.525 56.287 0.292 0.000 1.094 65 K CB -0.280 32.269 32.500 0.081 0.000 0.841 65 K HN 0.574 nan 8.250 nan 0.000 0.523 66 D N 1.184 121.756 120.400 0.287 0.000 2.339 66 D HA -0.030 4.610 4.640 0.000 0.000 0.241 66 D C 1.091 177.255 176.300 -0.227 0.000 1.183 66 D CA -0.484 53.568 54.000 0.087 0.000 0.859 66 D CB 0.442 41.289 40.800 0.079 0.000 1.067 66 D HN 0.089 nan 8.370 nan 0.000 0.484 67 W N 5.209 125.996 121.300 -0.856 0.000 2.611 67 W HA 0.008 4.668 4.660 0.000 0.000 0.251 67 W C 0.974 177.048 176.519 -0.743 0.000 1.265 67 W CA -0.079 56.366 57.345 -1.501 0.000 1.295 67 W CB -0.982 27.966 29.460 -0.853 0.000 1.129 67 W HN 0.376 nan 8.180 nan 0.000 0.630 68 R N -0.072 120.250 120.500 -0.297 0.000 2.237 68 R HA -0.104 4.236 4.340 0.000 0.000 0.219 68 R C 1.656 177.767 176.300 -0.314 0.000 1.080 68 R CA 1.439 57.319 56.100 -0.367 0.000 0.995 68 R CB -0.729 29.411 30.300 -0.266 0.000 0.875 68 R HN 0.367 nan 8.270 nan 0.000 0.462 69 H N -0.089 118.890 119.070 -0.151 0.000 2.518 69 H HA -0.023 4.533 4.556 0.000 0.000 0.289 69 H C 1.745 177.062 175.328 -0.018 0.000 1.051 69 H CA 0.924 56.944 56.048 -0.047 0.000 1.280 69 H CB 0.136 29.924 29.762 0.043 0.000 1.380 69 H HN 0.107 nan 8.280 nan 0.000 0.566 70 R N 0.152 120.668 120.500 0.027 0.000 2.148 70 R HA 0.012 4.352 4.340 0.000 0.000 0.227 70 R C 0.105 176.394 176.300 -0.017 0.000 1.103 70 R CA 0.501 56.629 56.100 0.046 0.000 0.983 70 R CB 0.076 30.385 30.300 0.015 0.000 0.874 70 R HN 0.227 nan 8.270 nan 0.000 0.451 71 L N 1.990 123.163 121.223 -0.083 0.000 2.375 71 L HA 0.358 4.698 4.340 0.000 0.000 0.268 71 L C -2.028 174.810 176.870 -0.054 0.000 1.058 71 L CA -2.503 52.280 54.840 -0.095 0.000 0.803 71 L CB 0.830 42.791 42.059 -0.164 0.000 1.212 71 L HN -0.129 nan 8.230 nan 0.000 0.451 72 P HA 0.048 nan 4.420 nan 0.000 0.274 72 P C 0.016 177.290 177.300 -0.044 0.000 1.231 72 P CA -0.301 62.781 63.100 -0.030 0.000 0.790 72 P CB 1.150 32.834 31.700 -0.026 0.000 0.951 73 E N 1.929 122.111 120.200 -0.030 0.000 2.147 73 E HA -0.264 4.086 4.350 0.000 0.000 0.199 73 E C 1.255 177.830 176.600 -0.042 0.000 1.005 73 E CA 2.183 58.562 56.400 -0.035 0.000 0.810 73 E CB -0.661 29.027 29.700 -0.019 0.000 0.736 73 E HN 0.527 nan 8.360 nan 0.000 0.460 74 D N -0.707 119.671 120.400 -0.037 0.000 2.310 74 D HA -0.163 4.477 4.640 0.000 0.000 0.212 74 D C 1.222 177.493 176.300 -0.049 0.000 0.965 74 D CA 0.749 54.727 54.000 -0.037 0.000 0.879 74 D CB -0.214 40.569 40.800 -0.029 0.000 0.921 74 D HN 0.202 nan 8.370 nan 0.000 0.510 75 Q N -0.223 119.539 119.800 -0.064 0.000 2.356 75 Q HA 0.194 4.534 4.340 0.000 0.000 0.205 75 Q C 1.781 177.719 176.000 -0.104 0.000 0.901 75 Q CA 0.046 55.799 55.803 -0.083 0.000 0.938 75 Q CB 0.374 29.055 28.738 -0.095 0.000 1.081 75 Q HN 0.448 nan 8.270 nan 0.000 0.517 76 R N -0.155 120.286 120.500 -0.098 0.000 2.161 76 R HA 0.128 4.468 4.340 0.000 0.000 0.213 76 R C 2.013 178.261 176.300 -0.087 0.000 1.055 76 R CA 0.828 56.859 56.100 -0.116 0.000 0.996 76 R CB 0.024 30.254 30.300 -0.118 0.000 0.901 76 R HN 0.098 nan 8.270 nan 0.000 0.456 77 A N 1.428 124.210 122.820 -0.063 0.000 1.930 77 A HA -0.127 4.193 4.320 0.000 0.000 0.217 77 A C 1.173 178.734 177.584 -0.037 0.000 1.175 77 A CA 1.387 53.398 52.037 -0.044 0.000 0.627 77 A CB -0.058 18.921 19.000 -0.034 0.000 0.815 77 A HN 0.119 nan 8.150 nan 0.000 0.443 78 D N -1.330 119.043 120.400 -0.045 0.000 2.340 78 D HA 0.142 4.782 4.640 0.000 0.000 0.220 78 D C 0.313 176.590 176.300 -0.039 0.000 1.039 78 D CA 0.237 54.215 54.000 -0.036 0.000 0.866 78 D CB 0.058 40.836 40.800 -0.037 0.000 0.913 78 D HN 0.402 nan 8.370 nan 0.000 0.523 79 M N 2.326 121.892 119.600 -0.056 0.000 2.209 79 M HA 0.300 4.780 4.480 0.000 0.000 0.355 79 M C -2.495 173.818 176.300 0.021 0.000 1.171 79 M CA -2.122 53.140 55.300 -0.063 0.000 1.069 79 M CB 1.419 33.912 32.600 -0.178 0.000 1.622 79 M HN -0.309 nan 8.290 nan 0.000 0.459 80 P HA 0.105 nan 4.420 nan 0.000 0.269 80 P C -0.380 177.095 177.300 0.291 0.000 1.215 80 P CA -0.000 63.198 63.100 0.164 0.000 0.780 80 P CB 0.401 32.206 31.700 0.176 0.000 0.898 81 A N 2.134 125.057 122.820 0.170 0.000 2.125 81 A HA 0.019 4.339 4.320 0.000 0.000 0.219 81 A C 1.042 178.653 177.584 0.045 0.000 1.156 81 A CA 1.733 53.859 52.037 0.148 0.000 0.671 81 A CB -0.910 18.123 19.000 0.055 0.000 0.794 81 A HN 0.766 nan 8.150 nan 0.000 0.459 82 T N -6.536 107.975 114.554 -0.072 0.000 2.853 82 T HA 0.517 4.867 4.350 0.000 0.000 0.311 82 T C -2.635 171.750 174.700 -0.525 0.000 1.307 82 T CA -0.832 60.936 62.100 -0.554 0.000 1.019 82 T CB 1.888 70.575 68.868 -0.302 0.000 1.264 82 T HN -0.095 nan 8.240 nan 0.000 0.497 83 P HA 0.144 nan 4.420 nan 0.000 0.225 83 P C 0.447 177.638 177.300 -0.182 0.000 1.156 83 P CA 0.886 63.732 63.100 -0.424 0.000 0.787 83 P CB 0.167 31.580 31.700 -0.478 0.000 0.802 84 T N -0.110 114.324 114.554 -0.200 0.000 3.295 84 T HA 0.318 4.668 4.350 0.000 0.000 0.331 84 T C -3.092 171.556 174.700 -0.086 0.000 1.142 84 T CA -1.816 60.228 62.100 -0.092 0.000 1.078 84 T CB 1.751 70.587 68.868 -0.054 0.000 1.150 84 T HN -0.212 nan 8.240 nan 0.000 0.465 85 P HA 0.192 nan 4.420 nan 0.000 0.232 85 P C -0.085 177.207 177.300 -0.013 0.000 1.738 85 P CA -0.195 62.889 63.100 -0.028 0.000 0.948 85 P CB -0.514 31.184 31.700 -0.003 0.000 1.943 86 M N 1.482 121.066 119.600 -0.025 0.000 2.235 86 M HA 0.256 4.736 4.480 0.000 0.000 0.351 86 M C 2.155 178.474 176.300 0.031 0.000 1.178 86 M CA -0.407 54.891 55.300 -0.003 0.000 1.143 86 M CB 1.438 34.029 32.600 -0.016 0.000 1.530 86 M HN 0.056 nan 8.290 nan 0.000 0.461 87 M N 1.915 121.557 119.600 0.069 0.000 2.213 87 M HA -0.096 4.384 4.480 0.000 0.000 0.263 87 M C 1.545 178.027 176.300 0.303 0.000 1.062 87 M CA 1.865 57.270 55.300 0.175 0.000 1.105 87 M CB -0.460 32.212 32.600 0.119 0.000 1.385 87 M HN 0.740 nan 8.290 nan 0.000 0.417 88 I N 1.212 121.884 120.570 0.170 0.000 2.700 88 I HA -0.176 3.995 4.170 0.000 0.000 0.261 88 I C 1.158 177.237 176.117 -0.063 0.000 1.219 88 I CA 1.023 62.361 61.300 0.062 0.000 1.463 88 I CB 0.111 38.120 38.000 0.015 0.000 1.092 88 I HN 0.418 nan 8.210 nan 0.000 0.452 89 L N 0.190 121.410 121.223 -0.006 0.000 2.818 89 L HA 0.312 4.652 4.340 0.000 0.000 0.243 89 L C -0.017 176.852 176.870 -0.001 0.000 1.185 89 L CA -0.141 54.670 54.840 -0.049 0.000 0.988 89 L CB -0.094 41.883 42.059 -0.136 0.000 1.292 89 L HN 0.137 nan 8.230 nan 0.000 0.519 90 M N -0.952 118.708 119.600 0.100 0.000 2.644 90 M HA 0.423 4.903 4.480 0.000 0.000 0.304 90 M C -1.151 175.284 176.300 0.225 0.000 1.215 90 M CA -0.704 54.688 55.300 0.152 0.000 0.871 90 M CB 2.551 35.256 32.600 0.175 0.000 1.740 90 M HN -0.152 nan 8.290 nan 0.000 0.464 91 D N 1.109 121.617 120.400 0.180 0.000 2.440 91 D HA 0.518 5.159 4.640 0.000 0.000 0.258 91 D C -2.417 173.978 176.300 0.158 0.000 1.092 91 D CA -1.286 52.809 54.000 0.159 0.000 1.016 91 D CB 0.557 41.442 40.800 0.142 0.000 1.141 91 D HN 0.165 nan 8.370 nan 0.000 0.552 92 P HA 0.083 nan 4.420 nan 0.000 0.269 92 P C -1.608 175.741 177.300 0.081 0.000 1.217 92 P CA -0.630 62.534 63.100 0.108 0.000 0.783 92 P CB 0.076 31.821 31.700 0.076 0.000 0.898 93 P HA -0.034 nan 4.420 nan 0.000 0.235 93 P C 0.448 177.776 177.300 0.046 0.000 1.177 93 P CA 0.915 64.044 63.100 0.048 0.000 0.785 93 P CB 0.259 31.977 31.700 0.030 0.000 0.885 94 D N -0.477 119.958 120.400 0.059 0.000 2.097 94 D HA -0.196 4.444 4.640 0.000 0.000 0.195 94 D C 1.960 178.290 176.300 0.050 0.000 0.989 94 D CA 1.070 55.099 54.000 0.047 0.000 0.827 94 D CB -0.909 39.922 40.800 0.051 0.000 0.966 94 D HN 0.364 nan 8.370 nan 0.000 0.456 95 H N 1.032 120.117 119.070 0.025 0.000 2.289 95 H HA -0.126 4.430 4.556 0.000 0.000 0.296 95 H C 1.527 176.846 175.328 -0.015 0.000 1.091 95 H CA 2.222 58.282 56.048 0.019 0.000 1.274 95 H CB 0.012 29.786 29.762 0.020 0.000 1.364 95 H HN 0.042 nan 8.280 nan 0.000 0.490 96 T N 1.261 115.756 114.554 -0.099 0.000 2.635 96 T HA -0.220 4.130 4.350 0.000 0.000 0.267 96 T C 2.163 176.771 174.700 -0.154 0.000 1.040 96 T CA 1.739 63.759 62.100 -0.134 0.000 1.156 96 T CB -0.372 68.491 68.868 -0.009 0.000 0.863 96 T HN 0.363 nan 8.240 nan 0.000 0.430 97 R N 0.607 121.053 120.500 -0.089 0.000 2.094 97 R HA -0.085 4.255 4.340 0.000 0.000 0.239 97 R C 2.493 178.741 176.300 -0.087 0.000 1.137 97 R CA 1.525 57.586 56.100 -0.066 0.000 0.943 97 R CB -0.523 29.757 30.300 -0.033 0.000 0.850 97 R HN 0.386 nan 8.270 nan 0.000 0.433 98 L N -0.038 121.119 121.223 -0.109 0.000 2.093 98 L HA -0.137 4.204 4.340 0.000 0.000 0.208 98 L C 2.762 179.547 176.870 -0.141 0.000 1.085 98 L CA 1.217 55.997 54.840 -0.101 0.000 0.755 98 L CB -0.396 41.619 42.059 -0.074 0.000 0.904 98 L HN 0.166 nan 8.230 nan 0.000 0.435 99 R N 1.016 121.355 120.500 -0.270 0.000 2.066 99 R HA -0.181 4.159 4.340 0.000 0.000 0.232 99 R C 2.239 178.466 176.300 -0.122 0.000 1.131 99 R CA 1.698 57.648 56.100 -0.251 0.000 0.955 99 R CB -0.385 29.633 30.300 -0.471 0.000 0.851 99 R HN 0.162 nan 8.270 nan 0.000 0.432 100 K N 0.072 120.405 120.400 -0.111 0.000 2.103 100 K HA -0.137 4.183 4.320 0.000 0.000 0.207 100 K C 2.025 178.611 176.600 -0.024 0.000 1.048 100 K CA 1.552 57.808 56.287 -0.052 0.000 0.930 100 K CB -0.269 32.203 32.500 -0.047 0.000 0.716 100 K HN 0.293 nan 8.250 nan 0.000 0.444 101 L N 0.535 121.740 121.223 -0.029 0.000 2.079 101 L HA -0.162 4.178 4.340 0.000 0.000 0.210 101 L C 2.203 179.087 176.870 0.023 0.000 1.081 101 L CA 1.333 56.169 54.840 -0.007 0.000 0.752 101 L CB -0.079 41.971 42.059 -0.015 0.000 0.896 101 L HN 0.167 nan 8.230 nan 0.000 0.433 102 V N -1.098 118.835 119.914 0.031 0.000 3.565 102 V HA 0.091 4.211 4.120 0.000 0.000 0.260 102 V C 2.265 178.468 176.094 0.182 0.000 1.231 102 V CA 0.940 63.305 62.300 0.108 0.000 1.100 102 V CB 0.546 32.413 31.823 0.073 0.000 0.807 102 V HN 0.512 nan 8.190 nan 0.000 0.454 103 G N 0.381 109.236 108.800 0.092 0.000 2.505 103 G HA2 -0.320 3.640 3.960 0.000 0.000 0.220 103 G HA3 -0.320 3.640 3.960 0.000 0.000 0.220 103 G C 1.638 176.617 174.900 0.132 0.000 1.145 103 G CA 1.139 46.303 45.100 0.106 0.000 0.761 103 G HN 0.469 nan 8.290 nan 0.000 0.571 104 R N 0.222 120.772 120.500 0.084 0.000 2.127 104 R HA -0.041 4.299 4.340 0.000 0.000 0.238 104 R C 2.747 179.059 176.300 0.021 0.000 1.134 104 R CA 1.368 57.496 56.100 0.046 0.000 0.975 104 R CB -0.156 30.156 30.300 0.020 0.000 0.865 104 R HN 0.366 nan 8.270 nan 0.000 0.447 105 S N -0.314 115.404 115.700 0.031 0.000 2.561 105 S HA 0.024 4.494 4.470 0.000 0.000 0.225 105 S C 0.549 174.891 174.600 -0.429 0.000 0.977 105 S CA 0.588 58.683 58.200 -0.175 0.000 0.926 105 S CB 0.146 63.219 63.200 -0.212 0.000 0.769 105 S HN 0.194 nan 8.310 nan 0.000 0.533 106 F N 2.028 121.972 119.950 -0.010 0.000 2.698 106 F HA 0.204 4.731 4.527 -0.000 0.000 0.304 106 F C 1.316 177.111 175.800 -0.008 0.000 1.108 106 F CA -0.717 57.276 58.000 -0.011 0.000 1.263 106 F CB -0.431 38.561 39.000 -0.014 0.000 1.013 106 F HN 0.007 nan 8.300 nan 0.000 0.532 107 T N -2.014 112.586 114.554 0.078 0.000 2.855 107 T HA 0.083 4.434 4.350 0.000 0.000 0.314 107 T C 1.666 176.387 174.700 0.035 0.000 1.077 107 T CA 0.062 62.194 62.100 0.053 0.000 1.095 107 T CB 1.423 70.304 68.868 0.022 0.000 0.987 107 T HN 0.132 nan 8.240 nan 0.000 0.546 108 V N 0.996 120.931 119.914 0.035 0.000 2.407 108 V HA -0.141 3.979 4.120 0.000 0.000 0.248 108 V C 2.641 178.742 176.094 0.012 0.000 1.055 108 V CA 2.001 64.318 62.300 0.029 0.000 1.049 108 V CB -1.132 30.711 31.823 0.033 0.000 0.662 108 V HN 0.983 nan 8.190 nan 0.000 0.455 109 R N -0.086 120.417 120.500 0.005 0.000 2.082 109 R HA -0.170 4.170 4.340 0.000 0.000 0.234 109 R C 2.680 178.969 176.300 -0.018 0.000 1.136 109 R CA 2.118 58.215 56.100 -0.004 0.000 0.935 109 R CB -0.426 29.870 30.300 -0.006 0.000 0.842 109 R HN 0.427 nan 8.270 nan 0.000 0.430 110 R N -0.107 120.373 120.500 -0.033 0.000 2.096 110 R HA -0.146 4.194 4.340 0.000 0.000 0.240 110 R C 2.239 178.498 176.300 -0.068 0.000 1.139 110 R CA 1.732 57.793 56.100 -0.066 0.000 0.952 110 R CB -0.416 29.819 30.300 -0.109 0.000 0.854 110 R HN 0.401 nan 8.270 nan 0.000 0.436 111 M N 0.539 120.109 119.600 -0.050 0.000 2.254 111 M HA -0.070 4.410 4.480 0.000 0.000 0.265 111 M C 1.545 177.838 176.300 -0.013 0.000 1.066 111 M CA 1.088 56.368 55.300 -0.033 0.000 1.123 111 M CB -1.065 31.537 32.600 0.004 0.000 1.388 111 M HN 0.031 nan 8.290 nan 0.000 0.425 112 N N 1.154 119.851 118.700 -0.005 0.000 2.166 112 N HA -0.153 4.587 4.740 0.000 0.000 0.186 112 N C 1.433 176.940 175.510 -0.006 0.000 1.019 112 N CA 1.149 54.200 53.050 0.002 0.000 0.856 112 N CB -0.335 38.156 38.487 0.006 0.000 0.993 112 N HN 0.517 nan 8.380 nan 0.000 0.426 113 E N 0.199 120.388 120.200 -0.017 0.000 2.401 113 E HA -0.073 4.277 4.350 0.000 0.000 0.199 113 E C 1.330 177.916 176.600 -0.023 0.000 1.023 113 E CA 0.381 56.769 56.400 -0.021 0.000 0.859 113 E CB -0.027 29.655 29.700 -0.030 0.000 0.780 113 E HN 0.389 nan 8.360 nan 0.000 0.523 114 L N 0.129 121.337 121.223 -0.026 0.000 2.529 114 L HA 0.015 4.355 4.340 0.000 0.000 0.223 114 L C 2.311 179.174 176.870 -0.012 0.000 1.113 114 L CA 0.121 54.946 54.840 -0.025 0.000 0.861 114 L CB -0.033 42.004 42.059 -0.036 0.000 1.012 114 L HN 0.092 nan 8.230 nan 0.000 0.461 115 E N 1.488 121.687 120.200 -0.003 0.000 2.086 115 E HA -0.241 4.109 4.350 0.000 0.000 0.200 115 E C -0.694 175.910 176.600 0.007 0.000 1.012 115 E CA 1.822 58.226 56.400 0.007 0.000 0.812 115 E CB -0.494 29.214 29.700 0.014 0.000 0.743 115 E HN 0.288 nan 8.360 nan 0.000 0.453 116 P HA -0.147 nan 4.420 nan 0.000 0.217 116 P C 1.025 178.327 177.300 0.003 0.000 1.150 116 P CA 1.367 64.470 63.100 0.005 0.000 0.832 116 P CB -0.024 31.677 31.700 0.002 0.000 0.787 117 R N 0.279 120.777 120.500 -0.004 0.000 2.073 117 R HA -0.004 4.336 4.340 0.000 0.000 0.229 117 R C 2.142 178.437 176.300 -0.008 0.000 1.120 117 R CA 1.375 57.471 56.100 -0.007 0.000 0.967 117 R CB -1.637 28.655 30.300 -0.014 0.000 0.862 117 R HN 0.121 nan 8.270 nan 0.000 0.436 118 I N -0.004 120.560 120.570 -0.009 0.000 2.163 118 I HA -0.311 3.859 4.170 0.000 0.000 0.243 118 I C 1.928 178.045 176.117 -0.000 0.000 1.085 118 I CA 1.967 63.260 61.300 -0.012 0.000 1.347 118 I CB -0.636 37.360 38.000 -0.007 0.000 1.044 118 I HN 0.191 nan 8.210 nan 0.000 0.408 119 T N -0.121 114.441 114.554 0.013 0.000 2.652 119 T HA -0.259 4.091 4.350 0.000 0.000 0.267 119 T C 1.816 176.533 174.700 0.028 0.000 1.039 119 T CA 1.687 63.803 62.100 0.028 0.000 1.153 119 T CB -0.344 68.541 68.868 0.028 0.000 0.863 119 T HN 0.405 nan 8.240 nan 0.000 0.428 120 E N 0.376 120.587 120.200 0.018 0.000 2.065 120 E HA -0.168 4.182 4.350 0.000 0.000 0.201 120 E C 2.196 178.806 176.600 0.017 0.000 1.016 120 E CA 1.354 57.764 56.400 0.016 0.000 0.818 120 E CB -0.280 29.425 29.700 0.008 0.000 0.749 120 E HN 0.484 nan 8.360 nan 0.000 0.453 121 I N 0.628 121.201 120.570 0.005 0.000 2.163 121 I HA -0.304 3.867 4.170 0.000 0.000 0.243 121 I C 2.551 178.675 176.117 0.012 0.000 1.085 121 I CA 1.132 62.429 61.300 -0.004 0.000 1.347 121 I CB -0.340 37.640 38.000 -0.033 0.000 1.044 121 I HN 0.170 nan 8.210 nan 0.000 0.408 122 A N 0.310 123.142 122.820 0.020 0.000 1.933 122 A HA -0.236 4.084 4.320 0.000 0.000 0.218 122 A C 1.947 179.624 177.584 0.155 0.000 1.175 122 A CA 2.018 54.106 52.037 0.085 0.000 0.628 122 A CB -0.553 18.503 19.000 0.093 0.000 0.814 122 A HN 0.358 nan 8.150 nan 0.000 0.444 123 D N -0.186 120.269 120.400 0.091 0.000 2.078 123 D HA -0.092 4.548 4.640 0.000 0.000 0.193 123 D C 2.184 178.524 176.300 0.065 0.000 0.990 123 D CA 1.591 55.635 54.000 0.073 0.000 0.827 123 D CB -0.971 39.857 40.800 0.047 0.000 0.975 123 D HN 0.390 nan 8.370 nan 0.000 0.451 124 G N 1.169 110.001 108.800 0.052 0.000 2.513 124 G HA2 -0.270 3.690 3.960 0.000 0.000 0.219 124 G HA3 -0.270 3.690 3.960 0.000 0.000 0.219 124 G C 1.843 176.780 174.900 0.060 0.000 1.160 124 G CA 0.779 45.905 45.100 0.044 0.000 0.767 124 G HN 0.257 nan 8.290 nan 0.000 0.571 125 L N -0.274 121.008 121.223 0.098 0.000 2.017 125 L HA -0.026 4.314 4.340 0.000 0.000 0.208 125 L C 2.963 179.907 176.870 0.124 0.000 1.073 125 L CA 0.656 55.584 54.840 0.147 0.000 0.745 125 L CB -0.417 41.794 42.059 0.254 0.000 0.894 125 L HN 0.195 nan 8.230 nan 0.000 0.432 126 L N -0.496 120.794 121.223 0.112 0.000 2.083 126 L HA -0.198 4.142 4.340 0.000 0.000 0.209 126 L C 2.851 179.716 176.870 -0.008 0.000 1.083 126 L CA 1.148 55.988 54.840 0.000 0.000 0.752 126 L CB -0.721 41.333 42.059 -0.009 0.000 0.899 126 L HN 0.244 nan 8.230 nan 0.000 0.433 127 A N 0.102 122.931 122.820 0.015 0.000 1.933 127 A HA -0.110 4.210 4.320 0.000 0.000 0.218 127 A C 2.301 179.886 177.584 0.002 0.000 1.175 127 A CA 1.707 53.747 52.037 0.006 0.000 0.628 127 A CB -1.036 17.972 19.000 0.013 0.000 0.814 127 A HN 0.448 nan 8.150 nan 0.000 0.444 128 G N -1.101 107.706 108.800 0.012 0.000 2.712 128 G HA2 0.314 4.274 3.960 0.000 0.000 0.212 128 G HA3 0.314 4.274 3.960 0.000 0.000 0.212 128 G C 0.511 175.411 174.900 -0.000 0.000 1.142 128 G CA -0.226 44.879 45.100 0.009 0.000 0.789 128 G HN 0.385 nan 8.290 nan 0.000 0.535 129 L N 2.382 123.599 121.223 -0.011 0.000 2.331 129 L HA 0.267 4.607 4.340 0.000 0.000 0.278 129 L C -1.707 175.140 176.870 -0.038 0.000 1.106 129 L CA -1.849 52.974 54.840 -0.029 0.000 0.824 129 L CB 1.028 43.051 42.059 -0.058 0.000 1.142 129 L HN -0.034 nan 8.230 nan 0.000 0.443 130 P HA -0.010 nan 4.420 nan 0.000 0.262 130 P C 0.505 177.778 177.300 -0.045 0.000 1.199 130 P CA 0.044 63.123 63.100 -0.035 0.000 0.763 130 P CB 0.739 32.421 31.700 -0.031 0.000 0.790 131 T N 1.087 115.617 114.554 -0.040 0.000 2.833 131 T HA -0.098 4.252 4.350 0.000 0.000 0.269 131 T C 0.404 175.080 174.700 -0.040 0.000 1.054 131 T CA 1.526 63.601 62.100 -0.042 0.000 1.135 131 T CB -0.249 68.599 68.868 -0.033 0.000 0.869 131 T HN 0.500 nan 8.240 nan 0.000 0.466 132 D N -1.201 119.179 120.400 -0.034 0.000 2.457 132 D HA 0.603 5.243 4.640 0.000 0.000 0.240 132 D C 0.081 176.363 176.300 -0.030 0.000 1.041 132 D CA 0.515 54.497 54.000 -0.031 0.000 0.861 132 D CB 1.802 42.588 40.800 -0.024 0.000 1.394 132 D HN 0.329 nan 8.370 nan 0.000 0.473 133 G N 1.291 110.073 108.800 -0.030 0.000 2.555 133 G HA2 0.030 3.990 3.960 0.000 0.000 0.686 133 G HA3 0.030 3.990 3.960 0.000 0.000 0.686 133 G C -2.956 171.923 174.900 -0.034 0.000 1.275 133 G CA -1.271 43.812 45.100 -0.029 0.000 0.871 133 G HN 0.418 nan 8.290 nan 0.000 0.603 134 P HA 0.558 nan 4.420 nan 0.000 0.292 134 P C 0.009 177.288 177.300 -0.035 0.000 1.287 134 P CA -0.474 62.606 63.100 -0.034 0.000 0.800 134 P CB 1.617 33.300 31.700 -0.029 0.000 0.945 135 V N -0.081 119.808 119.914 -0.041 0.000 2.769 135 V HA 0.593 4.713 4.120 0.000 0.000 0.312 135 V C -0.694 175.380 176.094 -0.035 0.000 1.061 135 V CA -1.003 61.275 62.300 -0.036 0.000 0.931 135 V CB 2.137 33.936 31.823 -0.039 0.000 1.010 135 V HN 0.347 nan 8.190 nan 0.000 0.433 136 D N 3.282 123.665 120.400 -0.027 0.000 2.393 136 D HA 0.180 4.820 4.640 0.000 0.000 0.232 136 D C 0.623 176.921 176.300 -0.003 0.000 1.192 136 D CA -0.207 53.777 54.000 -0.026 0.000 0.882 136 D CB 1.242 42.021 40.800 -0.035 0.000 1.038 136 D HN 0.637 nan 8.370 nan 0.000 0.499 137 L N 4.724 125.946 121.223 -0.000 0.000 2.201 137 L HA -0.114 4.226 4.340 0.000 0.000 0.212 137 L C 1.781 178.712 176.870 0.102 0.000 1.105 137 L CA 1.322 56.188 54.840 0.042 0.000 0.775 137 L CB -0.279 41.783 42.059 0.005 0.000 0.913 137 L HN 0.480 nan 8.230 nan 0.000 0.440 138 M N -0.856 118.777 119.600 0.054 0.000 2.091 138 M HA -0.182 4.298 4.480 0.000 0.000 0.259 138 M C 2.453 178.807 176.300 0.090 0.000 1.076 138 M CA 1.617 56.957 55.300 0.067 0.000 1.111 138 M CB -1.473 31.132 32.600 0.009 0.000 1.291 138 M HN 0.168 nan 8.290 nan 0.000 0.417 139 R N 1.017 121.522 120.500 0.009 0.000 2.103 139 R HA -0.145 4.195 4.340 0.000 0.000 0.242 139 R C 1.724 178.077 176.300 0.089 0.000 1.142 139 R CA 1.630 57.714 56.100 -0.026 0.000 0.960 139 R CB -0.379 29.863 30.300 -0.097 0.000 0.858 139 R HN 0.363 nan 8.270 nan 0.000 0.439 140 E N -1.944 118.314 120.200 0.097 0.000 2.474 140 E HA -0.021 4.329 4.350 0.000 0.000 0.194 140 E C 0.518 177.245 176.600 0.213 0.000 1.041 140 E CA 0.485 56.958 56.400 0.122 0.000 0.874 140 E CB 0.303 30.049 29.700 0.077 0.000 0.914 140 E HN 0.481 nan 8.360 nan 0.000 0.498 141 Y N -0.635 119.697 120.300 0.054 0.000 3.260 141 Y HA 0.297 4.847 4.550 0.000 0.000 0.202 141 Y C 2.070 178.002 175.900 0.054 0.000 0.962 141 Y CA 0.762 58.885 58.100 0.039 0.000 1.582 141 Y CB -0.267 38.198 38.460 0.008 0.000 1.478 141 Y HN -0.078 nan 8.280 nan 0.000 0.384 142 A N 0.692 123.578 122.820 0.110 0.000 1.883 142 A HA -0.223 4.097 4.320 0.000 0.000 0.217 142 A C 1.976 179.572 177.584 0.020 0.000 1.186 142 A CA 1.971 54.024 52.037 0.028 0.000 0.624 142 A CB -1.429 17.640 19.000 0.115 0.000 0.822 142 A HN 0.662 nan 8.150 nan 0.000 0.444 143 F N 0.312 120.231 119.950 -0.053 0.000 2.171 143 F HA -0.179 4.348 4.527 0.000 0.000 0.300 143 F C 2.496 178.236 175.800 -0.102 0.000 1.090 143 F CA 2.021 59.985 58.000 -0.059 0.000 1.293 143 F CB -0.072 38.911 39.000 -0.029 0.000 1.013 143 F HN 0.187 nan 8.300 nan 0.000 0.486 144 Q N 0.636 120.398 119.800 -0.063 0.000 2.046 144 Q HA -0.128 4.212 4.340 0.000 0.000 0.200 144 Q C 2.500 178.343 176.000 -0.261 0.000 0.975 144 Q CA 1.922 57.633 55.803 -0.154 0.000 0.836 144 Q CB -0.612 28.117 28.738 -0.016 0.000 0.896 144 Q HN 0.515 nan 8.270 nan 0.000 0.428 145 I N 1.230 121.636 120.570 -0.273 0.000 2.091 145 I HA -0.278 3.892 4.170 0.000 0.000 0.239 145 I C -0.684 175.297 176.117 -0.226 0.000 1.061 145 I CA 1.519 62.671 61.300 -0.247 0.000 1.317 145 I CB -1.567 36.255 38.000 -0.298 0.000 1.031 145 I HN 0.155 nan 8.210 nan 0.000 0.401 146 P HA -0.107 nan 4.420 nan 0.000 0.218 146 P C 1.931 179.051 177.300 -0.299 0.000 1.149 146 P CA 1.131 64.103 63.100 -0.214 0.000 0.817 146 P CB 0.026 31.612 31.700 -0.190 0.000 0.785 147 V N -0.179 119.439 119.914 -0.493 0.000 2.358 147 V HA -0.243 3.877 4.120 0.000 0.000 0.246 147 V C 2.514 178.424 176.094 -0.308 0.000 1.047 147 V CA 1.792 63.719 62.300 -0.621 0.000 1.035 147 V CB -1.156 30.042 31.823 -1.042 0.000 0.658 147 V HN 0.165 nan 8.190 nan 0.000 0.452 148 Q N -0.622 119.041 119.800 -0.227 0.000 2.119 148 Q HA -0.145 4.195 4.340 0.000 0.000 0.201 148 Q C 2.336 178.287 176.000 -0.081 0.000 0.972 148 Q CA 1.623 57.358 55.803 -0.112 0.000 0.847 148 Q CB -0.296 28.388 28.738 -0.091 0.000 0.903 148 Q HN 0.548 nan 8.270 nan 0.000 0.433 149 V N 1.658 121.512 119.914 -0.099 0.000 2.255 149 V HA -0.283 3.837 4.120 0.000 0.000 0.247 149 V C 2.271 178.341 176.094 -0.040 0.000 1.051 149 V CA 2.136 64.399 62.300 -0.062 0.000 1.018 149 V CB -0.714 31.075 31.823 -0.056 0.000 0.641 149 V HN 0.415 nan 8.190 nan 0.000 0.445 150 I N -1.562 118.980 120.570 -0.047 0.000 2.439 150 I HA -0.122 4.048 4.170 0.000 0.000 0.251 150 I C 2.423 178.544 176.117 0.006 0.000 1.139 150 I CA 1.138 62.438 61.300 0.000 0.000 1.438 150 I CB -1.565 36.448 38.000 0.022 0.000 1.085 150 I HN 0.174 nan 8.210 nan 0.000 0.427 151 C N 1.213 120.515 119.300 0.003 0.000 2.413 151 C HA -0.150 4.310 4.460 0.000 0.000 0.276 151 C C 2.792 177.802 174.990 0.034 0.000 1.236 151 C CA 1.377 60.424 59.018 0.048 0.000 1.735 151 C CB -1.151 26.652 27.740 0.106 0.000 2.031 151 C HN 0.578 nan 8.230 nan 0.000 0.474 152 E N 0.110 120.318 120.200 0.012 0.000 2.072 152 E HA -0.188 4.162 4.350 0.000 0.000 0.191 152 E C 2.003 178.599 176.600 -0.006 0.000 0.985 152 E CA 0.849 57.252 56.400 0.004 0.000 0.801 152 E CB -0.251 29.444 29.700 -0.008 0.000 0.750 152 E HN 0.480 nan 8.360 nan 0.000 0.452 153 L N 0.843 122.059 121.223 -0.012 0.000 2.017 153 L HA -0.165 4.175 4.340 0.000 0.000 0.208 153 L C 1.959 178.825 176.870 -0.006 0.000 1.073 153 L CA 1.681 56.505 54.840 -0.027 0.000 0.745 153 L CB -0.313 41.727 42.059 -0.032 0.000 0.894 153 L HN 0.122 nan 8.230 nan 0.000 0.432 154 L N -0.673 120.561 121.223 0.019 0.000 2.109 154 L HA 0.132 4.472 4.340 0.000 0.000 0.207 154 L C 1.432 178.312 176.870 0.016 0.000 1.086 154 L CA 0.765 55.620 54.840 0.025 0.000 0.760 154 L CB -0.685 41.387 42.059 0.022 0.000 0.910 154 L HN 0.577 nan 8.230 nan 0.000 0.437 155 G N 0.659 109.472 108.800 0.022 0.000 2.215 155 G HA2 -0.201 3.759 3.960 0.000 0.000 0.198 155 G HA3 -0.201 3.759 3.960 0.000 0.000 0.198 155 G C -0.152 174.782 174.900 0.057 0.000 1.047 155 G CA -0.542 44.578 45.100 0.032 0.000 0.747 155 G HN 0.134 nan 8.290 nan 0.000 0.495 156 L N 0.703 121.971 121.223 0.075 0.000 2.290 156 L HA 0.385 4.725 4.340 0.000 0.000 0.284 156 L C -1.652 175.359 176.870 0.233 0.000 1.078 156 L CA -2.054 52.875 54.840 0.148 0.000 0.815 156 L CB 0.796 42.888 42.059 0.054 0.000 1.162 156 L HN -0.066 nan 8.230 nan 0.000 0.435 157 P HA -0.000 nan 4.420 nan 0.000 0.264 157 P C 0.362 177.807 177.300 0.241 0.000 1.193 157 P CA 0.009 63.246 63.100 0.229 0.000 0.763 157 P CB 1.052 32.892 31.700 0.232 0.000 0.810 158 A N 4.065 126.970 122.820 0.143 0.000 1.978 158 A HA -0.240 4.080 4.320 0.000 0.000 0.220 158 A C 1.814 179.410 177.584 0.021 0.000 1.170 158 A CA 1.643 53.731 52.037 0.085 0.000 0.636 158 A CB -0.943 18.089 19.000 0.053 0.000 0.810 158 A HN 0.534 nan 8.150 nan 0.000 0.448 159 E N 0.758 120.981 120.200 0.039 0.000 2.187 159 E HA -0.185 4.165 4.350 0.000 0.000 0.199 159 E C 0.841 177.411 176.600 -0.050 0.000 1.004 159 E CA 1.575 57.981 56.400 0.011 0.000 0.813 159 E CB -0.208 29.524 29.700 0.053 0.000 0.736 159 E HN 0.630 nan 8.360 nan 0.000 0.468 160 D N -0.697 119.668 120.400 -0.058 0.000 2.349 160 D HA 0.089 4.729 4.640 0.000 0.000 0.214 160 D C 1.320 177.066 176.300 -0.923 0.000 1.063 160 D CA -0.016 53.832 54.000 -0.254 0.000 0.847 160 D CB 0.064 40.931 40.800 0.112 0.000 0.933 160 D HN 0.094 nan 8.370 nan 0.000 0.513 161 R N 0.730 120.748 120.500 -0.804 0.000 2.117 161 R HA -0.138 4.202 4.340 0.000 0.000 0.243 161 R C 1.178 176.988 176.300 -0.816 0.000 1.143 161 R CA 1.157 56.635 56.100 -1.037 0.000 0.968 161 R CB 0.064 30.189 30.300 -0.291 0.000 0.863 161 R HN 0.067 nan 8.270 nan 0.000 0.444 162 D N 0.136 120.208 120.400 -0.546 0.000 2.149 162 D HA -0.109 4.531 4.640 0.000 0.000 0.201 162 D C 1.395 177.350 176.300 -0.576 0.000 0.972 162 D CA 1.058 54.812 54.000 -0.409 0.000 0.835 162 D CB -0.193 40.441 40.800 -0.277 0.000 0.966 162 D HN 0.141 nan 8.370 nan 0.000 0.476 163 D N 0.070 120.006 120.400 -0.773 0.000 2.097 163 D HA -0.128 4.512 4.640 0.000 0.000 0.197 163 D C 1.989 177.314 176.300 -1.625 0.000 0.984 163 D CA 0.743 54.047 54.000 -1.159 0.000 0.826 163 D CB -0.423 39.755 40.800 -1.036 0.000 0.973 163 D HN 0.382 nan 8.370 nan 0.000 0.460 164 F N 1.269 120.620 119.950 -0.999 0.000 2.512 164 F HA 0.123 4.650 4.527 0.000 0.000 0.296 164 F C 2.228 177.778 175.800 -0.417 0.000 1.110 164 F CA 0.613 58.221 58.000 -0.653 0.000 1.446 164 F CB -1.172 37.596 39.000 -0.387 0.000 1.092 164 F HN -0.103 nan 8.300 nan 0.000 0.554 165 S N 0.977 116.592 115.700 -0.142 0.000 2.406 165 S HA 0.052 4.522 4.470 0.000 0.000 0.228 165 S C 2.220 176.793 174.600 -0.046 0.000 1.020 165 S CA 0.578 58.804 58.200 0.043 0.000 0.965 165 S CB -1.040 62.392 63.200 0.386 0.000 0.798 165 S HN 0.467 nan 8.310 nan 0.000 0.488 166 A N 1.589 124.271 122.820 -0.231 0.000 1.902 166 A HA -0.016 4.304 4.320 0.000 0.000 0.217 166 A C 2.076 179.641 177.584 -0.031 0.000 1.181 166 A CA 1.410 53.334 52.037 -0.189 0.000 0.623 166 A CB -1.187 17.630 19.000 -0.305 0.000 0.818 166 A HN 0.761 nan 8.150 nan 0.000 0.443 167 W N -0.123 121.172 121.300 -0.008 0.000 2.381 167 W HA -0.072 4.588 4.660 0.000 0.000 0.301 167 W C 2.945 179.463 176.519 -0.001 0.000 1.205 167 W CA 0.876 58.222 57.345 0.000 0.000 1.285 167 W CB -1.603 27.861 29.460 0.008 0.000 1.133 167 W HN 0.439 nan 8.180 nan 0.000 0.521 168 S N 0.256 116.065 115.700 0.181 0.000 2.370 168 S HA -0.220 4.250 4.470 0.000 0.000 0.226 168 S C 2.275 176.937 174.600 0.103 0.000 1.033 168 S CA 2.336 60.590 58.200 0.090 0.000 1.011 168 S CB -0.669 62.499 63.200 -0.053 0.000 0.852 168 S HN 0.188 nan 8.310 nan 0.000 0.457 169 S N 0.220 115.979 115.700 0.100 0.000 2.368 169 S HA -0.063 4.407 4.470 0.000 0.000 0.225 169 S C 1.857 176.498 174.600 0.069 0.000 1.030 169 S CA 1.507 59.758 58.200 0.085 0.000 0.999 169 S CB -0.663 62.568 63.200 0.051 0.000 0.844 169 S HN 0.396 nan 8.310 nan 0.000 0.459 170 V N 1.953 121.916 119.914 0.081 0.000 2.490 170 V HA -0.111 4.009 4.120 0.000 0.000 0.250 170 V C 2.389 178.524 176.094 0.069 0.000 1.061 170 V CA 1.768 64.113 62.300 0.074 0.000 1.064 170 V CB -0.730 31.155 31.823 0.103 0.000 0.670 170 V HN 0.506 nan 8.190 nan 0.000 0.461 171 L N -1.023 120.248 121.223 0.081 0.000 2.291 171 L HA -0.043 4.297 4.340 0.000 0.000 0.214 171 L C 2.182 179.088 176.870 0.060 0.000 1.120 171 L CA 0.600 55.480 54.840 0.066 0.000 0.799 171 L CB -0.278 41.822 42.059 0.068 0.000 0.925 171 L HN 0.184 nan 8.230 nan 0.000 0.446 172 V N -1.637 118.317 119.914 0.066 0.000 2.949 172 V HA 0.003 4.123 4.120 0.000 0.000 0.245 172 V C 0.866 176.994 176.094 0.057 0.000 1.086 172 V CA 0.585 62.926 62.300 0.069 0.000 1.097 172 V CB 0.058 31.933 31.823 0.088 0.000 0.762 172 V HN 0.268 nan 8.190 nan 0.000 0.470 173 D N 0.808 121.231 120.400 0.038 0.000 2.414 173 D HA 0.045 4.685 4.640 0.000 0.000 0.259 173 D C 0.783 177.084 176.300 0.001 0.000 1.269 173 D CA 0.160 54.163 54.000 0.004 0.000 1.028 173 D CB 0.151 40.940 40.800 -0.019 0.000 1.093 173 D HN 0.316 nan 8.370 nan 0.000 0.545 174 D N -0.958 119.418 120.400 -0.039 0.000 2.396 174 D HA -0.055 4.585 4.640 0.000 0.000 0.255 174 D C -0.313 175.987 176.300 -0.001 0.000 1.224 174 D CA -0.085 53.904 54.000 -0.018 0.000 0.894 174 D CB -0.567 40.191 40.800 -0.069 0.000 0.939 174 D HN -0.097 nan 8.370 nan 0.000 0.506 175 S N 1.508 117.212 115.700 0.007 0.000 2.579 175 S HA 0.226 4.696 4.470 0.000 0.000 0.275 175 S C -2.127 172.486 174.600 0.022 0.000 1.345 175 S CA -0.786 57.423 58.200 0.014 0.000 1.031 175 S CB 0.666 63.880 63.200 0.024 0.000 0.892 175 S HN 0.239 nan 8.310 nan 0.000 0.529 176 P HA 0.168 nan 4.420 nan 0.000 0.269 176 P C 0.232 177.549 177.300 0.029 0.000 1.215 176 P CA -0.209 62.906 63.100 0.025 0.000 0.780 176 P CB 0.370 32.083 31.700 0.022 0.000 0.898 177 A N 1.901 124.740 122.820 0.032 0.000 1.978 177 A HA -0.217 4.103 4.320 0.000 0.000 0.220 177 A C 1.648 179.252 177.584 0.033 0.000 1.170 177 A CA 1.933 53.993 52.037 0.038 0.000 0.636 177 A CB -1.149 17.878 19.000 0.045 0.000 0.810 177 A HN 0.482 nan 8.150 nan 0.000 0.448 178 D N 0.096 120.512 120.400 0.027 0.000 2.144 178 D HA -0.080 4.560 4.640 0.000 0.000 0.200 178 D C 1.295 177.606 176.300 0.020 0.000 0.978 178 D CA 1.266 55.279 54.000 0.021 0.000 0.833 178 D CB -0.343 40.468 40.800 0.017 0.000 0.961 178 D HN 0.384 nan 8.370 nan 0.000 0.470 179 D N 0.417 120.831 120.400 0.025 0.000 2.144 179 D HA -0.094 4.546 4.640 0.000 0.000 0.199 179 D C 1.872 178.192 176.300 0.033 0.000 0.984 179 D CA 0.823 54.841 54.000 0.030 0.000 0.834 179 D CB -0.031 40.789 40.800 0.034 0.000 0.955 179 D HN 0.220 nan 8.370 nan 0.000 0.465 180 K N 0.268 120.688 120.400 0.033 0.000 2.062 180 K HA -0.040 4.280 4.320 0.000 0.000 0.205 180 K C 1.808 178.419 176.600 0.019 0.000 1.051 180 K CA 0.580 56.887 56.287 0.034 0.000 0.941 180 K CB -0.025 32.498 32.500 0.037 0.000 0.719 180 K HN 0.037 nan 8.250 nan 0.000 0.440 181 N N 1.310 120.019 118.700 0.015 0.000 2.061 181 N HA -0.193 4.547 4.740 0.000 0.000 0.193 181 N C 1.782 177.276 175.510 -0.026 0.000 1.030 181 N CA 1.631 54.681 53.050 -0.001 0.000 0.856 181 N CB -0.403 38.088 38.487 0.007 0.000 1.023 181 N HN 0.197 nan 8.380 nan 0.000 0.424 182 A N 1.033 123.841 122.820 -0.021 0.000 1.858 182 A HA 0.019 4.339 4.320 0.000 0.000 0.216 182 A C 2.414 179.940 177.584 -0.095 0.000 1.190 182 A CA 2.171 54.181 52.037 -0.045 0.000 0.617 182 A CB -1.051 17.940 19.000 -0.015 0.000 0.827 182 A HN 0.329 nan 8.150 nan 0.000 0.443 183 A N -0.781 122.010 122.820 -0.048 0.000 1.917 183 A HA -0.218 4.102 4.320 0.000 0.000 0.219 183 A C 2.305 179.812 177.584 -0.127 0.000 1.182 183 A CA 2.084 54.084 52.037 -0.062 0.000 0.633 183 A CB -0.571 18.489 19.000 0.101 0.000 0.819 183 A HN 0.606 nan 8.150 nan 0.000 0.448 184 M N -0.566 118.998 119.600 -0.059 0.000 2.086 184 M HA -0.117 4.364 4.480 0.000 0.000 0.261 184 M C 2.159 178.413 176.300 -0.077 0.000 1.067 184 M CA 1.829 57.103 55.300 -0.043 0.000 1.116 184 M CB -0.519 32.069 32.600 -0.020 0.000 1.348 184 M HN 0.460 nan 8.290 nan 0.000 0.407 185 G N 0.446 109.176 108.800 -0.116 0.000 2.446 185 G HA2 -0.259 3.701 3.960 0.000 0.000 0.217 185 G HA3 -0.259 3.701 3.960 0.000 0.000 0.217 185 G C 1.512 176.303 174.900 -0.181 0.000 1.168 185 G CA 1.202 46.225 45.100 -0.128 0.000 0.771 185 G HN 0.438 nan 8.290 nan 0.000 0.551 186 K N -0.292 119.870 120.400 -0.398 0.000 2.025 186 K HA 0.161 4.481 4.320 0.000 0.000 0.207 186 K C 2.500 178.606 176.600 -0.823 0.000 1.049 186 K CA 0.570 56.402 56.287 -0.759 0.000 0.933 186 K CB -0.329 31.318 32.500 -1.422 0.000 0.714 186 K HN 0.215 nan 8.250 nan 0.000 0.438 187 L N 0.663 121.512 121.223 -0.623 0.000 2.012 187 L HA -0.265 4.075 4.340 0.000 0.000 0.210 187 L C 2.798 179.693 176.870 0.041 0.000 1.073 187 L CA 1.473 56.248 54.840 -0.109 0.000 0.748 187 L CB -0.500 41.603 42.059 0.073 0.000 0.891 187 L HN 0.469 nan 8.230 nan 0.000 0.431 188 H N -0.187 118.838 119.070 -0.074 0.000 2.290 188 H HA -0.176 4.380 4.556 0.000 0.000 0.298 188 H C 1.896 177.207 175.328 -0.027 0.000 1.087 188 H CA 2.064 58.090 56.048 -0.037 0.000 1.291 188 H CB -0.200 29.530 29.762 -0.054 0.000 1.369 188 H HN 0.364 nan 8.280 nan 0.000 0.492 189 G N -0.475 108.387 108.800 0.103 0.000 2.421 189 G HA2 -0.333 3.627 3.960 0.000 0.000 0.216 189 G HA3 -0.333 3.627 3.960 0.000 0.000 0.216 189 G C 1.806 176.712 174.900 0.011 0.000 1.171 189 G CA 0.815 45.945 45.100 0.049 0.000 0.775 189 G HN 0.576 nan 8.290 nan 0.000 0.543 190 Y N 1.092 121.356 120.300 -0.061 0.000 2.114 190 Y HA -0.123 4.427 4.550 0.000 0.000 0.282 190 Y C 2.534 178.459 175.900 0.043 0.000 1.165 190 Y CA 1.738 59.880 58.100 0.069 0.000 1.148 190 Y CB -0.248 38.378 38.460 0.277 0.000 0.972 190 Y HN 0.118 nan 8.280 nan 0.000 0.504 191 L N -1.201 120.042 121.223 0.034 0.000 2.156 191 L HA -0.170 4.170 4.340 0.000 0.000 0.208 191 L C 2.781 179.532 176.870 -0.198 0.000 1.095 191 L CA 1.255 56.041 54.840 -0.089 0.000 0.770 191 L CB -0.718 41.346 42.059 0.007 0.000 0.914 191 L HN 0.171 nan 8.230 nan 0.000 0.439 192 S N -0.170 115.384 115.700 -0.242 0.000 2.359 192 S HA -0.210 4.260 4.470 0.000 0.000 0.224 192 S C 1.596 176.099 174.600 -0.162 0.000 1.035 192 S CA 1.742 59.804 58.200 -0.230 0.000 1.018 192 S CB -0.154 62.882 63.200 -0.273 0.000 0.876 192 S HN 0.424 nan 8.310 nan 0.000 0.448 193 D N 1.128 121.426 120.400 -0.169 0.000 2.117 193 D HA -0.026 4.614 4.640 0.000 0.000 0.198 193 D C 2.003 178.191 176.300 -0.187 0.000 0.982 193 D CA 0.448 54.359 54.000 -0.148 0.000 0.828 193 D CB -0.595 40.131 40.800 -0.123 0.000 0.967 193 D HN 0.291 nan 8.370 nan 0.000 0.464 194 L N 0.577 121.612 121.223 -0.314 0.000 1.997 194 L HA -0.227 4.113 4.340 0.000 0.000 0.216 194 L C 2.370 179.156 176.870 -0.140 0.000 1.074 194 L CA 1.301 55.980 54.840 -0.269 0.000 0.763 194 L CB -0.340 41.507 42.059 -0.354 0.000 0.890 194 L HN 0.089 nan 8.230 nan 0.000 0.434 195 L N -0.698 120.448 121.223 -0.127 0.000 2.079 195 L HA -0.236 4.104 4.340 0.000 0.000 0.210 195 L C 2.687 179.519 176.870 -0.065 0.000 1.081 195 L CA 1.089 55.879 54.840 -0.082 0.000 0.752 195 L CB -0.637 41.373 42.059 -0.080 0.000 0.896 195 L HN 0.303 nan 8.230 nan 0.000 0.433 196 E N 0.356 120.514 120.200 -0.071 0.000 2.085 196 E HA -0.202 4.148 4.350 0.000 0.000 0.194 196 E C 2.333 178.908 176.600 -0.041 0.000 0.994 196 E CA 1.220 57.590 56.400 -0.050 0.000 0.801 196 E CB -0.158 29.513 29.700 -0.048 0.000 0.743 196 E HN 0.490 nan 8.360 nan 0.000 0.453 197 R N 0.631 121.101 120.500 -0.049 0.000 2.092 197 R HA -0.051 4.289 4.340 0.000 0.000 0.231 197 R C 2.382 178.666 176.300 -0.026 0.000 1.119 197 R CA 0.979 57.058 56.100 -0.035 0.000 0.970 197 R CB -0.133 30.145 30.300 -0.038 0.000 0.864 197 R HN 0.078 nan 8.270 nan 0.000 0.440 198 K N 0.331 120.711 120.400 -0.032 0.000 2.211 198 K HA -0.124 4.196 4.320 0.000 0.000 0.203 198 K C 2.133 178.722 176.600 -0.018 0.000 1.050 198 K CA 0.744 57.018 56.287 -0.022 0.000 0.945 198 K CB -0.078 32.408 32.500 -0.023 0.000 0.732 198 K HN 0.094 nan 8.250 nan 0.000 0.451 199 R N 0.666 121.153 120.500 -0.021 0.000 2.083 199 R HA -0.145 4.195 4.340 0.000 0.000 0.237 199 R C 1.719 178.012 176.300 -0.012 0.000 1.137 199 R CA 2.019 58.109 56.100 -0.017 0.000 0.951 199 R CB -0.211 30.078 30.300 -0.019 0.000 0.851 199 R HN 0.090 nan 8.270 nan 0.000 0.434 200 T N 0.180 114.727 114.554 -0.012 0.000 2.896 200 T HA -0.052 4.298 4.350 0.000 0.000 0.263 200 T C -0.012 174.685 174.700 -0.006 0.000 1.050 200 T CA 1.179 63.274 62.100 -0.008 0.000 1.140 200 T CB 0.051 68.914 68.868 -0.008 0.000 0.877 200 T HN 0.400 nan 8.240 nan 0.000 0.457 201 E N 1.350 121.546 120.200 -0.006 0.000 3.108 201 E HA 0.285 4.635 4.350 0.000 0.000 0.228 201 E C -2.791 173.807 176.600 -0.003 0.000 1.176 201 E CA -1.729 54.669 56.400 -0.003 0.000 0.881 201 E CB 1.345 31.045 29.700 0.000 0.000 1.354 201 E HN 0.247 nan 8.360 nan 0.000 0.400 202 P HA 0.036 nan 4.420 nan 0.000 0.271 202 P C -0.655 176.643 177.300 -0.002 0.000 1.233 202 P CA -0.085 63.013 63.100 -0.005 0.000 0.789 202 P CB 0.682 32.379 31.700 -0.005 0.000 0.951 203 D N -1.452 118.947 120.400 -0.002 0.000 2.781 203 D HA 0.247 4.887 4.640 0.000 0.000 0.295 203 D C -0.419 175.878 176.300 -0.005 0.000 1.143 203 D CA -0.412 53.587 54.000 -0.001 0.000 1.076 203 D CB -0.129 40.673 40.800 0.003 0.000 1.444 203 D HN 0.062 nan 8.370 nan 0.000 0.567 204 D N -0.887 119.509 120.400 -0.007 0.000 2.342 204 D HA 0.396 5.036 4.640 0.000 0.000 0.221 204 D C 0.157 176.447 176.300 -0.017 0.000 1.101 204 D CA -0.073 53.920 54.000 -0.012 0.000 0.837 204 D CB 0.381 41.174 40.800 -0.013 0.000 0.938 204 D HN 0.501 nan 8.370 nan 0.000 0.508 205 A N 0.015 122.827 122.820 -0.012 0.000 2.247 205 A HA 0.382 4.702 4.320 0.000 0.000 0.313 205 A C 1.350 178.926 177.584 -0.012 0.000 1.109 205 A CA -0.540 51.487 52.037 -0.016 0.000 0.890 205 A CB 0.595 19.590 19.000 -0.008 0.000 1.239 205 A HN 0.113 nan 8.150 nan 0.000 0.506 206 L N -0.476 120.741 121.223 -0.010 0.000 2.046 206 L HA -0.145 4.195 4.340 0.000 0.000 0.208 206 L C 2.223 179.101 176.870 0.014 0.000 1.077 206 L CA 1.405 56.248 54.840 0.005 0.000 0.747 206 L CB -0.385 41.694 42.059 0.034 0.000 0.896 206 L HN 0.742 nan 8.230 nan 0.000 0.432 207 L N -1.473 119.757 121.223 0.012 0.000 2.083 207 L HA -0.206 4.134 4.340 0.000 0.000 0.209 207 L C 2.636 179.504 176.870 -0.003 0.000 1.083 207 L CA 0.914 55.757 54.840 0.005 0.000 0.752 207 L CB -0.504 41.554 42.059 -0.002 0.000 0.899 207 L HN 0.177 nan 8.230 nan 0.000 0.433 208 S N -0.445 115.253 115.700 -0.004 0.000 2.356 208 S HA -0.160 4.310 4.470 0.000 0.000 0.223 208 S C 2.220 176.817 174.600 -0.006 0.000 1.032 208 S CA 1.560 59.756 58.200 -0.007 0.000 1.005 208 S CB -0.076 63.120 63.200 -0.006 0.000 0.867 208 S HN 0.394 nan 8.310 nan 0.000 0.449 209 S N 1.955 117.652 115.700 -0.004 0.000 2.359 209 S HA -0.044 4.426 4.470 0.000 0.000 0.224 209 S C 1.815 176.415 174.600 -0.000 0.000 1.035 209 S CA 1.135 59.333 58.200 -0.004 0.000 1.018 209 S CB -0.524 62.673 63.200 -0.005 0.000 0.876 209 S HN 0.377 nan 8.310 nan 0.000 0.448 210 L N 0.938 122.164 121.223 0.004 0.000 2.141 210 L HA -0.004 4.336 4.340 0.000 0.000 0.209 210 L C 2.422 179.291 176.870 -0.002 0.000 1.094 210 L CA 0.715 55.559 54.840 0.005 0.000 0.763 210 L CB -0.487 41.580 42.059 0.013 0.000 0.908 210 L HN 0.299 nan 8.230 nan 0.000 0.437 211 L N 0.007 121.226 121.223 -0.006 0.000 2.012 211 L HA -0.245 4.095 4.340 0.000 0.000 0.210 211 L C 2.815 179.679 176.870 -0.009 0.000 1.073 211 L CA 1.636 56.469 54.840 -0.011 0.000 0.748 211 L CB -0.375 41.675 42.059 -0.015 0.000 0.891 211 L HN 0.279 nan 8.230 nan 0.000 0.431 212 A N -0.663 122.153 122.820 -0.007 0.000 1.892 212 A HA -0.207 4.113 4.320 0.000 0.000 0.218 212 A C 2.203 179.783 177.584 -0.005 0.000 1.188 212 A CA 2.095 54.128 52.037 -0.006 0.000 0.631 212 A CB -0.943 18.053 19.000 -0.006 0.000 0.822 212 A HN 0.333 nan 8.150 nan 0.000 0.447 213 V N -0.653 119.258 119.914 -0.004 0.000 2.295 213 V HA -0.214 3.907 4.120 0.000 0.000 0.246 213 V C 2.812 178.904 176.094 -0.004 0.000 1.049 213 V CA 2.345 64.643 62.300 -0.003 0.000 1.024 213 V CB -0.767 31.055 31.823 -0.001 0.000 0.648 213 V HN 0.661 nan 8.190 nan 0.000 0.447 214 S N -0.500 115.198 115.700 -0.005 0.000 2.356 214 S HA -0.232 4.238 4.470 0.000 0.000 0.223 214 S C 1.793 176.389 174.600 -0.005 0.000 1.032 214 S CA 1.776 59.972 58.200 -0.005 0.000 1.005 214 S CB -0.462 62.734 63.200 -0.007 0.000 0.867 214 S HN 0.641 nan 8.310 nan 0.000 0.449 215 D N 1.008 121.405 120.400 -0.006 0.000 2.123 215 D HA -0.106 4.534 4.640 0.000 0.000 0.196 215 D C 1.946 178.244 176.300 -0.005 0.000 0.992 215 D CA 1.348 55.344 54.000 -0.006 0.000 0.833 215 D CB -0.320 40.475 40.800 -0.007 0.000 0.954 215 D HN 0.479 nan 8.370 nan 0.000 0.455 216 M N -0.557 119.040 119.600 -0.004 0.000 2.156 216 M HA -0.088 4.392 4.480 0.000 0.000 0.264 216 M C 0.200 176.498 176.300 -0.003 0.000 1.067 216 M CA 0.929 56.227 55.300 -0.004 0.000 1.131 216 M CB 0.317 32.915 32.600 -0.004 0.000 1.368 216 M HN -0.200 nan 8.290 nan 0.000 0.416 217 D N -0.556 119.842 120.400 -0.003 0.000 2.328 217 D HA 0.242 4.882 4.640 0.000 0.000 0.243 217 D C 0.760 177.059 176.300 -0.002 0.000 1.324 217 D CA -0.061 53.937 54.000 -0.002 0.000 0.966 217 D CB 0.702 41.501 40.800 -0.003 0.000 1.324 217 D HN 0.165 nan 8.370 nan 0.000 0.549 218 G N 2.262 111.061 108.800 -0.002 0.000 2.545 218 G HA2 -0.325 3.635 3.960 0.000 0.000 0.222 218 G HA3 -0.325 3.635 3.960 0.000 0.000 0.222 218 G C 1.117 176.017 174.900 0.000 0.000 1.126 218 G CA 0.873 45.972 45.100 -0.000 0.000 0.754 218 G HN 0.445 nan 8.290 nan 0.000 0.583 219 D N -0.260 120.141 120.400 0.000 0.000 2.224 219 D HA -0.026 4.614 4.640 0.000 0.000 0.205 219 D C 2.507 178.806 176.300 -0.001 0.000 0.965 219 D CA 0.685 54.685 54.000 0.001 0.000 0.852 219 D CB -0.121 40.679 40.800 0.001 0.000 0.947 219 D HN 0.250 nan 8.370 nan 0.000 0.494 220 R N 0.232 120.730 120.500 -0.002 0.000 2.062 220 R HA 0.057 4.397 4.340 0.000 0.000 0.229 220 R C -0.014 176.282 176.300 -0.005 0.000 1.128 220 R CA 0.833 56.930 56.100 -0.005 0.000 0.960 220 R CB -0.202 30.095 30.300 -0.005 0.000 0.855 220 R HN 0.158 nan 8.270 nan 0.000 0.432 221 L N 0.987 122.208 121.223 -0.004 0.000 2.555 221 L HA 0.399 4.739 4.340 0.000 0.000 0.264 221 L C -0.964 175.905 176.870 -0.002 0.000 0.972 221 L CA -0.250 54.588 54.840 -0.003 0.000 0.876 221 L CB 1.623 43.679 42.059 -0.004 0.000 1.216 221 L HN 0.324 nan 8.230 nan 0.000 0.415 222 S N 2.632 118.333 115.700 0.001 0.000 2.624 222 S HA 0.209 4.679 4.470 0.000 0.000 0.263 222 S C 0.769 175.370 174.600 0.001 0.000 1.287 222 S CA -0.208 57.994 58.200 0.003 0.000 0.990 222 S CB 1.066 64.270 63.200 0.008 0.000 0.950 222 S HN 0.790 nan 8.310 nan 0.000 0.561 223 Q N 0.055 119.856 119.800 0.002 0.000 2.124 223 Q HA -0.139 4.201 4.340 0.000 0.000 0.202 223 Q C 1.572 177.572 176.000 -0.001 0.000 0.977 223 Q CA 1.385 57.185 55.803 -0.005 0.000 0.850 223 Q CB -0.163 28.570 28.738 -0.008 0.000 0.901 223 Q HN 0.747 nan 8.270 nan 0.000 0.429 224 E N 0.641 120.854 120.200 0.022 0.000 2.072 224 E HA -0.164 4.186 4.350 0.000 0.000 0.191 224 E C 1.805 178.423 176.600 0.031 0.000 0.985 224 E CA 0.914 57.342 56.400 0.048 0.000 0.801 224 E CB -0.080 29.660 29.700 0.066 0.000 0.750 224 E HN 0.463 nan 8.360 nan 0.000 0.452 225 E N 0.566 120.776 120.200 0.016 0.000 2.118 225 E HA -0.188 4.162 4.350 0.000 0.000 0.195 225 E C 2.100 178.701 176.600 0.001 0.000 0.992 225 E CA 0.722 57.127 56.400 0.008 0.000 0.804 225 E CB -0.114 29.589 29.700 0.005 0.000 0.741 225 E HN 0.052 nan 8.360 nan 0.000 0.458 226 L N 0.410 121.630 121.223 -0.005 0.000 2.027 226 L HA -0.131 4.209 4.340 0.000 0.000 0.206 226 L C 2.143 178.999 176.870 -0.024 0.000 1.074 226 L CA 1.369 56.202 54.840 -0.013 0.000 0.745 226 L CB -0.337 41.712 42.059 -0.017 0.000 0.898 226 L HN -0.072 nan 8.230 nan 0.000 0.433 227 V N 0.513 120.402 119.914 -0.041 0.000 2.295 227 V HA -0.285 3.835 4.120 0.000 0.000 0.246 227 V C 2.872 178.950 176.094 -0.025 0.000 1.049 227 V CA 1.698 63.953 62.300 -0.076 0.000 1.024 227 V CB -1.587 30.124 31.823 -0.187 0.000 0.648 227 V HN 0.619 nan 8.190 nan 0.000 0.447 228 A N -0.613 122.213 122.820 0.008 0.000 1.933 228 A HA -0.263 4.057 4.320 0.000 0.000 0.218 228 A C 2.159 179.746 177.584 0.004 0.000 1.175 228 A CA 2.354 54.403 52.037 0.019 0.000 0.628 228 A CB -0.531 18.481 19.000 0.020 0.000 0.814 228 A HN 0.475 nan 8.150 nan 0.000 0.444 229 M N 0.264 119.863 119.600 -0.001 0.000 2.086 229 M HA -0.036 4.444 4.480 0.000 0.000 0.261 229 M C 2.203 178.502 176.300 -0.003 0.000 1.067 229 M CA 1.781 57.078 55.300 -0.004 0.000 1.116 229 M CB -0.694 31.905 32.600 -0.002 0.000 1.348 229 M HN 0.379 nan 8.290 nan 0.000 0.407 230 A N -0.090 122.728 122.820 -0.004 0.000 1.892 230 A HA -0.268 4.052 4.320 0.000 0.000 0.218 230 A C 2.376 179.956 177.584 -0.006 0.000 1.188 230 A CA 2.366 54.400 52.037 -0.005 0.000 0.631 230 A CB -0.958 18.032 19.000 -0.016 0.000 0.822 230 A HN 0.696 nan 8.150 nan 0.000 0.447 231 M N -1.194 118.406 119.600 0.001 0.000 2.086 231 M HA -0.120 4.360 4.480 0.000 0.000 0.261 231 M C 2.094 178.399 176.300 0.008 0.000 1.067 231 M CA 2.025 57.332 55.300 0.011 0.000 1.116 231 M CB -0.197 32.420 32.600 0.029 0.000 1.348 231 M HN 0.429 nan 8.290 nan 0.000 0.407 232 L N 0.805 122.030 121.223 0.004 0.000 2.017 232 L HA -0.173 4.167 4.340 0.000 0.000 0.208 232 L C 1.953 178.821 176.870 -0.004 0.000 1.073 232 L CA 1.908 56.748 54.840 0.000 0.000 0.745 232 L CB -0.738 41.316 42.059 -0.009 0.000 0.894 232 L HN 0.373 nan 8.230 nan 0.000 0.432 233 L N -1.189 120.027 121.223 -0.011 0.000 2.093 233 L HA -0.183 4.157 4.340 0.000 0.000 0.208 233 L C 2.539 179.430 176.870 0.035 0.000 1.085 233 L CA 1.274 56.111 54.840 -0.004 0.000 0.755 233 L CB -0.584 41.484 42.059 0.015 0.000 0.904 233 L HN 0.389 nan 8.230 nan 0.000 0.435 234 L N -0.013 121.222 121.223 0.021 0.000 2.056 234 L HA -0.197 4.143 4.340 0.000 0.000 0.207 234 L C 2.496 179.433 176.870 0.112 0.000 1.078 234 L CA 1.394 56.255 54.840 0.035 0.000 0.749 234 L CB -0.040 41.952 42.059 -0.111 0.000 0.901 234 L HN 0.118 nan 8.230 nan 0.000 0.433 235 I N 0.260 120.862 120.570 0.053 0.000 2.142 235 I HA -0.282 3.888 4.170 0.000 0.000 0.240 235 I C 2.855 179.044 176.117 0.120 0.000 1.078 235 I CA 1.165 62.512 61.300 0.078 0.000 1.343 235 I CB -0.713 37.320 38.000 0.054 0.000 1.046 235 I HN 0.333 nan 8.210 nan 0.000 0.405 236 A N 1.076 123.944 122.820 0.079 0.000 1.958 236 A HA -0.216 4.104 4.320 0.000 0.000 0.221 236 A C 2.388 180.024 177.584 0.086 0.000 1.178 236 A CA 2.205 54.284 52.037 0.070 0.000 0.642 236 A CB -1.542 17.470 19.000 0.021 0.000 0.816 236 A HN 0.516 nan 8.150 nan 0.000 0.453 237 G N -2.653 106.208 108.800 0.102 0.000 2.534 237 G HA2 -0.113 3.847 3.960 0.000 0.000 0.217 237 G HA3 -0.113 3.847 3.960 0.000 0.000 0.217 237 G C 1.396 176.278 174.900 -0.029 0.000 1.128 237 G CA 0.921 46.052 45.100 0.051 0.000 0.784 237 G HN 0.761 nan 8.290 nan 0.000 0.542 238 H N -0.576 118.495 119.070 0.001 0.000 2.604 238 H HA 0.137 4.693 4.556 0.000 0.000 0.273 238 H C 1.222 176.612 175.328 0.102 0.000 0.971 238 H CA 0.631 56.688 56.048 0.016 0.000 1.249 238 H CB 0.907 30.748 29.762 0.131 0.000 1.449 238 H HN 0.287 nan 8.280 nan 0.000 0.512 239 E N 0.466 120.794 120.200 0.213 0.000 2.583 239 E HA 0.065 4.415 4.350 0.000 0.000 0.213 239 E C 1.234 177.919 176.600 0.141 0.000 0.989 239 E CA 0.283 56.795 56.400 0.187 0.000 0.991 239 E CB 1.032 30.833 29.700 0.168 0.000 1.040 239 E HN 0.501 nan 8.360 nan 0.000 0.481 240 T N -2.991 111.634 114.554 0.118 0.000 3.393 240 T HA 0.011 4.361 4.350 0.000 0.000 0.231 240 T C 1.982 176.743 174.700 0.102 0.000 0.983 240 T CA 0.705 62.873 62.100 0.113 0.000 1.272 240 T CB -0.526 68.414 68.868 0.121 0.000 1.214 240 T HN -0.153 nan 8.240 nan 0.000 0.368 241 T N 2.855 117.461 114.554 0.088 0.000 2.737 241 T HA -0.097 4.253 4.350 0.000 0.000 0.269 241 T C 2.092 176.826 174.700 0.056 0.000 1.040 241 T CA 1.450 63.595 62.100 0.074 0.000 1.142 241 T CB -0.895 68.002 68.868 0.048 0.000 0.861 241 T HN 0.218 nan 8.240 nan 0.000 0.456 242 V N 2.732 122.676 119.914 0.051 0.000 2.277 242 V HA -0.277 3.843 4.120 0.000 0.000 0.253 242 V C 2.268 178.414 176.094 0.087 0.000 1.067 242 V CA 1.906 64.251 62.300 0.074 0.000 1.047 242 V CB -0.600 31.311 31.823 0.146 0.000 0.649 242 V HN 0.533 nan 8.190 nan 0.000 0.447 243 N N -0.654 118.104 118.700 0.096 0.000 2.446 243 N HA 0.007 4.747 4.740 0.000 0.000 0.179 243 N C 1.548 177.109 175.510 0.085 0.000 1.054 243 N CA 0.572 53.682 53.050 0.101 0.000 0.905 243 N CB -0.041 38.520 38.487 0.123 0.000 0.973 243 N HN 0.434 nan 8.380 nan 0.000 0.448 244 L N 1.322 122.588 121.223 0.072 0.000 2.027 244 L HA 0.028 4.368 4.340 0.000 0.000 0.206 244 L C 1.842 178.736 176.870 0.040 0.000 1.074 244 L CA 1.383 56.259 54.840 0.060 0.000 0.745 244 L CB -0.618 41.484 42.059 0.071 0.000 0.898 244 L HN -0.012 nan 8.230 nan 0.000 0.433 245 I N -0.319 120.281 120.570 0.049 0.000 2.142 245 I HA -0.195 3.975 4.170 0.000 0.000 0.240 245 I C 2.569 178.707 176.117 0.035 0.000 1.078 245 I CA 1.357 62.687 61.300 0.051 0.000 1.343 245 I CB -1.366 36.673 38.000 0.066 0.000 1.046 245 I HN 0.404 nan 8.210 nan 0.000 0.405 246 G N 1.260 110.092 108.800 0.054 0.000 2.514 246 G HA2 -0.293 3.667 3.960 0.000 0.000 0.217 246 G HA3 -0.293 3.667 3.960 0.000 0.000 0.217 246 G C 1.417 176.333 174.900 0.027 0.000 1.198 246 G CA 1.258 46.387 45.100 0.048 0.000 0.780 246 G HN 0.317 nan 8.290 nan 0.000 0.565 247 N N 1.132 119.857 118.700 0.041 0.000 2.188 247 N HA -0.043 4.697 4.740 0.000 0.000 0.184 247 N C 2.281 177.738 175.510 -0.088 0.000 1.018 247 N CA 1.260 54.348 53.050 0.063 0.000 0.858 247 N CB -0.860 37.707 38.487 0.134 0.000 0.989 247 N HN 0.335 nan 8.380 nan 0.000 0.426 248 G N 1.010 109.630 108.800 -0.301 0.000 2.433 248 G HA2 -0.179 3.781 3.960 0.000 0.000 0.216 248 G HA3 -0.179 3.781 3.960 0.000 0.000 0.216 248 G C 1.701 176.072 174.900 -0.882 0.000 1.186 248 G CA 0.877 45.320 45.100 -1.095 0.000 0.779 248 G HN 0.162 nan 8.290 nan 0.000 0.543 249 V N 0.931 120.656 119.914 -0.314 0.000 2.250 249 V HA -0.219 3.901 4.120 0.000 0.000 0.250 249 V C 2.760 178.880 176.094 0.044 0.000 1.060 249 V CA 1.978 64.299 62.300 0.035 0.000 1.030 249 V CB -0.646 31.268 31.823 0.152 0.000 0.643 249 V HN 0.346 nan 8.190 nan 0.000 0.445 250 L N 0.440 121.676 121.223 0.022 0.000 2.079 250 L HA -0.140 4.200 4.340 0.000 0.000 0.210 250 L C 2.426 179.367 176.870 0.119 0.000 1.081 250 L CA 2.317 57.208 54.840 0.086 0.000 0.752 250 L CB -0.942 41.185 42.059 0.114 0.000 0.896 250 L HN 0.256 nan 8.230 nan 0.000 0.433 251 A N -0.339 122.511 122.820 0.050 0.000 1.851 251 A HA -0.234 4.086 4.320 0.000 0.000 0.216 251 A C 2.263 179.905 177.584 0.096 0.000 1.195 251 A CA 2.225 54.310 52.037 0.081 0.000 0.622 251 A CB -1.077 17.915 19.000 -0.013 0.000 0.831 251 A HN 0.479 nan 8.150 nan 0.000 0.444 252 L N -0.694 120.509 121.223 -0.034 0.000 2.013 252 L HA -0.249 4.091 4.340 0.000 0.000 0.212 252 L C 2.599 179.522 176.870 0.088 0.000 1.073 252 L CA 1.555 56.373 54.840 -0.037 0.000 0.753 252 L CB -0.624 41.224 42.059 -0.351 0.000 0.890 252 L HN 0.409 nan 8.230 nan 0.000 0.432 253 L N -0.700 120.620 121.223 0.163 0.000 2.201 253 L HA -0.131 4.209 4.340 0.000 0.000 0.212 253 L C 2.478 179.420 176.870 0.120 0.000 1.105 253 L CA 1.559 56.504 54.840 0.175 0.000 0.775 253 L CB -0.774 41.387 42.059 0.169 0.000 0.913 253 L HN 0.463 nan 8.230 nan 0.000 0.440 254 T N -5.238 109.405 114.554 0.148 0.000 3.081 254 T HA -0.003 4.347 4.350 0.000 0.000 0.250 254 T C 0.336 174.956 174.700 -0.134 0.000 1.100 254 T CA 0.108 62.239 62.100 0.052 0.000 1.038 254 T CB -0.221 68.695 68.868 0.079 0.000 0.962 254 T HN 0.245 nan 8.240 nan 0.000 0.516 255 H N 1.100 120.174 119.070 0.005 0.000 2.423 255 H HA 0.378 4.934 4.556 0.000 0.000 0.237 255 H C -2.257 173.057 175.328 -0.024 0.000 1.391 255 H CA -2.031 54.001 56.048 -0.026 0.000 1.453 255 H CB 1.298 31.011 29.762 -0.082 0.000 1.484 255 H HN 0.093 nan 8.280 nan 0.000 0.505 256 P HA -0.197 nan 4.420 nan 0.000 0.219 256 P C 1.373 178.688 177.300 0.025 0.000 1.146 256 P CA 1.273 64.394 63.100 0.035 0.000 0.808 256 P CB 0.431 32.142 31.700 0.019 0.000 0.779 257 D N -0.498 119.917 120.400 0.025 0.000 2.104 257 D HA -0.226 4.414 4.640 0.000 0.000 0.194 257 D C 1.612 177.911 176.300 -0.003 0.000 0.994 257 D CA 1.442 55.449 54.000 0.011 0.000 0.830 257 D CB -0.879 39.927 40.800 0.010 0.000 0.959 257 D HN 0.164 nan 8.370 nan 0.000 0.452 258 Q N 0.343 120.145 119.800 0.003 0.000 2.096 258 Q HA -0.033 4.307 4.340 0.000 0.000 0.197 258 Q C 2.416 178.383 176.000 -0.056 0.000 0.964 258 Q CA 0.603 56.381 55.803 -0.042 0.000 0.838 258 Q CB -0.385 28.310 28.738 -0.071 0.000 0.906 258 Q HN 0.465 nan 8.270 nan 0.000 0.444 259 R N 1.285 121.758 120.500 -0.044 0.000 2.094 259 R HA -0.220 4.120 4.340 0.000 0.000 0.239 259 R C 2.163 178.437 176.300 -0.044 0.000 1.137 259 R CA 2.000 58.048 56.100 -0.086 0.000 0.943 259 R CB -0.047 30.238 30.300 -0.024 0.000 0.850 259 R HN -0.033 nan 8.270 nan 0.000 0.433 260 K N 0.818 121.211 120.400 -0.011 0.000 2.059 260 K HA -0.167 4.153 4.320 0.000 0.000 0.212 260 K C 2.049 178.640 176.600 -0.015 0.000 1.050 260 K CA 1.829 58.114 56.287 -0.002 0.000 0.927 260 K CB -0.590 31.911 32.500 0.002 0.000 0.714 260 K HN 0.318 nan 8.250 nan 0.000 0.447 261 L N -0.037 121.168 121.223 -0.029 0.000 2.083 261 L HA -0.147 4.193 4.340 0.000 0.000 0.209 261 L C 2.242 179.087 176.870 -0.041 0.000 1.083 261 L CA 0.928 55.746 54.840 -0.037 0.000 0.752 261 L CB -0.237 41.792 42.059 -0.051 0.000 0.899 261 L HN 0.309 nan 8.230 nan 0.000 0.433 262 L N -0.597 120.593 121.223 -0.056 0.000 2.131 262 L HA -0.038 4.302 4.340 0.000 0.000 0.206 262 L C 2.555 179.411 176.870 -0.022 0.000 1.087 262 L CA 1.802 56.609 54.840 -0.055 0.000 0.767 262 L CB -0.622 41.380 42.059 -0.096 0.000 0.917 262 L HN 0.143 nan 8.230 nan 0.000 0.441 263 A N -0.304 122.510 122.820 -0.010 0.000 1.873 263 A HA -0.274 4.046 4.320 0.000 0.000 0.218 263 A C 2.165 179.760 177.584 0.018 0.000 1.193 263 A CA 2.188 54.240 52.037 0.025 0.000 0.629 263 A CB -0.753 18.271 19.000 0.041 0.000 0.826 263 A HN 0.623 nan 8.150 nan 0.000 0.447 264 E N -1.123 119.080 120.200 0.006 0.000 2.150 264 E HA -0.100 4.250 4.350 0.000 0.000 0.193 264 E C -0.153 176.447 176.600 -0.000 0.000 0.985 264 E CA 0.918 57.320 56.400 0.003 0.000 0.814 264 E CB 0.075 29.774 29.700 -0.002 0.000 0.752 264 E HN 0.461 nan 8.360 nan 0.000 0.466 265 D N -0.797 119.599 120.400 -0.007 0.000 2.378 265 D HA 0.137 4.777 4.640 0.000 0.000 0.265 265 D C -2.208 174.087 176.300 -0.008 0.000 1.229 265 D CA -2.359 51.636 54.000 -0.008 0.000 0.914 265 D CB 1.241 42.030 40.800 -0.017 0.000 1.140 265 D HN -0.227 nan 8.370 nan 0.000 0.516 266 P HA -0.101 nan 4.420 nan 0.000 0.222 266 P C 1.319 178.626 177.300 0.012 0.000 1.147 266 P CA 0.627 63.737 63.100 0.017 0.000 0.790 266 P CB 0.336 32.055 31.700 0.031 0.000 0.780 267 S N -0.921 114.782 115.700 0.005 0.000 2.547 267 S HA -0.041 4.429 4.470 0.000 0.000 0.235 267 S C 1.512 176.106 174.600 -0.011 0.000 0.980 267 S CA 0.437 58.639 58.200 0.002 0.000 0.941 267 S CB -1.124 62.076 63.200 0.001 0.000 0.763 267 S HN 0.068 nan 8.310 nan 0.000 0.532 268 L N 0.795 122.003 121.223 -0.024 0.000 2.610 268 L HA 0.124 4.464 4.340 0.000 0.000 0.232 268 L C 1.956 178.786 176.870 -0.066 0.000 1.149 268 L CA -0.036 54.773 54.840 -0.051 0.000 0.872 268 L CB -0.336 41.681 42.059 -0.070 0.000 0.992 268 L HN 0.365 nan 8.230 nan 0.000 0.447 269 I N -0.522 120.032 120.570 -0.028 0.000 2.226 269 I HA -0.264 3.906 4.170 0.000 0.000 0.245 269 I C 2.466 178.570 176.117 -0.022 0.000 1.100 269 I CA 1.517 62.813 61.300 -0.007 0.000 1.374 269 I CB -0.081 37.949 38.000 0.050 0.000 1.057 269 I HN 0.090 nan 8.210 nan 0.000 0.413 270 S N -0.453 115.242 115.700 -0.009 0.000 2.383 270 S HA -0.195 4.275 4.470 0.000 0.000 0.229 270 S C 2.180 176.757 174.600 -0.038 0.000 1.030 270 S CA 1.650 59.850 58.200 0.001 0.000 1.002 270 S CB -0.449 62.762 63.200 0.018 0.000 0.829 270 S HN 0.539 nan 8.310 nan 0.000 0.467 271 S N 0.839 116.495 115.700 -0.074 0.000 2.357 271 S HA 0.057 4.527 4.470 0.000 0.000 0.221 271 S C 2.208 176.663 174.600 -0.242 0.000 1.031 271 S CA 0.886 59.017 58.200 -0.114 0.000 0.982 271 S CB -0.427 62.710 63.200 -0.104 0.000 0.853 271 S HN 0.554 nan 8.310 nan 0.000 0.458 272 A N 0.828 123.448 122.820 -0.332 0.000 1.908 272 A HA -0.083 4.237 4.320 0.000 0.000 0.218 272 A C 2.275 179.249 177.584 -1.017 0.000 1.181 272 A CA 1.830 53.431 52.037 -0.726 0.000 0.627 272 A CB -1.035 17.616 19.000 -0.581 0.000 0.818 272 A HN 0.398 nan 8.150 nan 0.000 0.445 273 V N 0.323 120.000 119.914 -0.396 0.000 2.343 273 V HA -0.208 3.912 4.120 0.000 0.000 0.247 273 V C 2.539 178.528 176.094 -0.175 0.000 1.051 273 V CA 2.110 64.353 62.300 -0.094 0.000 1.036 273 V CB -0.680 31.189 31.823 0.077 0.000 0.654 273 V HN 0.540 nan 8.190 nan 0.000 0.451 274 E N -0.101 119.994 120.200 -0.176 0.000 2.110 274 E HA -0.249 4.101 4.350 0.000 0.000 0.193 274 E C 2.173 178.657 176.600 -0.193 0.000 0.988 274 E CA 1.411 57.722 56.400 -0.148 0.000 0.804 274 E CB -0.122 29.594 29.700 0.026 0.000 0.745 274 E HN 0.682 nan 8.360 nan 0.000 0.458 275 E N 0.242 120.281 120.200 -0.269 0.000 2.112 275 E HA -0.059 4.291 4.350 0.000 0.000 0.190 275 E C 1.861 178.397 176.600 -0.107 0.000 0.979 275 E CA 0.676 56.945 56.400 -0.218 0.000 0.814 275 E CB -0.357 29.136 29.700 -0.346 0.000 0.762 275 E HN 0.255 nan 8.360 nan 0.000 0.460 276 F N 0.316 120.224 119.950 -0.069 0.000 2.102 276 F HA -0.167 4.360 4.527 0.000 0.000 0.298 276 F C 2.132 177.892 175.800 -0.067 0.000 1.105 276 F CA 0.571 58.555 58.000 -0.027 0.000 1.239 276 F CB -0.284 38.693 39.000 -0.039 0.000 0.991 276 F HN 0.017 nan 8.300 nan 0.000 0.474 277 L N -0.052 121.099 121.223 -0.120 0.000 2.042 277 L HA -0.251 4.089 4.340 0.000 0.000 0.210 277 L C 2.677 179.413 176.870 -0.224 0.000 1.076 277 L CA 1.411 55.952 54.840 -0.498 0.000 0.749 277 L CB -0.604 40.560 42.059 -1.492 0.000 0.893 277 L HN 0.102 nan 8.230 nan 0.000 0.432 278 R N -0.346 120.136 120.500 -0.030 0.000 2.066 278 R HA -0.200 4.140 4.340 0.000 0.000 0.232 278 R C 2.427 178.906 176.300 0.299 0.000 1.131 278 R CA 1.742 58.053 56.100 0.352 0.000 0.955 278 R CB -0.358 30.204 30.300 0.437 0.000 0.851 278 R HN 0.240 nan 8.270 nan 0.000 0.432 279 F N 0.727 120.735 119.950 0.097 0.000 2.206 279 F HA -0.061 4.466 4.527 0.000 0.000 0.298 279 F C 0.266 176.103 175.800 0.063 0.000 1.090 279 F CA 1.200 59.231 58.000 0.051 0.000 1.323 279 F CB 0.265 39.270 39.000 0.008 0.000 1.028 279 F HN -0.028 nan 8.300 nan 0.000 0.492 280 D N 0.219 120.725 120.400 0.177 0.000 2.621 280 D HA 0.168 4.808 4.640 0.000 0.000 0.274 280 D C -0.951 175.455 176.300 0.175 0.000 1.215 280 D CA -0.090 54.005 54.000 0.159 0.000 0.810 280 D CB 0.518 41.449 40.800 0.219 0.000 1.248 280 D HN -0.127 nan 8.370 nan 0.000 0.517 281 S N 2.143 117.942 115.700 0.165 0.000 2.544 281 S HA 0.072 4.542 4.470 0.000 0.000 0.290 281 S C -1.425 173.241 174.600 0.110 0.000 1.276 281 S CA -0.661 57.613 58.200 0.123 0.000 1.075 281 S CB 1.220 64.509 63.200 0.147 0.000 0.849 281 S HN 0.359 nan 8.310 nan 0.000 0.494 282 P HA -0.020 nan 4.420 nan 0.000 0.217 282 P C -0.108 177.259 177.300 0.112 0.000 1.150 282 P CA 0.617 63.776 63.100 0.098 0.000 0.832 282 P CB 0.134 31.875 31.700 0.069 0.000 0.787 283 V N 0.937 120.909 119.914 0.096 0.000 2.348 283 V HA 0.086 4.206 4.120 0.000 0.000 0.270 283 V C 1.496 177.659 176.094 0.116 0.000 1.037 283 V CA 0.298 62.665 62.300 0.112 0.000 0.872 283 V CB 0.649 32.534 31.823 0.103 0.000 1.002 283 V HN 0.130 nan 8.190 nan 0.000 0.464 284 S N 3.890 119.677 115.700 0.145 0.000 2.388 284 S HA 0.094 4.564 4.470 0.000 0.000 0.223 284 S C 0.584 175.253 174.600 0.115 0.000 1.034 284 S CA 0.003 58.292 58.200 0.148 0.000 0.963 284 S CB 0.064 63.412 63.200 0.247 0.000 0.827 284 S HN 0.670 nan 8.310 nan 0.000 0.481 285 Q N 0.611 120.498 119.800 0.145 0.000 2.337 285 Q HA 0.767 5.107 4.340 0.000 0.000 0.270 285 Q C -0.818 175.218 176.000 0.060 0.000 1.043 285 Q CA -0.178 55.678 55.803 0.087 0.000 0.794 285 Q CB 1.922 30.729 28.738 0.114 0.000 1.281 285 Q HN 0.472 nan 8.270 nan 0.000 0.446 286 A N 3.523 126.359 122.820 0.027 0.000 2.498 286 A HA 0.447 4.767 4.320 0.000 0.000 0.239 286 A C -2.091 175.478 177.584 -0.025 0.000 1.068 286 A CA -0.866 51.193 52.037 0.036 0.000 0.766 286 A CB -0.516 18.511 19.000 0.045 0.000 1.003 286 A HN 0.487 nan 8.150 nan 0.000 0.497 287 P HA 0.025 nan 4.420 nan 0.000 0.266 287 P C 0.268 177.494 177.300 -0.123 0.000 1.186 287 P CA 0.307 63.376 63.100 -0.052 0.000 0.767 287 P CB 0.092 31.769 31.700 -0.039 0.000 0.820 288 I N -0.289 120.180 120.570 -0.169 0.000 2.892 288 I HA 0.218 4.388 4.170 0.000 0.000 0.287 288 I C 0.323 176.185 176.117 -0.425 0.000 1.205 288 I CA -0.085 61.024 61.300 -0.318 0.000 1.409 288 I CB 0.407 38.155 38.000 -0.419 0.000 1.367 288 I HN 0.254 nan 8.210 nan 0.000 0.597 289 R N 3.238 123.438 120.500 -0.501 0.000 2.902 289 R HA 0.718 5.059 4.340 0.000 0.000 0.258 289 R C -1.573 174.346 176.300 -0.635 0.000 1.071 289 R CA -0.669 55.182 56.100 -0.414 0.000 1.024 289 R CB 1.858 32.023 30.300 -0.225 0.000 1.184 289 R HN 0.536 nan 8.270 nan 0.000 0.492 290 F N -0.242 119.713 119.950 0.008 0.000 2.518 290 F HA 0.245 4.772 4.527 0.000 0.000 0.323 290 F C 0.244 176.006 175.800 -0.062 0.000 1.129 290 F CA -0.984 57.034 58.000 0.031 0.000 0.920 290 F CB 2.179 41.268 39.000 0.147 0.000 1.160 290 F HN 0.402 nan 8.300 nan 0.000 0.440 291 T N -0.256 114.326 114.554 0.047 0.000 2.769 291 T HA 0.399 4.749 4.350 0.000 0.000 0.293 291 T C 0.934 175.558 174.700 -0.127 0.000 0.931 291 T CA -0.224 61.838 62.100 -0.064 0.000 1.139 291 T CB 1.361 70.166 68.868 -0.105 0.000 0.881 291 T HN 0.769 nan 8.240 nan 0.000 0.532 292 A N 3.423 126.051 122.820 -0.319 0.000 1.968 292 A HA 0.158 4.478 4.320 0.000 0.000 0.217 292 A C 0.926 178.406 177.584 -0.173 0.000 1.169 292 A CA 0.574 52.295 52.037 -0.526 0.000 0.638 292 A CB -0.146 18.465 19.000 -0.648 0.000 0.812 292 A HN 0.886 nan 8.150 nan 0.000 0.446 293 E N -0.631 119.498 120.200 -0.118 0.000 2.433 293 E HA 0.344 4.694 4.350 0.000 0.000 0.273 293 E C -1.639 174.916 176.600 -0.074 0.000 0.950 293 E CA -1.188 55.172 56.400 -0.067 0.000 0.796 293 E CB 0.822 30.489 29.700 -0.055 0.000 1.330 293 E HN 0.091 nan 8.360 nan 0.000 0.455 294 D N 1.206 121.566 120.400 -0.067 0.000 2.506 294 D HA 0.179 4.819 4.640 0.000 0.000 0.234 294 D C -0.463 175.783 176.300 -0.090 0.000 1.143 294 D CA 0.364 54.313 54.000 -0.086 0.000 0.871 294 D CB 0.782 41.538 40.800 -0.073 0.000 1.190 294 D HN 0.228 nan 8.370 nan 0.000 0.459 295 V N -0.895 118.956 119.914 -0.105 0.000 3.007 295 V HA 0.766 4.886 4.120 0.000 0.000 0.311 295 V C -0.341 175.688 176.094 -0.109 0.000 1.120 295 V CA -0.716 61.532 62.300 -0.086 0.000 0.980 295 V CB 2.365 34.210 31.823 0.037 0.000 1.033 295 V HN 0.413 nan 8.190 nan 0.000 0.429 296 T N 3.605 118.032 114.554 -0.211 0.000 2.812 296 T HA 0.742 5.092 4.350 0.000 0.000 0.282 296 T C -1.471 173.006 174.700 -0.372 0.000 0.990 296 T CA -0.060 61.924 62.100 -0.192 0.000 0.960 296 T CB 0.943 69.720 68.868 -0.151 0.000 0.948 296 T HN 0.688 nan 8.240 nan 0.000 0.438 297 Y N 0.599 120.858 120.300 -0.068 0.000 2.406 297 Y HA 0.374 4.924 4.550 0.000 0.000 0.340 297 Y C 0.949 176.841 175.900 -0.014 0.000 0.975 297 Y CA -0.929 57.145 58.100 -0.042 0.000 1.056 297 Y CB 2.016 40.444 38.460 -0.053 0.000 1.210 297 Y HN 0.759 nan 8.280 nan 0.000 0.448 298 S N 2.288 118.057 115.700 0.116 0.000 3.549 298 S HA -0.215 4.255 4.470 0.000 0.000 0.366 298 S C 1.275 175.913 174.600 0.064 0.000 1.012 298 S CA 1.382 59.634 58.200 0.087 0.000 1.141 298 S CB -1.475 61.789 63.200 0.107 0.000 0.910 298 S HN 1.681 nan 8.310 nan 0.000 0.471 299 G N -1.987 106.833 108.800 0.033 0.000 2.179 299 G HA2 -0.294 3.666 3.960 0.000 0.000 0.260 299 G HA3 -0.294 3.666 3.960 0.000 0.000 0.260 299 G C 0.073 174.994 174.900 0.035 0.000 0.977 299 G CA 0.048 45.163 45.100 0.025 0.000 0.641 299 G HN 1.252 nan 8.290 nan 0.000 0.533 300 V N 1.861 121.808 119.914 0.054 0.000 2.370 300 V HA 0.555 4.675 4.120 0.000 0.000 0.283 300 V C 0.542 176.631 176.094 -0.008 0.000 1.023 300 V CA -0.121 62.217 62.300 0.062 0.000 0.857 300 V CB 1.554 33.461 31.823 0.139 0.000 0.985 300 V HN 0.246 nan 8.190 nan 0.000 0.443 301 T N 6.791 121.319 114.554 -0.043 0.000 2.749 301 T HA 0.511 4.862 4.350 0.000 0.000 0.295 301 T C 0.082 174.624 174.700 -0.264 0.000 0.936 301 T CA 0.042 62.074 62.100 -0.113 0.000 1.060 301 T CB 0.237 69.061 68.868 -0.075 0.000 0.904 301 T HN 0.392 nan 8.240 nan 0.000 0.500 302 I N 6.688 127.010 120.570 -0.413 0.000 2.312 302 I HA 0.254 4.424 4.170 0.000 0.000 0.291 302 I C -2.000 173.881 176.117 -0.393 0.000 1.031 302 I CA -2.497 58.351 61.300 -0.753 0.000 1.293 302 I CB 0.930 38.362 38.000 -0.946 0.000 1.403 302 I HN 0.316 nan 8.210 nan 0.000 0.484 303 P HA 0.047 nan 4.420 nan 0.000 0.271 303 P C -0.402 176.834 177.300 -0.107 0.000 1.233 303 P CA -0.359 62.666 63.100 -0.124 0.000 0.789 303 P CB 0.509 32.190 31.700 -0.032 0.000 0.951 304 A N 1.332 124.120 122.820 -0.054 0.000 2.498 304 A HA 0.435 4.755 4.320 0.000 0.000 0.239 304 A C 1.378 178.975 177.584 0.022 0.000 1.068 304 A CA 0.727 52.749 52.037 -0.026 0.000 0.766 304 A CB -1.419 17.575 19.000 -0.010 0.000 1.003 304 A HN 0.883 nan 8.150 nan 0.000 0.497 305 G N 0.779 109.617 108.800 0.062 0.000 2.141 305 G HA2 -0.139 3.821 3.960 0.000 0.000 0.231 305 G HA3 -0.139 3.821 3.960 0.000 0.000 0.231 305 G C -0.092 174.907 174.900 0.165 0.000 0.984 305 G CA 0.272 45.448 45.100 0.127 0.000 0.660 305 G HN 0.776 nan 8.290 nan 0.000 0.525 306 E N -0.069 120.206 120.200 0.126 0.000 2.227 306 E HA 0.639 4.989 4.350 0.000 0.000 0.268 306 E C 0.658 177.342 176.600 0.141 0.000 0.990 306 E CA -0.596 55.895 56.400 0.153 0.000 0.856 306 E CB 0.955 30.683 29.700 0.045 0.000 1.159 306 E HN 0.395 nan 8.360 nan 0.000 0.401 307 M N 1.135 120.827 119.600 0.152 0.000 2.233 307 M HA 0.346 4.827 4.480 0.000 0.000 0.355 307 M C -0.571 175.726 176.300 -0.006 0.000 1.191 307 M CA -0.731 54.536 55.300 -0.057 0.000 1.101 307 M CB 1.282 33.849 32.600 -0.055 0.000 1.592 307 M HN 0.033 nan 8.290 nan 0.000 0.461 308 V N 4.235 124.043 119.914 -0.177 0.000 2.524 308 V HA 0.442 4.562 4.120 0.000 0.000 0.297 308 V C -0.468 175.507 176.094 -0.197 0.000 1.035 308 V CA -0.637 61.588 62.300 -0.125 0.000 0.867 308 V CB 1.777 33.491 31.823 -0.181 0.000 1.004 308 V HN 0.894 nan 8.190 nan 0.000 0.426 309 M N 5.221 124.736 119.600 -0.141 0.000 2.264 309 M HA 0.570 5.050 4.480 0.000 0.000 0.352 309 M C -0.777 175.415 176.300 -0.181 0.000 1.173 309 M CA -0.395 54.810 55.300 -0.158 0.000 1.075 309 M CB 1.588 34.122 32.600 -0.110 0.000 1.621 309 M HN 0.399 nan 8.290 nan 0.000 0.457 310 L N 2.373 123.450 121.223 -0.245 0.000 2.257 310 L HA 0.392 4.732 4.340 0.000 0.000 0.290 310 L C 0.786 177.551 176.870 -0.174 0.000 1.044 310 L CA -0.597 54.060 54.840 -0.306 0.000 0.810 310 L CB 0.807 42.510 42.059 -0.594 0.000 1.193 310 L HN 0.874 nan 8.230 nan 0.000 0.425 311 G N 4.381 113.093 108.800 -0.147 0.000 2.605 311 G HA2 0.285 4.245 3.960 0.000 0.000 0.301 311 G HA3 0.285 4.245 3.960 0.000 0.000 0.301 311 G C 0.919 175.715 174.900 -0.172 0.000 0.881 311 G CA -0.385 44.628 45.100 -0.145 0.000 1.553 311 G HN 0.651 nan 8.290 nan 0.000 0.483 312 L N 2.306 123.468 121.223 -0.102 0.000 2.023 312 L HA -0.079 4.261 4.340 0.000 0.000 0.205 312 L C 3.193 180.023 176.870 -0.067 0.000 1.073 312 L CA 1.304 56.120 54.840 -0.040 0.000 0.745 312 L CB -0.613 41.479 42.059 0.055 0.000 0.900 312 L HN 0.508 nan 8.230 nan 0.000 0.435 313 A N 0.478 123.224 122.820 -0.123 0.000 1.917 313 A HA -0.234 4.086 4.320 0.000 0.000 0.219 313 A C 2.552 179.990 177.584 -0.243 0.000 1.182 313 A CA 2.118 54.083 52.037 -0.120 0.000 0.633 313 A CB -0.802 18.152 19.000 -0.076 0.000 0.819 313 A HN 0.429 nan 8.150 nan 0.000 0.448 314 A N -0.129 122.290 122.820 -0.668 0.000 1.851 314 A HA 0.107 4.427 4.320 0.000 0.000 0.216 314 A C 2.584 180.120 177.584 -0.081 0.000 1.195 314 A CA 2.554 54.330 52.037 -0.436 0.000 0.622 314 A CB -1.339 17.339 19.000 -0.536 0.000 0.831 314 A HN 1.271 nan 8.150 nan 0.000 0.444 315 A N -0.007 122.771 122.820 -0.071 0.000 1.927 315 A HA -0.255 4.065 4.320 0.000 0.000 0.220 315 A C 1.821 179.515 177.584 0.183 0.000 1.185 315 A CA 2.057 54.122 52.037 0.047 0.000 0.639 315 A CB -0.714 18.250 19.000 -0.060 0.000 0.820 315 A HN 0.560 nan 8.150 nan 0.000 0.451 316 N N -0.752 118.044 118.700 0.160 0.000 2.515 316 N HA -0.000 4.740 4.740 0.000 0.000 0.185 316 N C 0.833 176.581 175.510 0.396 0.000 1.109 316 N CA 0.468 53.709 53.050 0.317 0.000 0.903 316 N CB -0.049 38.625 38.487 0.313 0.000 0.969 316 N HN 0.495 nan 8.380 nan 0.000 0.450 317 R N 0.348 121.002 120.500 0.256 0.000 2.700 317 R HA 0.116 4.456 4.340 0.000 0.000 0.377 317 R C -0.627 175.787 176.300 0.189 0.000 1.130 317 R CA -0.300 55.920 56.100 0.201 0.000 1.055 317 R CB 0.389 30.757 30.300 0.114 0.000 1.387 317 R HN -0.010 nan 8.270 nan 0.000 0.580 318 D N 0.397 120.951 120.400 0.256 0.000 2.316 318 D HA 0.146 4.786 4.640 0.000 0.000 0.245 318 D C 0.918 177.327 176.300 0.181 0.000 1.171 318 D CA -0.104 54.023 54.000 0.212 0.000 0.856 318 D CB 1.605 42.561 40.800 0.260 0.000 1.090 318 D HN 0.203 nan 8.370 nan 0.000 0.476 319 A N 4.180 127.067 122.820 0.110 0.000 2.015 319 A HA -0.157 4.163 4.320 0.000 0.000 0.219 319 A C 1.591 179.202 177.584 0.044 0.000 1.163 319 A CA 0.950 53.020 52.037 0.055 0.000 0.646 319 A CB -0.084 18.942 19.000 0.042 0.000 0.806 319 A HN 0.577 nan 8.150 nan 0.000 0.448 320 D N -2.001 118.450 120.400 0.085 0.000 2.309 320 D HA -0.142 4.498 4.640 0.000 0.000 0.212 320 D C 1.346 177.703 176.300 0.096 0.000 0.968 320 D CA 1.077 55.130 54.000 0.087 0.000 0.882 320 D CB -0.127 40.743 40.800 0.116 0.000 0.918 320 D HN 0.853 nan 8.370 nan 0.000 0.503 321 W N -0.006 121.199 121.300 -0.158 0.000 3.033 321 W HA 0.265 4.925 4.660 -0.000 0.000 0.250 321 W C -0.071 176.303 176.519 -0.242 0.000 1.105 321 W CA -0.163 56.976 57.345 -0.343 0.000 1.655 321 W CB 0.273 29.230 29.460 -0.838 0.000 1.001 321 W HN -0.271 nan 8.180 nan 0.000 0.653 322 M N 3.837 123.200 119.600 -0.395 0.000 2.125 322 M HA 0.454 4.934 4.480 0.000 0.000 0.321 322 M C -2.680 173.468 176.300 -0.253 0.000 0.983 322 M CA -3.125 51.816 55.300 -0.597 0.000 0.934 322 M CB 1.320 33.565 32.600 -0.591 0.000 1.542 322 M HN -0.258 nan 8.290 nan 0.000 0.424 323 P HA 0.047 nan 4.420 nan 0.000 0.268 323 P C -0.924 176.323 177.300 -0.088 0.000 1.205 323 P CA 0.502 63.526 63.100 -0.126 0.000 0.771 323 P CB 0.242 31.868 31.700 -0.122 0.000 0.858 324 E N 1.632 121.806 120.200 -0.043 0.000 2.197 324 E HA -0.181 4.169 4.350 0.000 0.000 0.184 324 E C -1.238 175.365 176.600 0.005 0.000 1.439 324 E CA -0.178 56.214 56.400 -0.013 0.000 0.688 324 E CB -0.809 28.882 29.700 -0.016 0.000 1.090 324 E HN 0.520 nan 8.360 nan 0.000 0.341 325 P HA -0.166 nan 4.420 nan 0.000 0.218 325 P C 0.622 177.984 177.300 0.104 0.000 1.149 325 P CA 1.128 64.258 63.100 0.051 0.000 0.817 325 P CB 0.251 31.995 31.700 0.073 0.000 0.785 326 D N -0.730 119.727 120.400 0.095 0.000 2.363 326 D HA -0.020 4.620 4.640 0.000 0.000 0.226 326 D C 1.127 177.587 176.300 0.267 0.000 1.020 326 D CA 0.459 54.540 54.000 0.134 0.000 0.892 326 D CB -0.313 40.535 40.800 0.080 0.000 0.900 326 D HN 0.253 nan 8.370 nan 0.000 0.531 327 R N 1.163 121.766 120.500 0.172 0.000 2.312 327 R HA 0.264 4.604 4.340 0.000 0.000 0.311 327 R C -0.449 175.834 176.300 -0.029 0.000 1.004 327 R CA -0.561 55.596 56.100 0.095 0.000 0.902 327 R CB 0.758 31.073 30.300 0.026 0.000 1.073 327 R HN -0.016 nan 8.270 nan 0.000 0.457 328 L N 4.465 125.493 121.223 -0.325 0.000 2.361 328 L HA 0.196 4.536 4.340 0.000 0.000 0.278 328 L C -0.984 175.683 176.870 -0.338 0.000 1.113 328 L CA 0.447 54.890 54.840 -0.662 0.000 0.849 328 L CB 0.816 42.107 42.059 -1.280 0.000 1.155 328 L HN 0.785 nan 8.230 nan 0.000 0.452 329 D N 5.095 125.335 120.400 -0.266 0.000 2.330 329 D HA 0.130 4.770 4.640 0.000 0.000 0.249 329 D C 0.878 177.048 176.300 -0.216 0.000 1.306 329 D CA -0.480 53.405 54.000 -0.192 0.000 0.956 329 D CB 0.805 41.525 40.800 -0.132 0.000 1.261 329 D HN 0.554 nan 8.370 nan 0.000 0.544 330 I N 0.331 120.753 120.570 -0.247 0.000 3.241 330 I HA 0.035 4.205 4.170 0.000 0.000 0.280 330 I C 1.210 177.203 176.117 -0.206 0.000 1.320 330 I CA 0.648 61.772 61.300 -0.294 0.000 1.413 330 I CB -0.009 37.792 38.000 -0.333 0.000 1.060 330 I HN 0.164 nan 8.210 nan 0.000 0.500 331 T N 0.606 115.069 114.554 -0.153 0.000 3.040 331 T HA 0.223 4.573 4.350 0.000 0.000 0.250 331 T C 0.942 175.582 174.700 -0.099 0.000 1.058 331 T CA -0.304 61.729 62.100 -0.112 0.000 0.988 331 T CB -0.079 68.736 68.868 -0.088 0.000 0.993 331 T HN 0.338 nan 8.240 nan 0.000 0.519 332 R N 2.336 122.768 120.500 -0.113 0.000 2.583 332 R HA 0.008 4.348 4.340 0.000 0.000 0.274 332 R C -0.338 175.917 176.300 -0.075 0.000 0.998 332 R CA 0.226 56.266 56.100 -0.101 0.000 1.081 332 R CB 0.203 30.434 30.300 -0.116 0.000 0.940 332 R HN 0.193 nan 8.270 nan 0.000 0.413 333 D N 2.049 122.409 120.400 -0.067 0.000 2.639 333 D HA 0.195 4.835 4.640 0.000 0.000 0.233 333 D C -0.704 175.574 176.300 -0.037 0.000 1.161 333 D CA 0.016 53.993 54.000 -0.039 0.000 1.003 333 D CB 0.436 41.214 40.800 -0.038 0.000 1.034 333 D HN 0.500 nan 8.370 nan 0.000 0.514 334 A N 1.233 124.049 122.820 -0.008 0.000 2.304 334 A HA 0.597 4.917 4.320 0.000 0.000 0.301 334 A C 0.058 177.721 177.584 0.131 0.000 1.132 334 A CA -0.421 51.627 52.037 0.018 0.000 0.819 334 A CB 1.271 20.309 19.000 0.063 0.000 1.094 334 A HN 0.283 nan 8.150 nan 0.000 0.492 335 S N -0.428 115.388 115.700 0.193 0.000 2.548 335 S HA 0.593 5.063 4.470 0.000 0.000 0.276 335 S C 0.310 175.157 174.600 0.410 0.000 1.129 335 S CA 0.467 58.815 58.200 0.246 0.000 0.931 335 S CB 1.282 64.574 63.200 0.154 0.000 1.068 335 S HN 2.518 nan 8.310 nan 0.000 0.480 336 G N 2.489 111.459 108.800 0.284 0.000 2.160 336 G HA2 -0.143 3.817 3.960 0.000 0.000 0.244 336 G HA3 -0.143 3.817 3.960 0.000 0.000 0.244 336 G C 0.480 175.382 174.900 0.004 0.000 1.022 336 G CA -0.059 45.141 45.100 0.167 0.000 0.741 336 G HN 1.148 nan 8.290 nan 0.000 0.508 337 G N -1.149 107.641 108.800 -0.017 0.000 2.554 337 G HA2 0.541 4.501 3.960 0.000 0.000 0.238 337 G HA3 0.541 4.501 3.960 0.000 0.000 0.238 337 G C 1.181 175.602 174.900 -0.798 0.000 1.259 337 G CA 0.502 45.317 45.100 -0.474 0.000 0.843 337 G HN 1.506 nan 8.290 nan 0.000 0.582 338 V N 0.014 119.544 119.914 -0.640 0.000 3.376 338 V HA 0.206 4.326 4.120 0.000 0.000 0.313 338 V C 1.684 177.606 176.094 -0.286 0.000 1.393 338 V CA 0.308 62.353 62.300 -0.424 0.000 1.125 338 V CB -1.265 30.406 31.823 -0.254 0.000 1.037 338 V HN 0.648 nan 8.190 nan 0.000 0.440 339 F N -0.700 119.209 119.950 -0.068 0.000 2.307 339 F HA 0.187 4.714 4.527 0.000 0.000 0.301 339 F C 1.556 177.168 175.800 -0.313 0.000 1.076 339 F CA 0.823 58.709 58.000 -0.189 0.000 1.383 339 F CB -1.244 37.586 39.000 -0.284 0.000 1.055 339 F HN 0.212 nan 8.300 nan 0.000 0.526 340 F N 0.598 120.545 119.950 -0.006 0.000 2.654 340 F HA 0.518 5.045 4.527 0.000 0.000 0.303 340 F C 1.561 177.082 175.800 -0.466 0.000 1.099 340 F CA 0.009 57.866 58.000 -0.239 0.000 1.270 340 F CB 0.215 38.958 39.000 -0.427 0.000 1.024 340 F HN 0.274 nan 8.300 nan 0.000 0.548 341 G N 0.942 109.605 108.800 -0.229 0.000 2.553 341 G HA2 -0.223 3.737 3.960 0.000 0.000 0.242 341 G HA3 -0.223 3.737 3.960 0.000 0.000 0.242 341 G C -1.176 173.402 174.900 -0.536 0.000 1.277 341 G CA -0.050 44.605 45.100 -0.741 0.000 0.910 341 G HN 0.611 nan 8.290 nan 0.000 0.576 342 H N -1.098 117.494 119.070 -0.797 0.000 3.120 342 H HA 0.650 5.206 4.556 -0.000 0.000 0.314 342 H C 0.461 175.665 175.328 -0.207 0.000 1.151 342 H CA 1.904 57.730 56.048 -0.370 0.000 1.404 342 H CB 0.811 30.304 29.762 -0.448 0.000 2.031 342 H HN 2.710 nan 8.280 nan 0.000 0.513 343 G N 2.460 110.948 108.800 -0.520 0.000 2.484 343 G HA2 -0.225 3.735 3.960 0.000 0.000 0.225 343 G HA3 -0.225 3.735 3.960 0.000 0.000 0.225 343 G C 1.210 176.035 174.900 -0.125 0.000 1.250 343 G CA 0.286 45.177 45.100 -0.350 0.000 0.926 343 G HN 1.321 nan 8.290 nan 0.000 0.581 344 I N -2.516 117.984 120.570 -0.116 0.000 2.676 344 I HA 0.164 4.334 4.170 0.000 0.000 0.259 344 I C 1.700 177.722 176.117 -0.159 0.000 1.194 344 I CA 1.643 62.864 61.300 -0.132 0.000 1.473 344 I CB -0.257 37.608 38.000 -0.225 0.000 1.096 344 I HN 0.455 nan 8.210 nan 0.000 0.443 345 H N 0.846 119.909 119.070 -0.012 0.000 2.526 345 H HA 0.198 4.754 4.556 0.000 0.000 0.274 345 H C 0.123 175.482 175.328 0.051 0.000 0.999 345 H CA -0.470 55.590 56.048 0.019 0.000 1.157 345 H CB -0.239 29.510 29.762 -0.023 0.000 1.407 345 H HN 0.342 nan 8.280 nan 0.000 0.568 346 F N 2.015 121.954 119.950 -0.017 0.000 2.623 346 F HA -0.106 4.421 4.527 0.000 0.000 0.386 346 F C 0.935 176.727 175.800 -0.014 0.000 1.068 346 F CA -0.374 57.592 58.000 -0.057 0.000 1.265 346 F CB 0.406 39.352 39.000 -0.089 0.000 1.026 346 F HN 0.130 nan 8.300 nan 0.000 0.568 347 C N 8.799 127.639 119.300 -0.766 0.000 2.155 347 C HA -0.100 4.360 4.460 0.000 0.000 0.396 347 C C 1.734 176.516 174.990 -0.348 0.000 1.545 347 C CA -0.026 58.684 59.018 -0.513 0.000 1.442 347 C CB -1.773 25.625 27.740 -0.571 0.000 2.553 347 C HN 1.034 nan 8.230 nan 0.000 0.598 348 L N 6.061 127.165 121.223 -0.198 0.000 2.093 348 L HA 0.186 4.526 4.340 0.000 0.000 0.208 348 L C 2.183 178.936 176.870 -0.195 0.000 1.085 348 L CA 2.407 57.134 54.840 -0.188 0.000 0.755 348 L CB -0.481 41.383 42.059 -0.324 0.000 0.904 348 L HN 0.861 nan 8.230 nan 0.000 0.435 349 G N -1.818 106.850 108.800 -0.221 0.000 3.314 349 G HA2 0.222 4.183 3.960 0.000 0.000 0.238 349 G HA3 0.222 4.183 3.960 0.000 0.000 0.238 349 G C 1.419 176.196 174.900 -0.205 0.000 1.184 349 G CA 0.430 45.469 45.100 -0.102 0.000 0.806 349 G HN 0.560 nan 8.290 nan 0.000 0.536 350 A N 0.495 123.041 122.820 -0.456 0.000 1.869 350 A HA -0.202 4.119 4.320 0.000 0.000 0.218 350 A C 2.365 179.731 177.584 -0.363 0.000 1.203 350 A CA 1.820 53.319 52.037 -0.896 0.000 0.638 350 A CB -0.344 18.146 19.000 -0.850 0.000 0.831 350 A HN 0.337 nan 8.150 nan 0.000 0.450 351 Q N -1.152 118.581 119.800 -0.112 0.000 2.050 351 Q HA -0.149 4.191 4.340 0.000 0.000 0.202 351 Q C 2.159 178.176 176.000 0.027 0.000 0.980 351 Q CA 1.511 57.315 55.803 0.000 0.000 0.840 351 Q CB -0.734 28.025 28.738 0.035 0.000 0.898 351 Q HN 0.560 nan 8.270 nan 0.000 0.424 352 L N 0.740 121.988 121.223 0.042 0.000 1.978 352 L HA -0.227 4.113 4.340 0.000 0.000 0.218 352 L C 2.173 179.083 176.870 0.068 0.000 1.075 352 L CA 2.562 57.440 54.840 0.064 0.000 0.767 352 L CB -1.209 40.919 42.059 0.114 0.000 0.890 352 L HN 0.186 nan 8.230 nan 0.000 0.434 353 A N -0.808 122.058 122.820 0.076 0.000 1.883 353 A HA -0.253 4.067 4.320 0.000 0.000 0.217 353 A C 2.400 180.098 177.584 0.191 0.000 1.186 353 A CA 1.983 54.114 52.037 0.157 0.000 0.624 353 A CB -0.573 18.599 19.000 0.287 0.000 0.822 353 A HN 0.524 nan 8.150 nan 0.000 0.444 354 R N -0.574 120.047 120.500 0.201 0.000 2.080 354 R HA -0.107 4.233 4.340 0.000 0.000 0.236 354 R C 2.150 178.523 176.300 0.123 0.000 1.137 354 R CA 1.706 57.918 56.100 0.187 0.000 0.943 354 R CB -0.621 29.789 30.300 0.183 0.000 0.846 354 R HN 0.528 nan 8.270 nan 0.000 0.431 355 L N 0.595 121.872 121.223 0.091 0.000 2.012 355 L HA -0.233 4.108 4.340 0.000 0.000 0.210 355 L C 2.358 179.267 176.870 0.064 0.000 1.073 355 L CA 1.596 56.477 54.840 0.068 0.000 0.748 355 L CB -0.508 41.580 42.059 0.048 0.000 0.891 355 L HN 0.290 nan 8.230 nan 0.000 0.431 356 E N -0.105 120.130 120.200 0.058 0.000 2.058 356 E HA -0.197 4.153 4.350 0.000 0.000 0.194 356 E C 2.188 178.819 176.600 0.051 0.000 0.997 356 E CA 1.170 57.591 56.400 0.035 0.000 0.801 356 E CB -0.359 29.353 29.700 0.020 0.000 0.746 356 E HN 0.576 nan 8.360 nan 0.000 0.450 357 G N 0.976 109.828 108.800 0.086 0.000 2.418 357 G HA2 -0.270 3.690 3.960 0.000 0.000 0.217 357 G HA3 -0.270 3.690 3.960 0.000 0.000 0.217 357 G C 1.501 176.483 174.900 0.137 0.000 1.158 357 G CA 0.670 45.838 45.100 0.114 0.000 0.771 357 G HN 0.087 nan 8.290 nan 0.000 0.545 358 R N -0.169 120.405 120.500 0.125 0.000 2.070 358 R HA -0.037 4.303 4.340 0.000 0.000 0.232 358 R C 2.697 179.068 176.300 0.118 0.000 1.138 358 R CA 1.383 57.555 56.100 0.120 0.000 0.936 358 R CB -0.922 29.433 30.300 0.092 0.000 0.839 358 R HN 0.240 nan 8.270 nan 0.000 0.429 359 V N 1.324 121.295 119.914 0.095 0.000 2.220 359 V HA -0.343 3.777 4.120 0.000 0.000 0.250 359 V C 2.490 178.663 176.094 0.133 0.000 1.056 359 V CA 2.215 64.571 62.300 0.094 0.000 1.016 359 V CB -0.974 30.886 31.823 0.062 0.000 0.639 359 V HN 0.527 nan 8.190 nan 0.000 0.446 360 A N -0.379 122.513 122.820 0.120 0.000 1.883 360 A HA -0.209 4.111 4.320 0.000 0.000 0.217 360 A C 2.164 179.937 177.584 0.314 0.000 1.186 360 A CA 2.357 54.500 52.037 0.178 0.000 0.624 360 A CB -0.614 18.401 19.000 0.025 0.000 0.822 360 A HN 0.547 nan 8.150 nan 0.000 0.444 361 I N -0.693 120.029 120.570 0.253 0.000 2.286 361 I HA -0.098 4.073 4.170 0.000 0.000 0.245 361 I C 2.676 178.984 176.117 0.319 0.000 1.104 361 I CA 0.836 62.316 61.300 0.300 0.000 1.397 361 I CB -0.628 37.516 38.000 0.239 0.000 1.072 361 I HN 0.393 nan 8.210 nan 0.000 0.417 362 G N 1.572 110.509 108.800 0.228 0.000 2.524 362 G HA2 -0.212 3.748 3.960 0.000 0.000 0.215 362 G HA3 -0.212 3.748 3.960 0.000 0.000 0.215 362 G C 1.674 176.687 174.900 0.189 0.000 1.239 362 G CA 0.432 45.643 45.100 0.186 0.000 0.798 362 G HN 0.174 nan 8.290 nan 0.000 0.557 363 R N 0.349 120.946 120.500 0.162 0.000 2.127 363 R HA -0.032 4.309 4.340 0.000 0.000 0.238 363 R C 2.427 178.784 176.300 0.094 0.000 1.134 363 R CA 1.038 57.214 56.100 0.127 0.000 0.975 363 R CB -1.519 28.854 30.300 0.122 0.000 0.865 363 R HN 0.457 nan 8.270 nan 0.000 0.447 364 L N 0.372 121.660 121.223 0.108 0.000 2.017 364 L HA -0.070 4.270 4.340 0.000 0.000 0.208 364 L C 2.090 178.883 176.870 -0.127 0.000 1.073 364 L CA 1.662 56.440 54.840 -0.104 0.000 0.745 364 L CB -0.591 41.343 42.059 -0.207 0.000 0.894 364 L HN -0.065 nan 8.230 nan 0.000 0.432 365 F N -0.191 119.752 119.950 -0.012 0.000 2.259 365 F HA -0.023 4.504 4.527 0.000 0.000 0.298 365 F C 2.468 178.266 175.800 -0.003 0.000 1.088 365 F CA 1.088 59.084 58.000 -0.007 0.000 1.358 365 F CB -0.911 38.100 39.000 0.018 0.000 1.040 365 F HN 0.209 nan 8.300 nan 0.000 0.505 366 A N -0.402 122.516 122.820 0.163 0.000 1.902 366 A HA -0.259 4.061 4.320 0.000 0.000 0.217 366 A C 1.801 179.410 177.584 0.041 0.000 1.181 366 A CA 2.278 54.372 52.037 0.094 0.000 0.623 366 A CB -0.911 18.139 19.000 0.083 0.000 0.818 366 A HN 0.376 nan 8.150 nan 0.000 0.443 367 D N -1.677 118.727 120.400 0.006 0.000 2.271 367 D HA -0.002 4.638 4.640 0.000 0.000 0.206 367 D C 0.535 176.796 176.300 -0.065 0.000 0.967 367 D CA 0.495 54.477 54.000 -0.029 0.000 0.867 367 D CB 0.216 40.990 40.800 -0.043 0.000 0.960 367 D HN 0.078 nan 8.370 nan 0.000 0.509 368 R N 0.221 120.656 120.500 -0.107 0.000 2.494 368 R HA 0.237 4.577 4.340 0.000 0.000 0.284 368 R C -2.198 174.021 176.300 -0.134 0.000 1.525 368 R CA -1.541 54.471 56.100 -0.146 0.000 1.460 368 R CB 1.082 31.243 30.300 -0.232 0.000 1.134 368 R HN 0.142 nan 8.270 nan 0.000 0.592 369 P HA -0.008 nan 4.420 nan 0.000 0.225 369 P C 0.251 177.549 177.300 -0.003 0.000 1.156 369 P CA 0.784 63.889 63.100 0.009 0.000 0.787 369 P CB 0.485 32.199 31.700 0.023 0.000 0.802 370 E N -0.823 119.353 120.200 -0.039 0.000 2.419 370 E HA 0.109 4.459 4.350 0.000 0.000 0.190 370 E C 0.048 176.608 176.600 -0.066 0.000 1.040 370 E CA -0.518 55.861 56.400 -0.034 0.000 0.900 370 E CB -0.385 29.297 29.700 -0.029 0.000 1.054 370 E HN 0.075 nan 8.360 nan 0.000 0.462 371 L N 1.497 122.644 121.223 -0.126 0.000 2.540 371 L HA 0.168 4.509 4.340 0.000 0.000 0.276 371 L C -0.377 176.433 176.870 -0.101 0.000 1.212 371 L CA 0.474 55.202 54.840 -0.186 0.000 0.893 371 L CB 0.291 42.102 42.059 -0.415 0.000 1.138 371 L HN 0.038 nan 8.230 nan 0.000 0.491 372 A N 5.194 127.967 122.820 -0.079 0.000 2.606 372 A HA 0.553 4.874 4.320 0.000 0.000 0.293 372 A C -1.031 176.533 177.584 -0.033 0.000 1.082 372 A CA -0.853 51.165 52.037 -0.031 0.000 0.685 372 A CB 0.746 19.736 19.000 -0.016 0.000 1.284 372 A HN 0.678 nan 8.150 nan 0.000 0.408 373 L N 1.113 122.330 121.223 -0.010 0.000 2.485 373 L HA 0.207 4.547 4.340 0.000 0.000 0.275 373 L C 1.513 178.373 176.870 -0.016 0.000 1.207 373 L CA 0.321 55.154 54.840 -0.011 0.000 0.855 373 L CB 1.067 43.129 42.059 0.005 0.000 1.114 373 L HN 0.965 nan 8.230 nan 0.000 0.485 374 A N 3.828 126.636 122.820 -0.021 0.000 2.275 374 A HA 0.299 4.619 4.320 0.000 0.000 0.212 374 A C 0.387 177.963 177.584 -0.013 0.000 1.201 374 A CA 0.291 52.316 52.037 -0.020 0.000 0.843 374 A CB -0.042 18.943 19.000 -0.025 0.000 0.873 374 A HN 0.523 nan 8.150 nan 0.000 0.492 375 V N -4.697 115.212 119.914 -0.010 0.000 3.158 375 V HA 0.889 5.009 4.120 0.000 0.000 0.311 375 V C 0.319 176.416 176.094 0.005 0.000 1.181 375 V CA -0.547 61.751 62.300 -0.004 0.000 1.054 375 V CB 0.899 32.718 31.823 -0.006 0.000 1.085 375 V HN 0.349 nan 8.190 nan 0.000 0.446 376 G N -0.007 108.798 108.800 0.010 0.000 2.432 376 G HA2 0.408 4.368 3.960 0.000 0.000 0.257 376 G HA3 0.408 4.368 3.960 0.000 0.000 0.257 376 G C 0.593 175.510 174.900 0.028 0.000 1.238 376 G CA -0.327 44.783 45.100 0.018 0.000 0.838 376 G HN 1.082 nan 8.290 nan 0.000 0.547 377 L N 0.901 122.147 121.223 0.038 0.000 2.119 377 L HA -0.282 4.058 4.340 0.000 0.000 0.226 377 L C 2.696 179.610 176.870 0.075 0.000 1.093 377 L CA 2.496 57.373 54.840 0.062 0.000 0.806 377 L CB -0.145 41.952 42.059 0.063 0.000 0.902 377 L HN 0.818 nan 8.230 nan 0.000 0.444 378 D N -1.535 118.901 120.400 0.059 0.000 2.312 378 D HA -0.187 4.453 4.640 0.000 0.000 0.211 378 D C 1.500 177.837 176.300 0.060 0.000 0.964 378 D CA 0.818 54.856 54.000 0.063 0.000 0.877 378 D CB -0.158 40.669 40.800 0.045 0.000 0.924 378 D HN 0.581 nan 8.370 nan 0.000 0.515 379 E N 0.474 120.701 120.200 0.044 0.000 2.170 379 E HA 0.088 4.438 4.350 0.000 0.000 0.191 379 E C 0.808 177.422 176.600 0.025 0.000 0.981 379 E CA -0.182 56.237 56.400 0.030 0.000 0.830 379 E CB 0.317 30.026 29.700 0.015 0.000 0.775 379 E HN 0.291 nan 8.360 nan 0.000 0.470 380 L N 2.196 123.431 121.223 0.021 0.000 2.559 380 L HA -0.029 4.311 4.340 0.000 0.000 0.282 380 L C -0.114 176.746 176.870 -0.017 0.000 1.232 380 L CA -0.090 54.730 54.840 -0.034 0.000 0.885 380 L CB 0.324 42.341 42.059 -0.070 0.000 1.131 380 L HN -0.121 nan 8.230 nan 0.000 0.498 381 V N 3.902 123.766 119.914 -0.083 0.000 2.435 381 V HA 0.306 4.426 4.120 0.000 0.000 0.290 381 V C -0.436 175.575 176.094 -0.138 0.000 1.030 381 V CA -0.621 61.663 62.300 -0.028 0.000 0.881 381 V CB 1.233 33.042 31.823 -0.024 0.000 0.983 381 V HN 0.361 nan 8.190 nan 0.000 0.445 382 Y N 2.956 123.273 120.300 0.029 0.000 2.387 382 Y HA 0.553 5.103 4.550 0.000 0.000 0.330 382 Y C 0.957 176.835 175.900 -0.036 0.000 1.133 382 Y CA -0.692 57.426 58.100 0.030 0.000 1.152 382 Y CB 1.291 39.803 38.460 0.087 0.000 1.215 382 Y HN 0.520 nan 8.280 nan 0.000 0.466 383 R N 1.898 122.455 120.500 0.096 0.000 2.679 383 R HA 0.215 4.555 4.340 0.000 0.000 0.268 383 R C -0.476 175.697 176.300 -0.213 0.000 1.044 383 R CA -0.239 55.834 56.100 -0.045 0.000 1.105 383 R CB 0.356 30.654 30.300 -0.003 0.000 0.989 383 R HN 0.546 nan 8.270 nan 0.000 0.447 384 R N 1.166 121.391 120.500 -0.459 0.000 2.205 384 R HA 0.190 4.530 4.340 0.000 0.000 0.342 384 R C -0.537 175.441 176.300 -0.537 0.000 1.058 384 R CA -0.059 55.419 56.100 -1.037 0.000 0.904 384 R CB 1.223 30.890 30.300 -1.055 0.000 1.089 384 R HN 0.425 nan 8.270 nan 0.000 0.471 385 S N 0.581 116.089 115.700 -0.319 0.000 2.562 385 S HA 0.098 4.568 4.470 0.000 0.000 0.274 385 S C 0.624 175.468 174.600 0.407 0.000 1.160 385 S CA -0.741 57.508 58.200 0.082 0.000 0.933 385 S CB 1.468 64.728 63.200 0.099 0.000 1.100 385 S HN 0.662 nan 8.310 nan 0.000 0.468 386 T N 2.457 117.205 114.554 0.323 0.000 3.148 386 T HA 0.128 4.479 4.350 0.000 0.000 0.253 386 T C 1.256 176.092 174.700 0.226 0.000 1.134 386 T CA 0.568 62.849 62.100 0.303 0.000 1.051 386 T CB -0.065 68.782 68.868 -0.035 0.000 0.959 386 T HN 0.431 nan 8.240 nan 0.000 0.525 387 L N 0.193 121.534 121.223 0.197 0.000 2.500 387 L HA 0.584 4.924 4.340 0.000 0.000 0.219 387 L C 0.069 177.045 176.870 0.177 0.000 1.057 387 L CA 0.345 55.276 54.840 0.152 0.000 0.854 387 L CB 0.843 42.964 42.059 0.104 0.000 1.078 387 L HN 0.117 nan 8.230 nan 0.000 0.480 388 V N 0.513 120.547 119.914 0.201 0.000 2.656 388 V HA 0.505 4.625 4.120 0.000 0.000 0.307 388 V C -0.843 175.384 176.094 0.222 0.000 1.051 388 V CA -0.714 61.697 62.300 0.184 0.000 0.893 388 V CB 1.971 33.885 31.823 0.151 0.000 0.999 388 V HN 0.264 nan 8.190 nan 0.000 0.426 389 R N 3.167 123.788 120.500 0.202 0.000 2.247 389 R HA 0.722 5.062 4.340 0.000 0.000 0.329 389 R C -0.356 176.099 176.300 0.258 0.000 1.014 389 R CA 0.073 56.298 56.100 0.209 0.000 0.907 389 R CB 0.943 31.326 30.300 0.138 0.000 1.146 389 R HN 0.909 nan 8.270 nan 0.000 0.499 390 G N 3.688 112.693 108.800 0.342 0.000 2.768 390 G HA2 0.349 4.309 3.960 0.000 0.000 0.297 390 G HA3 0.349 4.309 3.960 0.000 0.000 0.297 390 G C -1.430 173.568 174.900 0.163 0.000 1.430 390 G CA -0.867 44.385 45.100 0.255 0.000 1.030 390 G HN 0.440 nan 8.290 nan 0.000 0.553 391 L N 1.394 122.571 121.223 -0.077 0.000 2.426 391 L HA 0.200 4.540 4.340 0.000 0.000 0.271 391 L C 1.838 178.620 176.870 -0.148 0.000 1.169 391 L CA -0.486 54.153 54.840 -0.335 0.000 0.836 391 L CB 1.343 43.172 42.059 -0.384 0.000 1.112 391 L HN 0.584 nan 8.230 nan 0.000 0.465 392 S N 1.460 117.069 115.700 -0.151 0.000 2.368 392 S HA 0.014 4.484 4.470 0.000 0.000 0.225 392 S C 0.531 175.071 174.600 -0.099 0.000 1.030 392 S CA 1.218 59.359 58.200 -0.098 0.000 0.999 392 S CB 0.021 63.169 63.200 -0.086 0.000 0.844 392 S HN 0.548 nan 8.310 nan 0.000 0.459 393 R N -0.916 119.516 120.500 -0.113 0.000 2.629 393 R HA 0.419 4.759 4.340 0.000 0.000 0.266 393 R C -1.349 174.894 176.300 -0.094 0.000 1.051 393 R CA -0.186 55.861 56.100 -0.089 0.000 0.895 393 R CB 1.556 31.810 30.300 -0.077 0.000 1.246 393 R HN 0.123 nan 8.270 nan 0.000 0.459 394 M N 3.432 122.993 119.600 -0.065 0.000 1.987 394 M HA 0.379 4.859 4.480 0.000 0.000 0.298 394 M C -2.585 173.688 176.300 -0.045 0.000 0.892 394 M CA -1.955 53.310 55.300 -0.059 0.000 0.885 394 M CB 1.644 34.217 32.600 -0.044 0.000 1.469 394 M HN 0.182 nan 8.290 nan 0.000 0.389 395 P HA 0.110 nan 4.420 nan 0.000 0.269 395 P C -0.897 176.379 177.300 -0.039 0.000 1.252 395 P CA -0.086 62.990 63.100 -0.039 0.000 0.780 395 P CB 0.308 31.987 31.700 -0.034 0.000 0.829 396 V N 0.932 120.818 119.914 -0.047 0.000 2.864 396 V HA 0.620 4.740 4.120 0.000 0.000 0.314 396 V C -0.134 175.924 176.094 -0.061 0.000 1.073 396 V CA -0.628 61.637 62.300 -0.058 0.000 0.956 396 V CB 2.008 33.781 31.823 -0.082 0.000 1.023 396 V HN 0.225 nan 8.190 nan 0.000 0.435 397 T N 5.481 119.998 114.554 -0.062 0.000 2.727 397 T HA 0.314 4.664 4.350 0.000 0.000 0.298 397 T C 1.115 175.762 174.700 -0.088 0.000 0.942 397 T CA -0.325 61.737 62.100 -0.062 0.000 0.997 397 T CB 0.853 69.693 68.868 -0.047 0.000 0.917 397 T HN 0.647 nan 8.240 nan 0.000 0.487 398 M N 2.219 121.762 119.600 -0.096 0.000 2.175 398 M HA 0.127 4.607 4.480 0.000 0.000 0.264 398 M C 1.528 177.757 176.300 -0.117 0.000 1.063 398 M CA 0.953 56.177 55.300 -0.127 0.000 1.119 398 M CB -1.551 30.977 32.600 -0.120 0.000 1.377 398 M HN 0.928 nan 8.290 nan 0.000 0.415 399 G N 1.055 109.806 108.800 -0.083 0.000 2.829 399 G HA2 -0.148 3.812 3.960 0.000 0.000 0.628 399 G HA3 -0.148 3.812 3.960 0.000 0.000 0.628 399 G C -2.699 172.163 174.900 -0.062 0.000 1.412 399 G CA -0.895 44.165 45.100 -0.066 0.000 0.864 399 G HN 0.217 nan 8.290 nan 0.000 0.544 400 P HA 0.232 nan 4.420 nan 0.000 0.270 400 P C -0.009 177.264 177.300 -0.045 0.000 1.223 400 P CA -0.080 62.995 63.100 -0.040 0.000 0.785 400 P CB 0.457 32.140 31.700 -0.028 0.000 0.923 401 R N 0.900 121.377 120.500 -0.039 0.000 2.347 401 R HA 0.240 4.580 4.340 0.000 0.000 0.304 401 R C 1.118 177.404 176.300 -0.024 0.000 1.072 401 R CA -0.228 55.851 56.100 -0.036 0.000 0.980 401 R CB 0.102 30.384 30.300 -0.030 0.000 0.986 401 R HN 0.584 nan 8.270 nan 0.000 0.448 402 S N 0.000 115.688 115.700 -0.020 0.000 2.498 402 S HA 0.000 4.470 4.470 0.000 0.000 0.327 402 S CA 0.000 58.194 58.200 -0.009 0.000 1.107 402 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 402 S HN 0.000 nan 8.310 nan 0.000 0.517