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 3ifh_1_Y DATA FIRST_RESID 3 DATA SEQUENCE GSMKDPSLLR HQAYIGGEWQ AADSDATFEV FDPATGESLG TVPKMGAAET DATA SEQUENCE ARAIEAAQAA WAGWRMKTAK ERAAILRRWF DLVIANSDDL ALILTTEQGK DATA SEQUENCE PLAEAKGEIA YAASFIEWFA EEGKRVAGDT LPTPDANKRI VVVKEPIGVC DATA SEQUENCE AAITPWNFPA AMIARKVGPA LAAGCPIVVK PAESTPFSAL AMAFLAERAG DATA SEQUENCE VPKGVLSVVI GDPKAIGTEI TSNPIVRKLS FTGSTAVGRL LMAQSAPTVK DATA SEQUENCE KLTLELGGNA PFIVFDDADL DAAVEGAIAS KYRNNGQTCV CTNRFFVHER DATA SEQUENCE VYDAFADKLA AAVSKLKVGR GTESGATLGP LINEAAVKKV ESHIADALAK DATA SEQUENCE GASLMTGGKR HALGHGFFEP TVLTGVKPDM DVAKEETFGP LAPLFRFASE DATA SEQUENCE EELVRLANDT EFGLAAYLYS RDIGRVWRVA EALEYGMVGI NTGLISNEVA DATA SEQUENCE PFGGVKQSGL GREGSHYGID DYVVIKYLCV AV 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 3 G C 0.000 174.874 174.900 -0.043 0.000 0.946 3 G CA 0.000 45.068 45.100 -0.053 0.000 0.502 4 S N 1.227 116.907 115.700 -0.034 0.000 3.455 4 S HA 0.627 5.097 4.470 0.000 0.000 0.288 4 S C 0.088 174.671 174.600 -0.028 0.000 1.231 4 S CA 0.173 58.356 58.200 -0.027 0.000 1.031 4 S CB -0.579 62.609 63.200 -0.020 0.000 1.570 4 S HN 0.384 nan 8.310 nan 0.000 0.519 5 M N 2.019 121.600 119.600 -0.032 0.000 2.326 5 M HA 0.334 4.814 4.480 0.000 0.000 0.292 5 M C 0.300 176.585 176.300 -0.024 0.000 1.081 5 M CA -0.796 54.486 55.300 -0.031 0.000 0.919 5 M CB 2.423 34.996 32.600 -0.045 0.000 1.634 5 M HN 0.218 nan 8.290 nan 0.000 0.451 6 K N 0.515 120.905 120.400 -0.016 0.000 2.189 6 K HA -0.143 4.177 4.320 0.000 0.000 0.207 6 K C 0.369 176.965 176.600 -0.007 0.000 1.046 6 K CA 1.386 57.667 56.287 -0.010 0.000 0.928 6 K CB -0.036 32.461 32.500 -0.005 0.000 0.720 6 K HN 0.462 nan 8.250 nan 0.000 0.458 7 D N -1.589 118.805 120.400 -0.011 0.000 2.629 7 D HA 0.116 4.756 4.640 0.000 0.000 0.250 7 D C -2.070 174.209 176.300 -0.035 0.000 1.126 7 D CA -2.177 51.819 54.000 -0.007 0.000 0.852 7 D CB 1.845 42.657 40.800 0.019 0.000 1.335 7 D HN -0.173 nan 8.370 nan 0.000 0.518 8 P HA -0.034 nan 4.420 nan 0.000 0.221 8 P C 0.729 177.949 177.300 -0.133 0.000 1.155 8 P CA 0.461 63.515 63.100 -0.077 0.000 0.812 8 P CB 0.213 31.876 31.700 -0.062 0.000 0.801 9 S N -1.378 114.233 115.700 -0.149 0.000 2.618 9 S HA 0.248 4.718 4.470 0.000 0.000 0.242 9 S C 1.476 175.827 174.600 -0.416 0.000 0.972 9 S CA -0.446 57.559 58.200 -0.325 0.000 1.004 9 S CB -1.024 61.975 63.200 -0.336 0.000 0.778 9 S HN -0.009 nan 8.310 nan 0.000 0.459 10 L N -0.019 121.076 121.223 -0.213 0.000 2.121 10 L HA 0.311 4.651 4.340 0.000 0.000 0.200 10 L C 1.024 177.760 176.870 -0.223 0.000 1.077 10 L CA 0.349 55.109 54.840 -0.134 0.000 0.766 10 L CB -0.317 41.725 42.059 -0.029 0.000 0.931 10 L HN 0.405 nan 8.230 nan 0.000 0.452 11 L N 2.438 123.501 121.223 -0.266 0.000 2.623 11 L HA 0.051 4.391 4.340 0.000 0.000 0.281 11 L C 0.329 176.887 176.870 -0.520 0.000 1.150 11 L CA 0.341 54.933 54.840 -0.413 0.000 0.965 11 L CB -0.323 41.447 42.059 -0.481 0.000 1.303 11 L HN 0.066 nan 8.230 nan 0.000 0.467 12 R N 3.910 124.155 120.500 -0.426 0.000 2.532 12 R HA 0.334 4.674 4.340 0.000 0.000 0.272 12 R C -0.067 175.997 176.300 -0.394 0.000 1.032 12 R CA -0.491 55.339 56.100 -0.450 0.000 1.089 12 R CB 0.575 30.579 30.300 -0.493 0.000 1.098 12 R HN 0.606 nan 8.270 nan 0.000 0.526 13 H N 0.219 119.282 119.070 -0.011 0.000 2.649 13 H HA 0.285 4.841 4.556 0.000 0.000 0.258 13 H C -0.193 175.191 175.328 0.095 0.000 1.165 13 H CA -0.067 56.034 56.048 0.089 0.000 1.006 13 H CB 1.359 31.135 29.762 0.023 0.000 1.743 13 H HN 0.408 nan 8.280 nan 0.000 0.609 14 Q N 0.140 120.079 119.800 0.231 0.000 2.528 14 Q HA 0.744 5.084 4.340 0.000 0.000 0.289 14 Q C -0.760 175.526 176.000 0.477 0.000 1.091 14 Q CA -1.092 54.912 55.803 0.334 0.000 0.797 14 Q CB 3.062 32.030 28.738 0.382 0.000 1.466 14 Q HN 0.256 nan 8.270 nan 0.000 0.436 15 A N 0.491 123.517 122.820 0.343 0.000 2.312 15 A HA 0.440 4.760 4.320 0.000 0.000 0.328 15 A C -1.681 175.927 177.584 0.040 0.000 1.158 15 A CA -0.266 51.890 52.037 0.199 0.000 0.821 15 A CB 0.435 19.492 19.000 0.095 0.000 1.170 15 A HN 0.647 nan 8.150 nan 0.000 0.490 16 Y N 3.623 123.665 120.300 -0.431 0.000 2.595 16 Y HA 0.404 4.954 4.550 0.000 0.000 0.347 16 Y C -0.578 175.096 175.900 -0.377 0.000 1.025 16 Y CA -1.135 56.518 58.100 -0.744 0.000 1.295 16 Y CB 0.283 38.120 38.460 -1.038 0.000 1.147 16 Y HN 0.382 nan 8.280 nan 0.000 0.515 17 I N 4.789 125.047 120.570 -0.520 0.000 2.382 17 I HA 0.292 4.462 4.170 0.000 0.000 0.285 17 I C 0.956 176.792 176.117 -0.468 0.000 1.007 17 I CA -0.774 60.302 61.300 -0.374 0.000 1.142 17 I CB 0.829 38.716 38.000 -0.188 0.000 1.289 17 I HN 0.801 nan 8.210 nan 0.000 0.453 18 G N 4.740 113.270 108.800 -0.450 0.000 2.323 18 G HA2 -0.094 3.866 3.960 0.000 0.000 0.292 18 G HA3 -0.094 3.866 3.960 0.000 0.000 0.292 18 G C 0.976 175.594 174.900 -0.471 0.000 1.040 18 G CA 0.726 45.604 45.100 -0.371 0.000 0.942 18 G HN 1.658 nan 8.290 nan 0.000 0.506 19 G N -1.459 106.815 108.800 -0.877 0.000 2.198 19 G HA2 -0.100 3.860 3.960 0.000 0.000 0.257 19 G HA3 -0.100 3.860 3.960 0.000 0.000 0.257 19 G C -0.136 174.418 174.900 -0.575 0.000 1.042 19 G CA 0.802 45.415 45.100 -0.810 0.000 0.791 19 G HN 1.358 nan 8.290 nan 0.000 0.502 20 E N -1.381 118.344 120.200 -0.791 0.000 2.313 20 E HA 0.271 4.621 4.350 0.000 0.000 0.280 20 E C -0.687 175.818 176.600 -0.158 0.000 0.898 20 E CA -0.951 55.312 56.400 -0.230 0.000 0.803 20 E CB 0.919 30.544 29.700 -0.125 0.000 1.286 20 E HN 0.296 nan 8.360 nan 0.000 0.401 21 W N 3.289 124.717 121.300 0.214 0.000 2.591 21 W HA 0.080 4.740 4.660 0.000 0.000 0.330 21 W C 0.754 177.331 176.519 0.096 0.000 1.435 21 W CA 0.239 57.709 57.345 0.208 0.000 1.350 21 W CB 0.348 29.931 29.460 0.205 0.000 1.434 21 W HN 0.319 nan 8.180 nan 0.000 0.553 22 Q N 1.765 121.712 119.800 0.245 0.000 2.633 22 Q HA 0.876 5.216 4.340 0.000 0.000 0.292 22 Q C -0.743 175.346 176.000 0.148 0.000 1.089 22 Q CA -1.203 54.687 55.803 0.146 0.000 0.811 22 Q CB 2.389 31.159 28.738 0.054 0.000 1.472 22 Q HN 0.481 nan 8.270 nan 0.000 0.464 23 A N 0.057 122.938 122.820 0.102 0.000 2.527 23 A HA 0.817 5.137 4.320 0.000 0.000 0.293 23 A C -1.154 176.469 177.584 0.065 0.000 1.117 23 A CA -0.306 51.786 52.037 0.092 0.000 0.723 23 A CB 1.211 20.263 19.000 0.088 0.000 1.313 23 A HN 0.722 nan 8.150 nan 0.000 0.411 24 A N 0.612 123.471 122.820 0.065 0.000 2.603 24 A HA 0.206 4.526 4.320 0.000 0.000 0.235 24 A C 0.629 178.235 177.584 0.038 0.000 1.035 24 A CA 0.746 52.813 52.037 0.050 0.000 0.755 24 A CB -0.261 18.774 19.000 0.058 0.000 0.954 24 A HN 0.754 nan 8.150 nan 0.000 0.511 25 D N 1.012 121.428 120.400 0.026 0.000 2.172 25 D HA -0.104 4.536 4.640 0.000 0.000 0.196 25 D C 1.208 177.521 176.300 0.021 0.000 0.999 25 D CA 2.117 56.129 54.000 0.020 0.000 0.856 25 D CB -0.276 40.531 40.800 0.012 0.000 0.934 25 D HN 0.659 nan 8.370 nan 0.000 0.453 26 S N 0.483 116.196 115.700 0.022 0.000 2.404 26 S HA 0.224 4.694 4.470 0.000 0.000 0.309 26 S C -0.173 174.446 174.600 0.032 0.000 1.076 26 S CA -0.863 57.351 58.200 0.023 0.000 1.095 26 S CB 1.158 64.370 63.200 0.020 0.000 0.972 26 S HN -0.141 nan 8.310 nan 0.000 0.484 27 D N 2.831 123.251 120.400 0.032 0.000 2.478 27 D HA 0.145 4.785 4.640 0.000 0.000 0.260 27 D C 1.094 177.421 176.300 0.045 0.000 1.291 27 D CA 0.612 54.635 54.000 0.038 0.000 1.008 27 D CB -0.562 40.258 40.800 0.033 0.000 0.970 27 D HN 0.817 nan 8.370 nan 0.000 0.491 28 A N 0.154 123.004 122.820 0.050 0.000 2.409 28 A HA 0.486 4.806 4.320 0.000 0.000 0.246 28 A C 0.805 178.442 177.584 0.088 0.000 1.099 28 A CA 0.021 52.096 52.037 0.063 0.000 0.789 28 A CB 0.660 19.696 19.000 0.059 0.000 1.053 28 A HN 0.226 nan 8.150 nan 0.000 0.503 29 T N -1.107 113.515 114.554 0.113 0.000 2.786 29 T HA 0.608 4.958 4.350 0.000 0.000 0.316 29 T C -1.066 173.767 174.700 0.222 0.000 1.503 29 T CA 0.007 62.187 62.100 0.133 0.000 1.019 29 T CB 0.571 69.474 68.868 0.058 0.000 1.415 29 T HN 1.768 nan 8.240 nan 0.000 0.496 30 F N 0.063 120.004 119.950 -0.015 0.000 2.745 30 F HA 0.889 5.416 4.527 0.000 0.000 0.316 30 F C -1.051 174.697 175.800 -0.086 0.000 1.155 30 F CA -1.090 56.883 58.000 -0.045 0.000 0.937 30 F CB 1.378 40.346 39.000 -0.053 0.000 1.361 30 F HN 0.708 nan 8.300 nan 0.000 0.472 31 E N 0.994 121.078 120.200 -0.193 0.000 2.202 31 E HA 0.700 5.050 4.350 0.000 0.000 0.272 31 E C -1.727 174.486 176.600 -0.646 0.000 0.951 31 E CA -1.113 55.042 56.400 -0.409 0.000 0.813 31 E CB 2.297 31.805 29.700 -0.320 0.000 1.151 31 E HN 0.604 nan 8.360 nan 0.000 0.398 32 V N 3.968 123.518 119.914 -0.606 0.000 2.540 32 V HA 0.444 4.564 4.120 0.000 0.000 0.302 32 V C -1.063 174.811 176.094 -0.367 0.000 1.035 32 V CA -0.775 61.237 62.300 -0.479 0.000 0.873 32 V CB 0.945 32.612 31.823 -0.260 0.000 0.992 32 V HN 0.512 nan 8.190 nan 0.000 0.428 33 F N 1.525 121.512 119.950 0.062 0.000 2.480 33 F HA 0.435 4.962 4.527 0.000 0.000 0.329 33 F C 0.506 176.337 175.800 0.052 0.000 1.091 33 F CA -1.326 56.712 58.000 0.063 0.000 0.972 33 F CB 0.966 40.001 39.000 0.059 0.000 1.150 33 F HN 0.476 nan 8.300 nan 0.000 0.467 34 D N 4.481 125.029 120.400 0.247 0.000 2.493 34 D HA 0.020 4.660 4.640 0.000 0.000 0.240 34 D C -1.683 174.673 176.300 0.095 0.000 1.142 34 D CA -0.971 53.105 54.000 0.128 0.000 0.872 34 D CB 1.467 42.318 40.800 0.086 0.000 1.173 34 D HN 0.236 nan 8.370 nan 0.000 0.467 35 P HA 0.104 nan 4.420 nan 0.000 0.253 35 P C 0.126 177.346 177.300 -0.134 0.000 1.260 35 P CA 0.168 63.248 63.100 -0.034 0.000 0.800 35 P CB 0.549 32.190 31.700 -0.098 0.000 1.162 36 A N -0.846 121.908 122.820 -0.109 0.000 2.074 36 A HA 0.171 4.491 4.320 0.000 0.000 0.200 36 A C 1.863 179.259 177.584 -0.313 0.000 1.335 36 A CA 0.875 52.889 52.037 -0.037 0.000 0.922 36 A CB -0.493 18.629 19.000 0.204 0.000 0.972 36 A HN 0.106 nan 8.150 nan 0.000 0.475 37 T N -1.785 112.625 114.554 -0.241 0.000 2.988 37 T HA 0.398 4.748 4.350 0.000 0.000 0.240 37 T C 1.595 176.247 174.700 -0.081 0.000 1.014 37 T CA 1.179 63.163 62.100 -0.193 0.000 1.155 37 T CB 0.024 68.875 68.868 -0.028 0.000 0.872 37 T HN 1.412 nan 8.240 nan 0.000 0.440 38 G N 2.397 111.226 108.800 0.048 0.000 2.176 38 G HA2 -0.228 3.732 3.960 0.000 0.000 0.232 38 G HA3 -0.228 3.732 3.960 0.000 0.000 0.232 38 G C -0.019 174.890 174.900 0.016 0.000 0.986 38 G CA 0.140 45.302 45.100 0.103 0.000 0.643 38 G HN 0.771 nan 8.290 nan 0.000 0.522 39 E N 0.767 121.021 120.200 0.091 0.000 2.316 39 E HA 0.509 4.859 4.350 0.000 0.000 0.275 39 E C 0.337 177.098 176.600 0.269 0.000 1.029 39 E CA 0.123 56.594 56.400 0.119 0.000 0.871 39 E CB 1.209 30.955 29.700 0.076 0.000 1.022 39 E HN 0.279 nan 8.360 nan 0.000 0.418 40 S N 2.151 118.050 115.700 0.332 0.000 2.555 40 S HA 0.036 4.506 4.470 0.000 0.000 0.293 40 S C 0.978 175.695 174.600 0.196 0.000 1.248 40 S CA 0.128 58.562 58.200 0.391 0.000 1.096 40 S CB -0.165 63.221 63.200 0.311 0.000 0.881 40 S HN 0.613 nan 8.310 nan 0.000 0.498 41 L N 3.916 125.249 121.223 0.184 0.000 2.554 41 L HA 0.584 4.924 4.340 0.000 0.000 0.226 41 L C 1.411 178.377 176.870 0.160 0.000 1.137 41 L CA 1.060 55.982 54.840 0.138 0.000 0.863 41 L CB -1.831 40.332 42.059 0.174 0.000 0.985 41 L HN 1.188 nan 8.230 nan 0.000 0.451 42 G N -1.903 106.995 108.800 0.163 0.000 2.340 42 G HA2 0.457 4.417 3.960 0.000 0.000 0.282 42 G HA3 0.457 4.417 3.960 0.000 0.000 0.282 42 G C -0.257 174.701 174.900 0.096 0.000 1.312 42 G CA 0.504 45.681 45.100 0.129 0.000 0.942 42 G HN 1.387 nan 8.290 nan 0.000 0.495 43 T N -1.922 112.679 114.554 0.079 0.000 2.807 43 T HA 0.815 5.165 4.350 0.000 0.000 0.279 43 T C -0.074 174.663 174.700 0.061 0.000 0.993 43 T CA 0.022 62.111 62.100 -0.017 0.000 0.970 43 T CB 1.342 70.178 68.868 -0.054 0.000 0.950 43 T HN 2.054 nan 8.240 nan 0.000 0.441 44 V N 0.061 119.828 119.914 -0.246 0.000 2.769 44 V HA 0.773 4.893 4.120 0.000 0.000 0.312 44 V C -3.030 172.966 176.094 -0.163 0.000 1.061 44 V CA -3.312 58.849 62.300 -0.231 0.000 0.931 44 V CB 1.356 32.900 31.823 -0.464 0.000 1.010 44 V HN 0.676 nan 8.190 nan 0.000 0.433 45 P HA 0.158 nan 4.420 nan 0.000 0.267 45 P C -0.828 176.648 177.300 0.294 0.000 1.200 45 P CA 0.013 63.195 63.100 0.136 0.000 0.772 45 P CB 0.380 32.151 31.700 0.118 0.000 0.855 46 K N 3.812 124.383 120.400 0.286 0.000 2.360 46 K HA 0.310 4.630 4.320 0.000 0.000 0.235 46 K C -0.381 176.273 176.600 0.090 0.000 1.077 46 K CA -0.168 56.256 56.287 0.228 0.000 1.035 46 K CB -0.322 32.278 32.500 0.168 0.000 1.623 46 K HN 0.432 nan 8.250 nan 0.000 0.462 47 M N 0.783 120.431 119.600 0.080 0.000 2.471 47 M HA 0.430 4.910 4.480 0.000 0.000 0.309 47 M C 0.764 177.070 176.300 0.010 0.000 1.186 47 M CA -0.611 54.714 55.300 0.041 0.000 1.008 47 M CB 1.709 34.336 32.600 0.045 0.000 1.551 47 M HN 0.539 nan 8.290 nan 0.000 0.477 48 G N -0.423 108.378 108.800 0.002 0.000 3.264 48 G HA2 0.621 4.581 3.960 0.000 0.000 0.168 48 G HA3 0.621 4.581 3.960 0.000 0.000 0.168 48 G C 0.486 175.379 174.900 -0.012 0.000 1.145 48 G CA 0.038 45.132 45.100 -0.011 0.000 0.855 48 G HN 0.746 nan 8.290 nan 0.000 0.629 49 A N -0.327 122.484 122.820 -0.015 0.000 1.858 49 A HA 0.221 4.541 4.320 0.000 0.000 0.216 49 A C 2.709 180.283 177.584 -0.017 0.000 1.190 49 A CA 3.007 55.034 52.037 -0.017 0.000 0.617 49 A CB -1.133 17.857 19.000 -0.018 0.000 0.827 49 A HN 1.416 nan 8.150 nan 0.000 0.443 50 A N -0.338 122.474 122.820 -0.014 0.000 1.933 50 A HA -0.118 4.202 4.320 0.000 0.000 0.218 50 A C 1.854 179.428 177.584 -0.017 0.000 1.175 50 A CA 1.905 53.934 52.037 -0.014 0.000 0.628 50 A CB -0.476 18.518 19.000 -0.010 0.000 0.814 50 A HN 0.573 nan 8.150 nan 0.000 0.444 51 E N -0.527 119.665 120.200 -0.015 0.000 2.047 51 E HA -0.093 4.257 4.350 0.000 0.000 0.191 51 E C 2.070 178.652 176.600 -0.031 0.000 0.987 51 E CA 1.733 58.122 56.400 -0.019 0.000 0.799 51 E CB -0.603 29.092 29.700 -0.008 0.000 0.752 51 E HN 0.537 nan 8.360 nan 0.000 0.449 52 T N 0.653 115.191 114.554 -0.026 0.000 2.720 52 T HA -0.192 4.158 4.350 0.000 0.000 0.268 52 T C 1.956 176.633 174.700 -0.038 0.000 1.037 52 T CA 1.388 63.469 62.100 -0.032 0.000 1.144 52 T CB -0.374 68.480 68.868 -0.025 0.000 0.864 52 T HN 0.293 nan 8.240 nan 0.000 0.444 53 A N 1.007 123.807 122.820 -0.033 0.000 2.015 53 A HA 0.000 4.320 4.320 0.000 0.000 0.219 53 A C 2.301 179.862 177.584 -0.038 0.000 1.163 53 A CA 1.254 53.272 52.037 -0.033 0.000 0.646 53 A CB -0.425 18.559 19.000 -0.026 0.000 0.806 53 A HN 0.357 nan 8.150 nan 0.000 0.448 54 R N -0.879 119.596 120.500 -0.042 0.000 2.127 54 R HA 0.095 4.435 4.340 0.000 0.000 0.217 54 R C 2.286 178.544 176.300 -0.070 0.000 1.074 54 R CA 0.920 56.990 56.100 -0.049 0.000 0.991 54 R CB -0.220 30.053 30.300 -0.046 0.000 0.895 54 R HN 0.470 nan 8.270 nan 0.000 0.450 55 A N 0.655 123.428 122.820 -0.078 0.000 1.930 55 A HA -0.112 4.208 4.320 0.000 0.000 0.217 55 A C 1.989 179.518 177.584 -0.092 0.000 1.175 55 A CA 1.063 53.038 52.037 -0.103 0.000 0.627 55 A CB -0.315 18.625 19.000 -0.101 0.000 0.815 55 A HN 0.244 nan 8.150 nan 0.000 0.443 56 I N -0.732 119.796 120.570 -0.071 0.000 2.202 56 I HA -0.212 3.958 4.170 0.000 0.000 0.242 56 I C 2.441 178.523 176.117 -0.058 0.000 1.091 56 I CA 1.465 62.725 61.300 -0.067 0.000 1.368 56 I CB -0.257 37.709 38.000 -0.056 0.000 1.058 56 I HN 0.371 nan 8.210 nan 0.000 0.410 57 E N 0.604 120.776 120.200 -0.046 0.000 2.208 57 E HA -0.141 4.209 4.350 0.000 0.000 0.193 57 E C 2.264 178.846 176.600 -0.029 0.000 0.988 57 E CA 0.952 57.335 56.400 -0.029 0.000 0.828 57 E CB -0.064 29.622 29.700 -0.023 0.000 0.763 57 E HN 0.493 nan 8.360 nan 0.000 0.478 58 A N 1.396 124.184 122.820 -0.052 0.000 1.873 58 A HA -0.103 4.217 4.320 0.000 0.000 0.215 58 A C 2.397 179.949 177.584 -0.053 0.000 1.186 58 A CA 1.561 53.561 52.037 -0.062 0.000 0.616 58 A CB -0.703 18.235 19.000 -0.105 0.000 0.823 58 A HN 0.300 nan 8.150 nan 0.000 0.442 59 A N -0.774 122.003 122.820 -0.072 0.000 1.908 59 A HA -0.276 4.044 4.320 0.000 0.000 0.218 59 A C 2.229 179.809 177.584 -0.006 0.000 1.181 59 A CA 1.967 53.962 52.037 -0.069 0.000 0.627 59 A CB -0.672 18.264 19.000 -0.108 0.000 0.818 59 A HN 0.672 nan 8.150 nan 0.000 0.445 60 Q N -0.722 119.078 119.800 0.001 0.000 2.050 60 Q HA -0.145 4.195 4.340 0.000 0.000 0.202 60 Q C 2.150 178.242 176.000 0.152 0.000 0.980 60 Q CA 1.636 57.481 55.803 0.071 0.000 0.840 60 Q CB -0.313 28.450 28.738 0.041 0.000 0.898 60 Q HN 0.617 nan 8.270 nan 0.000 0.424 61 A N 0.072 122.945 122.820 0.088 0.000 2.066 61 A HA 0.075 4.395 4.320 0.000 0.000 0.218 61 A C 1.989 179.636 177.584 0.106 0.000 1.157 61 A CA 1.185 53.275 52.037 0.087 0.000 0.670 61 A CB -0.365 18.660 19.000 0.042 0.000 0.804 61 A HN 0.486 nan 8.150 nan 0.000 0.453 62 A N -2.179 120.707 122.820 0.110 0.000 2.218 62 A HA 0.102 4.422 4.320 0.000 0.000 0.209 62 A C 1.659 179.400 177.584 0.262 0.000 1.168 62 A CA 0.732 52.843 52.037 0.123 0.000 0.804 62 A CB -0.563 18.457 19.000 0.034 0.000 0.834 62 A HN 0.743 nan 8.150 nan 0.000 0.482 63 W N 1.103 122.446 121.300 0.072 0.000 2.378 63 W HA -0.084 4.576 4.660 -0.000 0.000 0.313 63 W C 2.362 178.959 176.519 0.130 0.000 1.197 63 W CA 1.383 58.802 57.345 0.122 0.000 1.304 63 W CB -0.752 28.758 29.460 0.083 0.000 1.148 63 W HN 0.344 nan 8.180 nan 0.000 0.494 64 A N 0.746 123.613 122.820 0.078 0.000 1.873 64 A HA -0.158 4.162 4.320 0.000 0.000 0.218 64 A C 2.325 179.892 177.584 -0.029 0.000 1.193 64 A CA 2.797 54.771 52.037 -0.106 0.000 0.629 64 A CB -1.672 17.292 19.000 -0.060 0.000 0.826 64 A HN 0.405 nan 8.150 nan 0.000 0.447 65 G N -1.904 106.939 108.800 0.071 0.000 2.440 65 G HA2 -0.296 3.664 3.960 0.000 0.000 0.218 65 G HA3 -0.296 3.664 3.960 0.000 0.000 0.218 65 G C 1.563 176.557 174.900 0.158 0.000 1.154 65 G CA 0.933 46.090 45.100 0.095 0.000 0.767 65 G HN 0.715 nan 8.290 nan 0.000 0.552 66 W N 2.442 123.765 121.300 0.039 0.000 2.381 66 W HA -0.091 4.569 4.660 0.000 0.000 0.301 66 W C 2.719 179.267 176.519 0.048 0.000 1.205 66 W CA 1.261 58.645 57.345 0.064 0.000 1.285 66 W CB 0.072 29.606 29.460 0.123 0.000 1.133 66 W HN 0.323 nan 8.180 nan 0.000 0.521 67 R N 0.265 120.750 120.500 -0.026 0.000 2.193 67 R HA -0.110 4.230 4.340 0.000 0.000 0.213 67 R C 2.061 178.238 176.300 -0.206 0.000 1.055 67 R CA 1.269 57.259 56.100 -0.183 0.000 0.995 67 R CB -1.044 29.116 30.300 -0.235 0.000 0.893 67 R HN 0.212 nan 8.270 nan 0.000 0.459 68 M N 1.306 120.812 119.600 -0.157 0.000 2.476 68 M HA 0.038 4.518 4.480 0.000 0.000 0.262 68 M C -0.028 176.191 176.300 -0.135 0.000 1.079 68 M CA 1.019 56.240 55.300 -0.131 0.000 1.104 68 M CB 0.258 32.804 32.600 -0.090 0.000 1.409 68 M HN 0.018 nan 8.290 nan 0.000 0.467 69 K N 1.398 121.689 120.400 -0.183 0.000 2.380 69 K HA 0.048 4.368 4.320 0.000 0.000 0.267 69 K C 0.331 176.805 176.600 -0.210 0.000 0.990 69 K CA 0.243 56.407 56.287 -0.205 0.000 0.946 69 K CB 0.262 32.570 32.500 -0.321 0.000 0.937 69 K HN 0.238 nan 8.250 nan 0.000 0.491 70 T N -1.270 113.188 114.554 -0.159 0.000 2.913 70 T HA 0.211 4.561 4.350 0.000 0.000 0.297 70 T C 1.426 176.028 174.700 -0.163 0.000 1.029 70 T CA -0.352 61.666 62.100 -0.135 0.000 1.104 70 T CB 1.509 70.322 68.868 -0.092 0.000 0.964 70 T HN 0.576 nan 8.240 nan 0.000 0.532 71 A N 2.185 124.922 122.820 -0.138 0.000 1.940 71 A HA -0.227 4.093 4.320 0.000 0.000 0.221 71 A C 2.321 179.843 177.584 -0.104 0.000 1.190 71 A CA 2.250 54.212 52.037 -0.125 0.000 0.647 71 A CB -0.937 18.015 19.000 -0.081 0.000 0.821 71 A HN 0.964 nan 8.150 nan 0.000 0.457 72 K N -0.536 119.815 120.400 -0.082 0.000 2.025 72 K HA -0.174 4.146 4.320 0.000 0.000 0.207 72 K C 1.976 178.545 176.600 -0.051 0.000 1.049 72 K CA 1.619 57.871 56.287 -0.058 0.000 0.933 72 K CB -0.240 32.231 32.500 -0.049 0.000 0.714 72 K HN 0.646 nan 8.250 nan 0.000 0.438 73 E N 0.097 120.255 120.200 -0.070 0.000 2.130 73 E HA -0.209 4.141 4.350 0.000 0.000 0.196 73 E C 2.192 178.753 176.600 -0.065 0.000 0.998 73 E CA 1.306 57.670 56.400 -0.060 0.000 0.806 73 E CB 0.073 29.725 29.700 -0.079 0.000 0.738 73 E HN 0.282 nan 8.360 nan 0.000 0.459 74 R N 0.006 120.415 120.500 -0.152 0.000 2.062 74 R HA -0.033 4.307 4.340 0.000 0.000 0.229 74 R C 2.426 178.753 176.300 0.046 0.000 1.128 74 R CA 0.934 56.934 56.100 -0.168 0.000 0.960 74 R CB -0.293 29.743 30.300 -0.440 0.000 0.855 74 R HN 0.087 nan 8.270 nan 0.000 0.432 75 A N 1.712 124.543 122.820 0.020 0.000 1.948 75 A HA -0.190 4.130 4.320 0.000 0.000 0.220 75 A C 2.371 180.006 177.584 0.085 0.000 1.177 75 A CA 1.815 53.887 52.037 0.059 0.000 0.636 75 A CB -0.677 18.326 19.000 0.005 0.000 0.815 75 A HN 0.414 nan 8.150 nan 0.000 0.449 76 A N 0.428 123.287 122.820 0.065 0.000 1.837 76 A HA -0.206 4.114 4.320 0.000 0.000 0.216 76 A C 2.078 179.746 177.584 0.140 0.000 1.210 76 A CA 1.794 53.881 52.037 0.083 0.000 0.632 76 A CB -0.969 18.067 19.000 0.059 0.000 0.843 76 A HN 0.527 nan 8.150 nan 0.000 0.448 77 I N -0.710 119.959 120.570 0.164 0.000 2.181 77 I HA -0.326 3.844 4.170 0.000 0.000 0.247 77 I C 2.475 178.764 176.117 0.286 0.000 1.081 77 I CA 1.674 63.106 61.300 0.221 0.000 1.340 77 I CB -0.442 37.730 38.000 0.287 0.000 1.036 77 I HN 0.315 nan 8.210 nan 0.000 0.417 78 L N 0.010 121.425 121.223 0.319 0.000 2.275 78 L HA -0.154 4.186 4.340 0.000 0.000 0.215 78 L C 2.684 179.780 176.870 0.377 0.000 1.119 78 L CA 1.083 56.170 54.840 0.411 0.000 0.790 78 L CB -0.318 41.970 42.059 0.382 0.000 0.919 78 L HN 0.149 nan 8.230 nan 0.000 0.443 79 R N -0.577 120.079 120.500 0.260 0.000 2.127 79 R HA -0.021 4.319 4.340 0.000 0.000 0.217 79 R C 2.349 178.834 176.300 0.309 0.000 1.074 79 R CA 0.497 56.743 56.100 0.242 0.000 0.991 79 R CB 0.091 30.464 30.300 0.121 0.000 0.895 79 R HN 0.222 nan 8.270 nan 0.000 0.450 80 R N -0.766 119.888 120.500 0.256 0.000 2.120 80 R HA -0.194 4.146 4.340 0.000 0.000 0.234 80 R C 1.733 178.204 176.300 0.285 0.000 1.123 80 R CA 1.478 57.713 56.100 0.225 0.000 0.975 80 R CB -0.316 30.088 30.300 0.173 0.000 0.866 80 R HN 0.343 nan 8.270 nan 0.000 0.446 81 W N 0.890 122.275 121.300 0.141 0.000 2.476 81 W HA -0.116 4.544 4.660 0.000 0.000 0.281 81 W C 1.781 178.396 176.519 0.160 0.000 1.230 81 W CA 0.211 57.630 57.345 0.123 0.000 1.287 81 W CB -0.533 29.001 29.460 0.123 0.000 1.108 81 W HN -0.026 nan 8.180 nan 0.000 0.567 82 F N 1.640 121.593 119.950 0.005 0.000 2.134 82 F HA -0.208 4.319 4.527 0.000 0.000 0.299 82 F C 1.906 177.662 175.800 -0.073 0.000 1.097 82 F CA 2.525 60.449 58.000 -0.126 0.000 1.264 82 F CB -0.612 38.369 39.000 -0.031 0.000 1.001 82 F HN -0.263 nan 8.300 nan 0.000 0.479 83 D N 0.618 121.003 120.400 -0.024 0.000 2.091 83 D HA -0.120 4.520 4.640 0.000 0.000 0.199 83 D C 2.439 178.669 176.300 -0.118 0.000 0.980 83 D CA 1.483 55.413 54.000 -0.116 0.000 0.831 83 D CB -0.656 40.183 40.800 0.066 0.000 0.987 83 D HN 0.309 nan 8.370 nan 0.000 0.460 84 L N 0.422 121.640 121.223 -0.009 0.000 2.263 84 L HA -0.166 4.174 4.340 0.000 0.000 0.216 84 L C 2.229 179.079 176.870 -0.033 0.000 1.111 84 L CA 0.405 55.254 54.840 0.014 0.000 0.773 84 L CB -0.164 41.956 42.059 0.101 0.000 0.906 84 L HN -0.014 nan 8.230 nan 0.000 0.439 85 V N -0.577 119.257 119.914 -0.135 0.000 2.256 85 V HA -0.236 3.884 4.120 0.000 0.000 0.240 85 V C 2.335 178.314 176.094 -0.193 0.000 1.036 85 V CA 1.162 63.355 62.300 -0.178 0.000 1.008 85 V CB -0.229 31.407 31.823 -0.311 0.000 0.648 85 V HN 0.205 nan 8.190 nan 0.000 0.453 86 I N 0.788 121.163 120.570 -0.325 0.000 2.194 86 I HA -0.300 3.870 4.170 0.000 0.000 0.246 86 I C 2.688 178.714 176.117 -0.153 0.000 1.093 86 I CA 2.143 63.273 61.300 -0.284 0.000 1.355 86 I CB -1.505 36.225 38.000 -0.450 0.000 1.046 86 I HN 0.338 nan 8.210 nan 0.000 0.413 87 A N 1.206 123.951 122.820 -0.125 0.000 1.851 87 A HA -0.207 4.113 4.320 0.000 0.000 0.216 87 A C 1.643 179.203 177.584 -0.039 0.000 1.195 87 A CA 2.022 54.022 52.037 -0.063 0.000 0.622 87 A CB -0.917 18.060 19.000 -0.038 0.000 0.831 87 A HN 0.496 nan 8.150 nan 0.000 0.444 88 N N -0.182 118.500 118.700 -0.030 0.000 2.389 88 N HA 0.144 4.884 4.740 0.000 0.000 0.237 88 N C 1.041 176.543 175.510 -0.013 0.000 1.148 88 N CA 0.627 53.673 53.050 -0.007 0.000 0.854 88 N CB 0.301 38.802 38.487 0.022 0.000 1.115 88 N HN 0.423 nan 8.380 nan 0.000 0.492 89 S N 0.860 116.540 115.700 -0.034 0.000 2.356 89 S HA -0.188 4.282 4.470 0.000 0.000 0.223 89 S C 1.149 175.742 174.600 -0.011 0.000 1.032 89 S CA 1.469 59.651 58.200 -0.030 0.000 1.005 89 S CB -0.086 63.086 63.200 -0.047 0.000 0.867 89 S HN 0.248 nan 8.310 nan 0.000 0.449 90 D N 1.539 121.932 120.400 -0.012 0.000 2.137 90 D HA -0.129 4.511 4.640 0.000 0.000 0.189 90 D C 1.731 178.029 176.300 -0.003 0.000 0.998 90 D CA 1.728 55.724 54.000 -0.006 0.000 0.839 90 D CB -0.710 40.086 40.800 -0.007 0.000 0.962 90 D HN 0.398 nan 8.370 nan 0.000 0.446 91 D N -0.153 120.245 120.400 -0.003 0.000 2.116 91 D HA -0.126 4.514 4.640 0.000 0.000 0.193 91 D C 2.347 178.647 176.300 0.000 0.000 0.998 91 D CA 0.487 54.484 54.000 -0.005 0.000 0.836 91 D CB -0.473 40.324 40.800 -0.005 0.000 0.951 91 D HN 0.188 nan 8.370 nan 0.000 0.449 92 L N 0.705 121.934 121.223 0.011 0.000 1.990 92 L HA -0.232 4.108 4.340 0.000 0.000 0.213 92 L C 2.508 179.393 176.870 0.024 0.000 1.072 92 L CA 1.495 56.350 54.840 0.024 0.000 0.755 92 L CB -0.458 41.621 42.059 0.034 0.000 0.889 92 L HN -0.007 nan 8.230 nan 0.000 0.432 93 A N -0.583 122.248 122.820 0.018 0.000 2.076 93 A HA -0.231 4.089 4.320 0.000 0.000 0.220 93 A C 2.153 179.744 177.584 0.012 0.000 1.160 93 A CA 1.804 53.851 52.037 0.017 0.000 0.653 93 A CB -0.608 18.401 19.000 0.014 0.000 0.801 93 A HN 0.389 nan 8.150 nan 0.000 0.455 94 L N -0.289 120.938 121.223 0.006 0.000 2.023 94 L HA -0.016 4.324 4.340 0.000 0.000 0.205 94 L C 2.214 179.086 176.870 0.003 0.000 1.073 94 L CA 1.686 56.527 54.840 0.001 0.000 0.745 94 L CB -0.433 41.621 42.059 -0.008 0.000 0.900 94 L HN 0.388 nan 8.230 nan 0.000 0.435 95 I N -0.534 120.036 120.570 -0.001 0.000 2.194 95 I HA -0.348 3.822 4.170 0.000 0.000 0.246 95 I C 2.501 178.648 176.117 0.049 0.000 1.093 95 I CA 1.794 63.097 61.300 0.005 0.000 1.355 95 I CB -0.350 37.652 38.000 0.003 0.000 1.046 95 I HN 0.362 nan 8.210 nan 0.000 0.413 96 L N -0.112 121.140 121.223 0.048 0.000 2.093 96 L HA -0.185 4.155 4.340 0.000 0.000 0.208 96 L C 2.442 179.332 176.870 0.033 0.000 1.085 96 L CA 1.537 56.408 54.840 0.052 0.000 0.755 96 L CB -0.233 41.849 42.059 0.039 0.000 0.904 96 L HN 0.168 nan 8.230 nan 0.000 0.435 97 T N -1.459 113.108 114.554 0.021 0.000 2.942 97 T HA -0.103 4.247 4.350 0.000 0.000 0.265 97 T C 1.665 176.379 174.700 0.024 0.000 1.062 97 T CA 1.496 63.604 62.100 0.014 0.000 1.139 97 T CB -0.101 68.773 68.868 0.010 0.000 0.883 97 T HN 0.405 nan 8.240 nan 0.000 0.468 98 T N 2.309 116.880 114.554 0.029 0.000 2.833 98 T HA -0.116 4.234 4.350 0.000 0.000 0.269 98 T C 1.929 176.670 174.700 0.069 0.000 1.054 98 T CA 1.433 63.554 62.100 0.035 0.000 1.135 98 T CB -0.130 68.744 68.868 0.009 0.000 0.869 98 T HN 0.754 nan 8.240 nan 0.000 0.466 99 E N -0.205 120.049 120.200 0.090 0.000 2.332 99 E HA 0.112 4.462 4.350 0.000 0.000 0.202 99 E C 2.206 178.838 176.600 0.055 0.000 0.877 99 E CA -0.082 56.384 56.400 0.110 0.000 0.979 99 E CB -0.238 29.576 29.700 0.190 0.000 0.969 99 E HN 0.141 nan 8.360 nan 0.000 0.495 100 Q N 1.562 121.390 119.800 0.046 0.000 2.204 100 Q HA 0.065 4.405 4.340 0.000 0.000 0.198 100 Q C 0.399 176.391 176.000 -0.013 0.000 0.946 100 Q CA 1.415 57.237 55.803 0.031 0.000 0.859 100 Q CB 0.373 29.139 28.738 0.047 0.000 0.946 100 Q HN 0.408 nan 8.270 nan 0.000 0.474 101 G N 2.327 111.117 108.800 -0.018 0.000 2.905 101 G HA2 -0.234 3.726 3.960 0.000 0.000 0.245 101 G HA3 -0.234 3.726 3.960 0.000 0.000 0.245 101 G C -0.830 174.045 174.900 -0.041 0.000 1.004 101 G CA 0.549 45.622 45.100 -0.044 0.000 1.089 101 G HN 0.379 nan 8.290 nan 0.000 0.456 102 K N 1.007 121.394 120.400 -0.022 0.000 2.598 102 K HA 0.647 4.967 4.320 0.000 0.000 0.271 102 K C -3.306 173.290 176.600 -0.007 0.000 0.947 102 K CA -2.074 54.200 56.287 -0.022 0.000 0.854 102 K CB 1.605 34.068 32.500 -0.062 0.000 1.401 102 K HN 0.068 nan 8.250 nan 0.000 0.415 103 P HA -0.143 nan 4.420 nan 0.000 0.261 103 P C 0.791 178.095 177.300 0.005 0.000 1.165 103 P CA -0.283 62.825 63.100 0.013 0.000 0.759 103 P CB 0.391 32.100 31.700 0.016 0.000 0.772 104 L N 3.284 124.513 121.223 0.010 0.000 2.263 104 L HA -0.254 4.086 4.340 0.000 0.000 0.216 104 L C 1.681 178.557 176.870 0.009 0.000 1.111 104 L CA 2.428 57.272 54.840 0.008 0.000 0.773 104 L CB -0.995 41.069 42.059 0.009 0.000 0.906 104 L HN 0.383 nan 8.230 nan 0.000 0.439 105 A N -0.488 122.339 122.820 0.011 0.000 1.874 105 A HA -0.170 4.150 4.320 0.000 0.000 0.214 105 A C 2.054 179.648 177.584 0.018 0.000 1.189 105 A CA 1.018 53.064 52.037 0.015 0.000 0.615 105 A CB -0.385 18.625 19.000 0.016 0.000 0.830 105 A HN 0.476 nan 8.150 nan 0.000 0.443 106 E N -0.074 120.133 120.200 0.011 0.000 2.085 106 E HA -0.184 4.166 4.350 0.000 0.000 0.194 106 E C 2.301 178.896 176.600 -0.008 0.000 0.994 106 E CA 1.024 57.426 56.400 0.004 0.000 0.801 106 E CB -0.291 29.399 29.700 -0.016 0.000 0.743 106 E HN 0.601 nan 8.360 nan 0.000 0.453 107 A N 1.659 124.469 122.820 -0.017 0.000 1.883 107 A HA -0.217 4.103 4.320 0.000 0.000 0.217 107 A C 2.023 179.621 177.584 0.023 0.000 1.186 107 A CA 1.325 53.355 52.037 -0.012 0.000 0.624 107 A CB -0.266 18.730 19.000 -0.007 0.000 0.822 107 A HN -0.006 nan 8.150 nan 0.000 0.444 108 K N -0.741 119.674 120.400 0.025 0.000 2.147 108 K HA -0.105 4.215 4.320 0.000 0.000 0.205 108 K C 1.895 178.527 176.600 0.054 0.000 1.049 108 K CA 1.121 57.428 56.287 0.033 0.000 0.936 108 K CB -0.654 31.860 32.500 0.022 0.000 0.722 108 K HN 0.489 nan 8.250 nan 0.000 0.446 109 G N 0.999 109.834 108.800 0.058 0.000 2.776 109 G HA2 -0.207 3.753 3.960 0.000 0.000 0.209 109 G HA3 -0.207 3.753 3.960 0.000 0.000 0.209 109 G C 1.245 176.229 174.900 0.139 0.000 1.145 109 G CA 0.434 45.585 45.100 0.085 0.000 0.791 109 G HN 0.442 nan 8.290 nan 0.000 0.530 110 E N -0.174 120.115 120.200 0.149 0.000 2.228 110 E HA 0.025 4.375 4.350 0.000 0.000 0.197 110 E C 2.077 178.816 176.600 0.231 0.000 0.909 110 E CA -0.312 56.239 56.400 0.251 0.000 0.911 110 E CB 0.052 29.887 29.700 0.225 0.000 0.887 110 E HN 0.174 nan 8.360 nan 0.000 0.481 111 I N 2.048 122.698 120.570 0.133 0.000 2.800 111 I HA -0.186 3.984 4.170 0.000 0.000 0.266 111 I C 2.153 178.306 176.117 0.061 0.000 1.249 111 I CA 1.156 62.506 61.300 0.084 0.000 1.458 111 I CB -1.527 36.496 38.000 0.038 0.000 1.093 111 I HN 0.203 nan 8.210 nan 0.000 0.466 112 A N 0.594 123.472 122.820 0.096 0.000 1.843 112 A HA -0.180 4.140 4.320 0.000 0.000 0.213 112 A C 2.294 179.942 177.584 0.107 0.000 1.239 112 A CA 0.590 52.673 52.037 0.076 0.000 0.606 112 A CB -1.228 17.819 19.000 0.079 0.000 0.903 112 A HN 0.303 nan 8.150 nan 0.000 0.455 113 Y N 0.927 121.236 120.300 0.015 0.000 2.062 113 Y HA -0.377 4.173 4.550 0.000 0.000 0.273 113 Y C 2.723 178.666 175.900 0.072 0.000 1.206 113 Y CA 2.328 60.420 58.100 -0.013 0.000 1.125 113 Y CB -0.628 37.874 38.460 0.070 0.000 0.951 113 Y HN 0.351 nan 8.280 nan 0.000 0.501 114 A N 0.087 123.109 122.820 0.337 0.000 1.873 114 A HA -0.253 4.067 4.320 0.000 0.000 0.218 114 A C 2.416 180.088 177.584 0.148 0.000 1.193 114 A CA 2.699 54.905 52.037 0.282 0.000 0.629 114 A CB -1.682 17.437 19.000 0.198 0.000 0.826 114 A HN 0.696 nan 8.150 nan 0.000 0.447 115 A N -0.079 122.776 122.820 0.058 0.000 2.015 115 A HA -0.004 4.316 4.320 0.000 0.000 0.219 115 A C 2.393 180.109 177.584 0.221 0.000 1.163 115 A CA 2.027 54.102 52.037 0.063 0.000 0.646 115 A CB -0.872 18.070 19.000 -0.096 0.000 0.806 115 A HN 1.087 nan 8.150 nan 0.000 0.448 116 S N -1.312 114.403 115.700 0.026 0.000 2.474 116 S HA -0.052 4.418 4.470 0.000 0.000 0.235 116 S C 1.509 175.941 174.600 -0.279 0.000 0.997 116 S CA 1.051 59.169 58.200 -0.137 0.000 0.949 116 S CB -0.624 62.374 63.200 -0.336 0.000 0.766 116 S HN 0.352 nan 8.310 nan 0.000 0.517 117 F N 1.639 121.531 119.950 -0.097 0.000 2.179 117 F HA 0.345 4.872 4.527 0.000 0.000 0.292 117 F C 2.204 178.088 175.800 0.140 0.000 1.089 117 F CA -0.083 57.885 58.000 -0.054 0.000 1.295 117 F CB -0.544 38.472 39.000 0.027 0.000 1.041 117 F HN 0.136 nan 8.300 nan 0.000 0.487 118 I N 0.109 120.856 120.570 0.294 0.000 2.118 118 I HA -0.347 3.823 4.170 0.000 0.000 0.241 118 I C 2.543 178.769 176.117 0.183 0.000 1.070 118 I CA 1.924 63.361 61.300 0.228 0.000 1.327 118 I CB -0.576 37.399 38.000 -0.042 0.000 1.034 118 I HN 0.232 nan 8.210 nan 0.000 0.405 119 E N 1.141 121.341 120.200 -0.000 0.000 2.005 119 E HA -0.304 4.046 4.350 0.000 0.000 0.198 119 E C 2.220 178.746 176.600 -0.123 0.000 1.010 119 E CA 1.989 58.193 56.400 -0.327 0.000 0.825 119 E CB -0.456 28.801 29.700 -0.738 0.000 0.769 119 E HN 0.574 nan 8.360 nan 0.000 0.456 120 W N 0.595 121.724 121.300 -0.284 0.000 2.290 120 W HA -0.316 4.344 4.660 -0.000 0.000 0.328 120 W C 1.850 178.224 176.519 -0.242 0.000 1.272 120 W CA 1.858 58.999 57.345 -0.340 0.000 1.262 120 W CB -0.781 28.345 29.460 -0.557 0.000 1.151 120 W HN 0.193 nan 8.180 nan 0.000 0.473 121 F N 1.006 121.077 119.950 0.201 0.000 2.171 121 F HA -0.102 4.425 4.527 0.000 0.000 0.300 121 F C 2.796 178.592 175.800 -0.008 0.000 1.090 121 F CA 1.947 60.005 58.000 0.096 0.000 1.293 121 F CB -1.593 37.537 39.000 0.216 0.000 1.013 121 F HN -0.054 nan 8.300 nan 0.000 0.486 122 A N -0.094 122.828 122.820 0.169 0.000 1.978 122 A HA -0.210 4.110 4.320 0.000 0.000 0.220 122 A C 2.119 179.679 177.584 -0.040 0.000 1.170 122 A CA 1.891 53.979 52.037 0.084 0.000 0.636 122 A CB -0.672 18.378 19.000 0.082 0.000 0.810 122 A HN 0.470 nan 8.150 nan 0.000 0.448 123 E N -0.752 119.354 120.200 -0.156 0.000 2.051 123 E HA -0.120 4.230 4.350 0.000 0.000 0.189 123 E C 1.954 178.396 176.600 -0.264 0.000 0.979 123 E CA 0.755 57.008 56.400 -0.245 0.000 0.803 123 E CB -0.145 29.334 29.700 -0.367 0.000 0.761 123 E HN 0.443 nan 8.360 nan 0.000 0.451 124 E N 0.498 120.493 120.200 -0.340 0.000 2.160 124 E HA -0.135 4.215 4.350 0.000 0.000 0.195 124 E C 2.165 178.740 176.600 -0.041 0.000 0.991 124 E CA 1.040 57.308 56.400 -0.219 0.000 0.810 124 E CB -0.411 29.221 29.700 -0.114 0.000 0.742 124 E HN 0.351 nan 8.360 nan 0.000 0.466 125 G N 0.972 109.777 108.800 0.009 0.000 2.448 125 G HA2 -0.244 3.716 3.960 0.000 0.000 0.219 125 G HA3 -0.244 3.716 3.960 0.000 0.000 0.219 125 G C 1.410 176.299 174.900 -0.018 0.000 1.127 125 G CA 0.463 45.578 45.100 0.024 0.000 0.766 125 G HN 0.234 nan 8.290 nan 0.000 0.552 126 K N -0.279 120.091 120.400 -0.049 0.000 2.417 126 K HA 0.203 4.523 4.320 0.000 0.000 0.196 126 K C 1.365 177.928 176.600 -0.060 0.000 1.023 126 K CA -0.054 56.198 56.287 -0.058 0.000 1.122 126 K CB 0.391 32.849 32.500 -0.069 0.000 0.850 126 K HN 0.158 nan 8.250 nan 0.000 0.521 127 R N 0.326 120.791 120.500 -0.058 0.000 2.572 127 R HA 0.146 4.486 4.340 0.000 0.000 0.370 127 R C -0.476 175.802 176.300 -0.036 0.000 1.005 127 R CA -0.172 55.891 56.100 -0.061 0.000 1.146 127 R CB 1.127 31.372 30.300 -0.093 0.000 1.390 127 R HN -0.124 nan 8.270 nan 0.000 0.553 128 V N 2.225 122.132 119.914 -0.011 0.000 2.425 128 V HA 0.226 4.346 4.120 0.000 0.000 0.276 128 V C 0.459 176.552 176.094 -0.002 0.000 1.017 128 V CA -0.099 62.208 62.300 0.012 0.000 1.062 128 V CB 0.544 32.390 31.823 0.039 0.000 0.997 128 V HN 0.227 nan 8.190 nan 0.000 0.476 129 A N 4.614 127.428 122.820 -0.010 0.000 2.340 129 A HA 0.904 5.224 4.320 0.000 0.000 0.331 129 A C 0.413 177.995 177.584 -0.004 0.000 1.140 129 A CA -0.004 52.024 52.037 -0.016 0.000 0.801 129 A CB 1.517 20.496 19.000 -0.035 0.000 1.234 129 A HN 0.883 nan 8.150 nan 0.000 0.469 130 G N 0.116 108.917 108.800 0.001 0.000 2.613 130 G HA2 0.593 4.553 3.960 0.000 0.000 0.303 130 G HA3 0.593 4.553 3.960 0.000 0.000 0.303 130 G C -1.203 173.699 174.900 0.003 0.000 1.312 130 G CA -0.576 44.530 45.100 0.010 0.000 1.036 130 G HN 0.695 nan 8.290 nan 0.000 0.513 131 D N -0.942 119.464 120.400 0.011 0.000 2.350 131 D HA 0.522 5.162 4.640 0.000 0.000 0.238 131 D C -0.232 176.077 176.300 0.016 0.000 0.989 131 D CA -0.516 53.487 54.000 0.006 0.000 0.921 131 D CB 1.674 42.474 40.800 0.001 0.000 1.297 131 D HN 0.455 nan 8.370 nan 0.000 0.490 132 T N -0.917 113.643 114.554 0.010 0.000 2.788 132 T HA 0.631 4.981 4.350 0.000 0.000 0.296 132 T C -0.305 174.402 174.700 0.012 0.000 1.009 132 T CA -0.826 61.284 62.100 0.017 0.000 0.949 132 T CB -0.010 68.865 68.868 0.011 0.000 0.946 132 T HN 0.224 nan 8.240 nan 0.000 0.453 133 L N 3.785 125.018 121.223 0.017 0.000 2.344 133 L HA 0.586 4.926 4.340 0.000 0.000 0.272 133 L C -2.193 174.682 176.870 0.009 0.000 1.035 133 L CA -2.698 52.146 54.840 0.006 0.000 0.807 133 L CB 1.522 43.576 42.059 -0.007 0.000 1.237 133 L HN 0.437 nan 8.230 nan 0.000 0.442 134 P HA 0.095 nan 4.420 nan 0.000 0.282 134 P C -0.323 176.980 177.300 0.005 0.000 1.274 134 P CA -0.294 62.808 63.100 0.004 0.000 0.770 134 P CB 0.867 32.567 31.700 -0.000 0.000 0.867 135 T N 4.117 118.679 114.554 0.013 0.000 2.932 135 T HA 0.155 4.505 4.350 0.000 0.000 0.312 135 T C -1.170 173.536 174.700 0.011 0.000 1.071 135 T CA -1.004 61.108 62.100 0.018 0.000 1.128 135 T CB -0.136 68.748 68.868 0.027 0.000 0.984 135 T HN 0.323 nan 8.240 nan 0.000 0.549 136 P HA 0.325 nan 4.420 nan 0.000 0.261 136 P C -0.663 176.644 177.300 0.011 0.000 1.352 136 P CA 0.123 63.227 63.100 0.006 0.000 0.891 136 P CB 0.296 31.997 31.700 0.001 0.000 1.383 137 D N -0.133 120.277 120.400 0.017 0.000 2.613 137 D HA 0.305 4.945 4.640 0.000 0.000 0.230 137 D C 0.663 176.973 176.300 0.017 0.000 1.365 137 D CA -0.448 53.563 54.000 0.017 0.000 0.976 137 D CB 1.950 42.764 40.800 0.024 0.000 1.415 137 D HN -0.144 nan 8.370 nan 0.000 0.589 138 A N 3.757 126.584 122.820 0.012 0.000 2.076 138 A HA -0.179 4.141 4.320 0.000 0.000 0.220 138 A C 1.400 178.990 177.584 0.010 0.000 1.160 138 A CA 1.125 53.168 52.037 0.010 0.000 0.653 138 A CB -0.194 18.809 19.000 0.006 0.000 0.801 138 A HN 0.513 nan 8.150 nan 0.000 0.455 139 N N -0.298 118.409 118.700 0.011 0.000 2.322 139 N HA 0.116 4.856 4.740 0.000 0.000 0.194 139 N C -0.398 175.120 175.510 0.012 0.000 1.126 139 N CA 0.480 53.536 53.050 0.010 0.000 0.845 139 N CB 0.268 38.760 38.487 0.008 0.000 0.976 139 N HN 0.479 nan 8.380 nan 0.000 0.475 140 K N 0.052 120.463 120.400 0.019 0.000 2.469 140 K HA 0.473 4.793 4.320 0.000 0.000 0.254 140 K C -0.900 175.720 176.600 0.033 0.000 0.939 140 K CA -0.878 55.425 56.287 0.027 0.000 0.812 140 K CB 2.074 34.598 32.500 0.041 0.000 1.301 140 K HN -0.272 nan 8.250 nan 0.000 0.433 141 R N 1.638 122.159 120.500 0.036 0.000 2.534 141 R HA 0.510 4.850 4.340 0.000 0.000 0.301 141 R C -0.694 175.652 176.300 0.076 0.000 0.961 141 R CA -0.682 55.443 56.100 0.042 0.000 0.871 141 R CB 0.778 31.091 30.300 0.023 0.000 1.170 141 R HN 0.588 nan 8.270 nan 0.000 0.446 142 I N 3.474 124.102 120.570 0.096 0.000 2.328 142 I HA 0.367 4.537 4.170 0.000 0.000 0.287 142 I C -0.429 175.758 176.117 0.116 0.000 1.012 142 I CA -0.884 60.514 61.300 0.164 0.000 1.195 142 I CB 1.449 39.537 38.000 0.148 0.000 1.350 142 I HN 0.048 nan 8.210 nan 0.000 0.464 143 V N 7.172 127.163 119.914 0.128 0.000 2.680 143 V HA 0.484 4.604 4.120 0.000 0.000 0.309 143 V C -0.226 175.941 176.094 0.122 0.000 1.052 143 V CA -0.724 61.627 62.300 0.085 0.000 0.908 143 V CB 2.652 34.499 31.823 0.040 0.000 1.001 143 V HN 0.370 nan 8.190 nan 0.000 0.431 144 V N 4.909 124.875 119.914 0.088 0.000 2.443 144 V HA 0.554 4.674 4.120 0.000 0.000 0.293 144 V C -0.230 175.897 176.094 0.055 0.000 1.021 144 V CA -0.488 61.868 62.300 0.093 0.000 0.848 144 V CB 2.012 33.884 31.823 0.081 0.000 0.998 144 V HN 0.778 nan 8.190 nan 0.000 0.424 145 V N 2.840 122.786 119.914 0.052 0.000 3.096 145 V HA 0.755 4.875 4.120 0.000 0.000 0.319 145 V C -0.525 175.595 176.094 0.044 0.000 1.103 145 V CA -0.975 61.346 62.300 0.035 0.000 1.016 145 V CB 2.067 33.901 31.823 0.020 0.000 1.090 145 V HN 0.774 nan 8.190 nan 0.000 0.449 146 K N 1.178 121.601 120.400 0.039 0.000 2.397 146 K HA 0.660 4.980 4.320 0.000 0.000 0.253 146 K C -1.096 175.538 176.600 0.058 0.000 0.932 146 K CA -0.424 55.896 56.287 0.054 0.000 0.795 146 K CB 2.499 35.032 32.500 0.056 0.000 1.159 146 K HN 0.858 nan 8.250 nan 0.000 0.424 147 E N 2.638 122.887 120.200 0.081 0.000 2.277 147 E HA 0.340 4.690 4.350 0.000 0.000 0.266 147 E C -2.554 174.145 176.600 0.166 0.000 0.901 147 E CA -2.390 54.071 56.400 0.101 0.000 0.782 147 E CB 1.989 31.745 29.700 0.093 0.000 1.228 147 E HN 0.268 nan 8.360 nan 0.000 0.424 148 P HA -0.027 nan 4.420 nan 0.000 0.268 148 P C 0.349 177.889 177.300 0.400 0.000 1.204 148 P CA 0.432 63.739 63.100 0.344 0.000 0.768 148 P CB 0.814 32.823 31.700 0.516 0.000 0.842 149 I N 1.209 121.916 120.570 0.227 0.000 2.439 149 I HA -0.006 4.164 4.170 0.000 0.000 0.251 149 I C 1.003 177.087 176.117 -0.055 0.000 1.139 149 I CA 1.780 63.149 61.300 0.116 0.000 1.438 149 I CB -0.247 37.767 38.000 0.024 0.000 1.085 149 I HN 0.687 nan 8.210 nan 0.000 0.427 150 G N -0.614 107.960 108.800 -0.377 0.000 2.278 150 G HA2 -0.069 3.891 3.960 0.000 0.000 0.265 150 G HA3 -0.069 3.891 3.960 0.000 0.000 0.265 150 G C -0.860 173.535 174.900 -0.842 0.000 1.329 150 G CA -0.318 44.014 45.100 -1.279 0.000 1.017 150 G HN -0.065 nan 8.290 nan 0.000 0.472 151 V N 0.814 120.298 119.914 -0.718 0.000 2.458 151 V HA 0.295 4.415 4.120 0.000 0.000 0.287 151 V C 1.002 176.961 176.094 -0.225 0.000 1.009 151 V CA 0.150 62.219 62.300 -0.386 0.000 1.091 151 V CB -0.573 31.090 31.823 -0.267 0.000 0.960 151 V HN 0.869 nan 8.190 nan 0.000 0.476 152 C N 4.064 123.280 119.300 -0.140 0.000 2.345 152 C HA 0.985 5.445 4.460 0.000 0.000 0.370 152 C C 0.546 175.514 174.990 -0.037 0.000 1.209 152 C CA -0.638 58.349 59.018 -0.051 0.000 2.133 152 C CB 1.092 28.874 27.740 0.070 0.000 2.293 152 C HN 1.044 nan 8.230 nan 0.000 0.544 153 A N 0.178 122.994 122.820 -0.006 0.000 2.520 153 A HA 0.897 5.217 4.320 0.000 0.000 0.298 153 A C -0.953 176.656 177.584 0.041 0.000 1.051 153 A CA -0.142 51.897 52.037 0.003 0.000 0.690 153 A CB 1.085 20.078 19.000 -0.012 0.000 1.281 153 A HN 1.651 nan 8.150 nan 0.000 0.402 154 A N 1.242 124.091 122.820 0.048 0.000 2.401 154 A HA 0.832 5.152 4.320 0.000 0.000 0.310 154 A C -1.020 176.613 177.584 0.080 0.000 1.075 154 A CA -0.409 51.670 52.037 0.071 0.000 0.746 154 A CB 0.888 19.924 19.000 0.061 0.000 1.277 154 A HN 0.815 nan 8.150 nan 0.000 0.425 155 I N 2.468 123.112 120.570 0.123 0.000 2.437 155 I HA 0.308 4.478 4.170 0.000 0.000 0.279 155 I C 0.204 176.337 176.117 0.028 0.000 1.028 155 I CA -0.227 61.164 61.300 0.151 0.000 1.142 155 I CB 1.993 40.197 38.000 0.339 0.000 1.266 155 I HN 0.759 nan 8.210 nan 0.000 0.461 156 T N 3.853 118.403 114.554 -0.006 0.000 2.929 156 T HA 0.653 5.003 4.350 0.000 0.000 0.284 156 T C -2.479 172.171 174.700 -0.082 0.000 1.014 156 T CA -1.857 60.197 62.100 -0.077 0.000 1.051 156 T CB 2.080 70.936 68.868 -0.019 0.000 1.028 156 T HN 0.171 nan 8.240 nan 0.000 0.485 157 P HA 0.332 nan 4.420 nan 0.000 0.338 157 P C 0.696 177.937 177.300 -0.099 0.000 1.308 157 P CA -0.537 62.427 63.100 -0.226 0.000 0.753 157 P CB 0.710 32.104 31.700 -0.510 0.000 1.579 158 W N -0.436 120.853 121.300 -0.017 0.000 2.915 158 W HA 0.091 4.751 4.660 0.000 0.000 0.276 158 W C 0.916 177.428 176.519 -0.011 0.000 1.215 158 W CA 0.356 57.694 57.345 -0.011 0.000 1.514 158 W CB -1.753 27.690 29.460 -0.028 0.000 1.017 158 W HN 0.159 nan 8.180 nan 0.000 0.598 159 N N 1.593 120.154 118.700 -0.232 0.000 2.381 159 N HA -0.156 4.585 4.740 0.000 0.000 0.182 159 N C -0.113 175.319 175.510 -0.129 0.000 1.025 159 N CA 0.729 53.714 53.050 -0.107 0.000 0.888 159 N CB -1.076 37.212 38.487 -0.331 0.000 0.965 159 N HN 0.089 nan 8.380 nan 0.000 0.438 160 F N 0.511 120.420 119.950 -0.067 0.000 2.646 160 F HA 0.371 4.898 4.527 0.000 0.000 0.336 160 F C -1.789 174.021 175.800 0.016 0.000 1.437 160 F CA -1.936 56.052 58.000 -0.021 0.000 1.142 160 F CB 1.920 40.885 39.000 -0.058 0.000 1.530 160 F HN -0.131 nan 8.300 nan 0.000 0.591 161 P HA -0.080 nan 4.420 nan 0.000 0.231 161 P C 0.894 178.281 177.300 0.145 0.000 1.158 161 P CA 1.072 64.251 63.100 0.133 0.000 0.763 161 P CB 0.511 32.287 31.700 0.127 0.000 0.805 162 A N -0.131 122.792 122.820 0.171 0.000 1.988 162 A HA 0.476 4.796 4.320 0.000 0.000 0.198 162 A C 2.324 180.029 177.584 0.202 0.000 1.507 162 A CA 0.802 52.944 52.037 0.176 0.000 0.901 162 A CB -1.066 18.029 19.000 0.157 0.000 1.007 162 A HN 0.095 nan 8.150 nan 0.000 0.502 163 A N -0.013 122.975 122.820 0.281 0.000 1.892 163 A HA -0.203 4.117 4.320 0.000 0.000 0.218 163 A C 2.119 179.789 177.584 0.144 0.000 1.188 163 A CA 2.225 54.458 52.037 0.326 0.000 0.631 163 A CB -0.642 18.679 19.000 0.536 0.000 0.822 163 A HN 0.397 nan 8.150 nan 0.000 0.447 164 M N -1.149 118.518 119.600 0.113 0.000 2.267 164 M HA -0.120 4.360 4.480 0.000 0.000 0.263 164 M C 1.942 178.249 176.300 0.010 0.000 1.063 164 M CA 1.145 56.444 55.300 -0.001 0.000 1.090 164 M CB -1.244 31.358 32.600 0.004 0.000 1.392 164 M HN 0.353 nan 8.290 nan 0.000 0.422 165 I N 0.425 121.046 120.570 0.084 0.000 2.193 165 I HA -0.134 4.036 4.170 0.000 0.000 0.240 165 I C 2.619 178.826 176.117 0.149 0.000 1.084 165 I CA 1.456 62.831 61.300 0.125 0.000 1.365 165 I CB -1.178 36.935 38.000 0.188 0.000 1.064 165 I HN 0.190 nan 8.210 nan 0.000 0.410 166 A N -0.136 122.777 122.820 0.155 0.000 1.972 166 A HA -0.195 4.125 4.320 0.000 0.000 0.219 166 A C 2.416 180.036 177.584 0.060 0.000 1.169 166 A CA 1.343 53.483 52.037 0.171 0.000 0.635 166 A CB -0.647 18.433 19.000 0.133 0.000 0.810 166 A HN 0.315 nan 8.150 nan 0.000 0.446 167 R N -1.061 119.332 120.500 -0.179 0.000 2.341 167 R HA -0.051 4.289 4.340 0.000 0.000 0.213 167 R C 1.289 177.430 176.300 -0.264 0.000 1.082 167 R CA 1.395 57.223 56.100 -0.453 0.000 1.017 167 R CB -0.015 29.901 30.300 -0.640 0.000 0.860 167 R HN 0.540 nan 8.270 nan 0.000 0.473 168 K N -2.106 118.205 120.400 -0.148 0.000 2.556 168 K HA 0.105 4.425 4.320 0.000 0.000 0.201 168 K C 1.516 178.027 176.600 -0.148 0.000 1.423 168 K CA 0.031 56.241 56.287 -0.129 0.000 1.010 168 K CB 0.620 33.109 32.500 -0.017 0.000 1.409 168 K HN -0.132 nan 8.250 nan 0.000 0.538 169 V N 1.430 121.333 119.914 -0.019 0.000 2.427 169 V HA -0.136 3.984 4.120 0.000 0.000 0.248 169 V C 2.197 178.306 176.094 0.026 0.000 1.051 169 V CA 2.353 64.663 62.300 0.015 0.000 1.048 169 V CB -0.738 31.163 31.823 0.131 0.000 0.666 169 V HN 0.483 nan 8.190 nan 0.000 0.456 170 G N 1.289 110.151 108.800 0.102 0.000 2.453 170 G HA2 -0.182 3.778 3.960 0.000 0.000 0.215 170 G HA3 -0.182 3.778 3.960 0.000 0.000 0.215 170 G C 0.037 174.842 174.900 -0.159 0.000 1.201 170 G CA 1.221 46.434 45.100 0.188 0.000 0.784 170 G HN 0.550 nan 8.290 nan 0.000 0.545 171 P HA -0.069 nan 4.420 nan 0.000 0.216 171 P C 2.123 179.005 177.300 -0.697 0.000 1.153 171 P CA 2.093 64.566 63.100 -1.046 0.000 0.848 171 P CB -0.265 30.523 31.700 -1.520 0.000 0.787 172 A N -0.443 121.882 122.820 -0.825 0.000 1.908 172 A HA -0.177 4.143 4.320 0.000 0.000 0.218 172 A C 2.230 179.823 177.584 0.015 0.000 1.181 172 A CA 1.744 53.545 52.037 -0.394 0.000 0.627 172 A CB -1.584 17.286 19.000 -0.217 0.000 0.818 172 A HN 0.112 nan 8.150 nan 0.000 0.445 173 L N -0.878 120.398 121.223 0.089 0.000 2.131 173 L HA 0.057 4.397 4.340 0.000 0.000 0.206 173 L C 2.955 180.126 176.870 0.502 0.000 1.087 173 L CA 1.492 56.590 54.840 0.429 0.000 0.767 173 L CB -0.716 41.517 42.059 0.290 0.000 0.917 173 L HN 0.361 nan 8.230 nan 0.000 0.441 174 A N -0.259 122.715 122.820 0.258 0.000 1.883 174 A HA -0.218 4.102 4.320 0.000 0.000 0.217 174 A C 2.463 180.111 177.584 0.107 0.000 1.186 174 A CA 1.879 54.017 52.037 0.168 0.000 0.624 174 A CB -1.000 18.099 19.000 0.165 0.000 0.822 174 A HN 0.373 nan 8.150 nan 0.000 0.444 175 A N -1.920 120.970 122.820 0.117 0.000 2.070 175 A HA 0.304 4.624 4.320 0.000 0.000 0.220 175 A C 1.935 179.618 177.584 0.165 0.000 1.159 175 A CA 1.737 53.857 52.037 0.139 0.000 0.656 175 A CB -0.966 18.142 19.000 0.180 0.000 0.800 175 A HN 2.091 nan 8.150 nan 0.000 0.453 176 G N -2.845 106.087 108.800 0.221 0.000 2.145 176 G HA2 -0.154 3.806 3.960 0.000 0.000 0.176 176 G HA3 -0.154 3.806 3.960 0.000 0.000 0.176 176 G C -0.095 175.176 174.900 0.618 0.000 1.013 176 G CA -0.197 45.028 45.100 0.208 0.000 0.689 176 G HN 0.703 nan 8.290 nan 0.000 0.506 177 C N 1.089 120.738 119.300 0.582 0.000 2.454 177 C HA 0.879 5.339 4.460 0.000 0.000 0.336 177 C C -1.412 173.703 174.990 0.209 0.000 1.189 177 C CA -1.416 57.810 59.018 0.347 0.000 1.877 177 C CB 2.036 29.853 27.740 0.129 0.000 2.348 177 C HN 0.426 nan 8.230 nan 0.000 0.508 178 P HA 0.631 nan 4.420 nan 0.000 0.282 178 P C -1.069 176.144 177.300 -0.145 0.000 1.287 178 P CA -0.264 62.741 63.100 -0.159 0.000 0.792 178 P CB 1.279 32.897 31.700 -0.136 0.000 1.163 179 I N -1.362 119.114 120.570 -0.155 0.000 2.842 179 I HA 0.314 4.484 4.170 0.000 0.000 0.297 179 I C -1.660 174.396 176.117 -0.102 0.000 1.380 179 I CA -1.096 60.141 61.300 -0.104 0.000 1.018 179 I CB 2.324 40.280 38.000 -0.073 0.000 1.311 179 I HN -0.062 nan 8.210 nan 0.000 0.439 180 V N 6.690 126.562 119.914 -0.070 0.000 2.487 180 V HA 0.540 4.660 4.120 0.000 0.000 0.298 180 V C -0.646 175.432 176.094 -0.025 0.000 1.028 180 V CA -0.601 61.663 62.300 -0.060 0.000 0.860 180 V CB 1.824 33.610 31.823 -0.062 0.000 0.991 180 V HN 0.403 nan 8.190 nan 0.000 0.427 181 V N 4.621 124.527 119.914 -0.014 0.000 2.540 181 V HA 0.513 4.633 4.120 0.000 0.000 0.302 181 V C -0.066 176.043 176.094 0.025 0.000 1.035 181 V CA -0.890 61.419 62.300 0.015 0.000 0.873 181 V CB 2.055 33.893 31.823 0.025 0.000 0.992 181 V HN 0.763 nan 8.190 nan 0.000 0.428 182 K N 7.327 127.751 120.400 0.040 0.000 2.347 182 K HA 0.435 4.755 4.320 0.000 0.000 0.262 182 K C -2.687 173.951 176.600 0.064 0.000 1.052 182 K CA -1.864 54.453 56.287 0.051 0.000 0.946 182 K CB 1.912 34.444 32.500 0.053 0.000 1.220 182 K HN 0.374 nan 8.250 nan 0.000 0.450 183 P HA 0.102 nan 4.420 nan 0.000 0.276 183 P C -0.678 176.674 177.300 0.087 0.000 1.252 183 P CA -0.491 62.652 63.100 0.070 0.000 0.802 183 P CB 0.600 32.340 31.700 0.067 0.000 1.035 184 A N 0.835 123.720 122.820 0.110 0.000 2.546 184 A HA 0.309 4.629 4.320 0.000 0.000 0.243 184 A C 1.747 179.410 177.584 0.132 0.000 1.063 184 A CA 0.594 52.729 52.037 0.163 0.000 0.757 184 A CB -0.951 18.223 19.000 0.289 0.000 0.991 184 A HN 0.650 nan 8.150 nan 0.000 0.503 185 E N 2.067 122.342 120.200 0.125 0.000 2.209 185 E HA -0.164 4.186 4.350 0.000 0.000 0.196 185 E C 2.229 178.897 176.600 0.114 0.000 0.993 185 E CA 1.878 58.366 56.400 0.146 0.000 0.819 185 E CB -0.601 29.155 29.700 0.094 0.000 0.745 185 E HN 0.823 nan 8.360 nan 0.000 0.477 186 S N -0.077 115.657 115.700 0.058 0.000 2.356 186 S HA -0.081 4.389 4.470 0.000 0.000 0.223 186 S C 1.567 176.151 174.600 -0.027 0.000 1.032 186 S CA 1.791 59.978 58.200 -0.022 0.000 1.005 186 S CB -0.167 62.943 63.200 -0.150 0.000 0.867 186 S HN 0.798 nan 8.310 nan 0.000 0.449 187 T N -0.333 114.239 114.554 0.031 0.000 3.327 187 T HA 0.492 4.842 4.350 0.000 0.000 0.373 187 T C -2.311 172.383 174.700 -0.010 0.000 1.589 187 T CA -1.345 60.772 62.100 0.028 0.000 1.497 187 T CB 1.663 70.603 68.868 0.121 0.000 1.032 187 T HN 0.162 nan 8.240 nan 0.000 0.640 188 P HA 0.223 nan 4.420 nan 0.000 0.252 188 P C 0.903 178.123 177.300 -0.134 0.000 1.218 188 P CA -0.148 62.846 63.100 -0.178 0.000 0.807 188 P CB -0.002 31.513 31.700 -0.308 0.000 1.072 189 F N 1.115 121.072 119.950 0.012 0.000 2.128 189 F HA -0.080 4.447 4.527 0.000 0.000 0.295 189 F C 2.620 178.440 175.800 0.033 0.000 1.100 189 F CA 1.218 59.210 58.000 -0.012 0.000 1.260 189 F CB -1.574 37.389 39.000 -0.062 0.000 1.009 189 F HN -0.126 nan 8.300 nan 0.000 0.476 190 S N 0.385 116.224 115.700 0.232 0.000 2.378 190 S HA -0.336 4.134 4.470 0.000 0.000 0.229 190 S C 2.385 177.095 174.600 0.183 0.000 1.052 190 S CA 1.553 59.858 58.200 0.176 0.000 1.084 190 S CB -1.002 62.285 63.200 0.146 0.000 0.950 190 S HN 0.401 nan 8.310 nan 0.000 0.440 191 A N 1.006 123.924 122.820 0.165 0.000 1.908 191 A HA -0.078 4.242 4.320 0.000 0.000 0.218 191 A C 2.142 179.846 177.584 0.200 0.000 1.181 191 A CA 1.478 53.615 52.037 0.167 0.000 0.627 191 A CB -0.733 18.340 19.000 0.122 0.000 0.818 191 A HN 0.484 nan 8.150 nan 0.000 0.445 192 L N -1.094 120.263 121.223 0.223 0.000 2.217 192 L HA -0.095 4.245 4.340 0.000 0.000 0.211 192 L C 3.018 180.111 176.870 0.373 0.000 1.107 192 L CA 0.696 55.731 54.840 0.325 0.000 0.783 192 L CB -0.477 41.799 42.059 0.362 0.000 0.919 192 L HN 0.436 nan 8.230 nan 0.000 0.442 193 A N -0.039 122.943 122.820 0.270 0.000 1.858 193 A HA -0.251 4.069 4.320 0.000 0.000 0.216 193 A C 2.273 180.046 177.584 0.315 0.000 1.190 193 A CA 1.776 53.963 52.037 0.250 0.000 0.617 193 A CB -0.504 18.599 19.000 0.172 0.000 0.827 193 A HN 0.276 nan 8.150 nan 0.000 0.443 194 M N -0.264 119.523 119.600 0.311 0.000 2.144 194 M HA -0.194 4.286 4.480 0.000 0.000 0.260 194 M C 2.366 178.889 176.300 0.371 0.000 1.067 194 M CA 1.621 57.185 55.300 0.441 0.000 1.095 194 M CB -0.365 32.519 32.600 0.472 0.000 1.365 194 M HN 0.493 nan 8.290 nan 0.000 0.406 195 A N -0.586 122.362 122.820 0.212 0.000 1.883 195 A HA -0.214 4.106 4.320 0.000 0.000 0.217 195 A C 2.012 179.571 177.584 -0.041 0.000 1.186 195 A CA 1.643 53.665 52.037 -0.026 0.000 0.624 195 A CB -1.062 17.881 19.000 -0.094 0.000 0.822 195 A HN 0.514 nan 8.150 nan 0.000 0.444 196 F N 0.550 120.577 119.950 0.128 0.000 2.113 196 F HA -0.077 4.450 4.527 0.000 0.000 0.297 196 F C 2.023 177.871 175.800 0.080 0.000 1.103 196 F CA 1.308 59.412 58.000 0.174 0.000 1.248 196 F CB -0.346 38.757 39.000 0.172 0.000 0.999 196 F HN 0.116 nan 8.300 nan 0.000 0.475 197 L N -0.394 120.948 121.223 0.198 0.000 2.079 197 L HA -0.238 4.102 4.340 0.000 0.000 0.210 197 L C 2.658 179.620 176.870 0.152 0.000 1.081 197 L CA 1.316 56.269 54.840 0.187 0.000 0.752 197 L CB -1.309 40.964 42.059 0.356 0.000 0.896 197 L HN 0.212 nan 8.230 nan 0.000 0.433 198 A N -0.438 122.352 122.820 -0.050 0.000 2.014 198 A HA -0.214 4.106 4.320 0.000 0.000 0.218 198 A C 2.265 179.652 177.584 -0.329 0.000 1.163 198 A CA 1.521 53.229 52.037 -0.548 0.000 0.652 198 A CB -0.343 18.055 19.000 -1.004 0.000 0.808 198 A HN 0.488 nan 8.150 nan 0.000 0.449 199 E N -0.213 119.817 120.200 -0.283 0.000 2.072 199 E HA -0.113 4.237 4.350 0.000 0.000 0.190 199 E C 2.087 178.578 176.600 -0.181 0.000 0.982 199 E CA 0.630 56.894 56.400 -0.226 0.000 0.803 199 E CB -0.081 29.470 29.700 -0.249 0.000 0.755 199 E HN 0.529 nan 8.360 nan 0.000 0.453 200 R N -0.287 120.059 120.500 -0.256 0.000 2.276 200 R HA 0.075 4.415 4.340 0.000 0.000 0.203 200 R C 1.886 178.148 176.300 -0.063 0.000 1.017 200 R CA 0.601 56.588 56.100 -0.189 0.000 1.010 200 R CB 0.127 30.256 30.300 -0.285 0.000 0.900 200 R HN 0.112 nan 8.270 nan 0.000 0.469 201 A N 0.059 122.867 122.820 -0.020 0.000 2.206 201 A HA 0.171 4.491 4.320 0.000 0.000 0.211 201 A C 1.451 179.068 177.584 0.055 0.000 1.158 201 A CA 1.011 53.088 52.037 0.068 0.000 0.761 201 A CB 0.022 19.137 19.000 0.191 0.000 0.801 201 A HN 0.429 nan 8.150 nan 0.000 0.473 202 G N -1.919 106.884 108.800 0.006 0.000 2.195 202 G HA2 -0.198 3.762 3.960 0.000 0.000 0.224 202 G HA3 -0.198 3.762 3.960 0.000 0.000 0.224 202 G C 0.234 175.150 174.900 0.026 0.000 0.990 202 G CA -0.085 45.033 45.100 0.031 0.000 0.639 202 G HN 0.765 nan 8.290 nan 0.000 0.514 203 V N 3.224 123.110 119.914 -0.047 0.000 2.539 203 V HA 0.213 4.333 4.120 0.000 0.000 0.300 203 V C -0.731 175.289 176.094 -0.123 0.000 1.019 203 V CA -0.033 62.177 62.300 -0.150 0.000 1.160 203 V CB 0.384 31.994 31.823 -0.354 0.000 0.901 203 V HN 0.269 nan 8.190 nan 0.000 0.481 204 P HA 0.237 nan 4.420 nan 0.000 0.271 204 P C -0.046 177.208 177.300 -0.077 0.000 1.238 204 P CA -0.169 62.914 63.100 -0.028 0.000 0.794 204 P CB 0.361 32.094 31.700 0.055 0.000 0.959 205 K N 0.839 121.216 120.400 -0.039 0.000 2.383 205 K HA 0.451 4.771 4.320 0.000 0.000 0.286 205 K C 1.222 177.755 176.600 -0.112 0.000 1.051 205 K CA 0.151 56.393 56.287 -0.075 0.000 0.974 205 K CB -0.997 31.473 32.500 -0.051 0.000 0.968 205 K HN 0.903 nan 8.250 nan 0.000 0.475 206 G N 0.291 108.983 108.800 -0.181 0.000 2.284 206 G HA2 -0.263 3.697 3.960 0.000 0.000 0.216 206 G HA3 -0.263 3.697 3.960 0.000 0.000 0.216 206 G C 1.320 176.105 174.900 -0.192 0.000 1.009 206 G CA 0.374 45.372 45.100 -0.170 0.000 0.625 206 G HN 1.052 nan 8.290 nan 0.000 0.501 207 V N 0.491 120.254 119.914 -0.252 0.000 2.970 207 V HA 0.373 4.493 4.120 0.000 0.000 0.260 207 V C 0.855 176.730 176.094 -0.366 0.000 1.100 207 V CA 1.874 63.936 62.300 -0.396 0.000 1.122 207 V CB 0.116 31.478 31.823 -0.768 0.000 0.721 207 V HN 0.574 nan 8.190 nan 0.000 0.483 208 L N -0.751 120.307 121.223 -0.274 0.000 2.431 208 L HA 0.685 5.026 4.340 0.000 0.000 0.266 208 L C -0.750 176.030 176.870 -0.150 0.000 0.978 208 L CA 0.089 54.807 54.840 -0.202 0.000 0.822 208 L CB 2.341 44.271 42.059 -0.216 0.000 1.310 208 L HN -0.073 nan 8.230 nan 0.000 0.409 209 S N 3.025 118.648 115.700 -0.128 0.000 2.547 209 S HA 0.805 5.275 4.470 0.000 0.000 0.281 209 S C -1.297 173.267 174.600 -0.060 0.000 1.118 209 S CA -0.568 57.550 58.200 -0.136 0.000 0.947 209 S CB 2.087 65.191 63.200 -0.161 0.000 1.053 209 S HN 0.400 nan 8.310 nan 0.000 0.482 210 V N 3.471 123.364 119.914 -0.034 0.000 2.378 210 V HA 0.501 4.621 4.120 0.000 0.000 0.288 210 V C -0.593 175.497 176.094 -0.007 0.000 1.016 210 V CA -0.582 61.718 62.300 -0.001 0.000 0.840 210 V CB 1.579 33.423 31.823 0.036 0.000 0.994 210 V HN 0.701 nan 8.190 nan 0.000 0.431 211 V N 6.684 126.600 119.914 0.002 0.000 2.459 211 V HA 0.608 4.728 4.120 0.000 0.000 0.295 211 V C -0.363 175.756 176.094 0.041 0.000 1.029 211 V CA -0.486 61.820 62.300 0.011 0.000 0.874 211 V CB 1.702 33.522 31.823 -0.005 0.000 0.985 211 V HN 0.708 nan 8.190 nan 0.000 0.438 212 I N 3.114 123.724 120.570 0.066 0.000 2.646 212 I HA 1.001 5.171 4.170 0.000 0.000 0.299 212 I C 0.707 176.911 176.117 0.145 0.000 1.036 212 I CA 0.174 61.539 61.300 0.108 0.000 1.074 212 I CB 1.885 39.951 38.000 0.110 0.000 1.258 212 I HN 0.887 nan 8.210 nan 0.000 0.430 213 G N 2.867 111.763 108.800 0.159 0.000 2.286 213 G HA2 -0.078 3.882 3.960 0.000 0.000 0.118 213 G HA3 -0.078 3.882 3.960 0.000 0.000 0.118 213 G C -1.339 173.492 174.900 -0.115 0.000 1.267 213 G CA -0.771 44.362 45.100 0.056 0.000 1.171 213 G HN 0.551 nan 8.290 nan 0.000 0.465 214 D N 3.002 123.339 120.400 -0.106 0.000 2.356 214 D HA 0.283 4.923 4.640 0.000 0.000 0.272 214 D C -0.444 175.814 176.300 -0.071 0.000 1.337 214 D CA -1.083 52.847 54.000 -0.115 0.000 0.970 214 D CB 1.419 42.171 40.800 -0.079 0.000 1.092 214 D HN 0.040 nan 8.370 nan 0.000 0.516 215 P HA -0.197 nan 4.420 nan 0.000 0.216 215 P C 1.183 178.468 177.300 -0.026 0.000 1.150 215 P CA 1.591 64.673 63.100 -0.029 0.000 0.837 215 P CB 0.263 31.952 31.700 -0.018 0.000 0.786 216 K N 0.323 120.700 120.400 -0.039 0.000 2.062 216 K HA 0.112 4.432 4.320 0.000 0.000 0.205 216 K C 2.342 178.921 176.600 -0.035 0.000 1.051 216 K CA 1.634 57.899 56.287 -0.037 0.000 0.941 216 K CB -1.590 30.887 32.500 -0.038 0.000 0.719 216 K HN 0.226 nan 8.250 nan 0.000 0.440 217 A N 0.276 123.074 122.820 -0.037 0.000 2.016 217 A HA 0.198 4.518 4.320 0.000 0.000 0.217 217 A C 2.362 179.930 177.584 -0.026 0.000 1.162 217 A CA 1.217 53.235 52.037 -0.031 0.000 0.662 217 A CB -0.229 18.752 19.000 -0.032 0.000 0.812 217 A HN 0.463 nan 8.150 nan 0.000 0.450 218 I N -0.693 119.863 120.570 -0.023 0.000 2.296 218 I HA -0.050 4.120 4.170 0.000 0.000 0.242 218 I C 2.750 178.857 176.117 -0.018 0.000 1.087 218 I CA 0.921 62.211 61.300 -0.016 0.000 1.393 218 I CB -0.676 37.320 38.000 -0.006 0.000 1.093 218 I HN 0.337 nan 8.210 nan 0.000 0.421 219 G N 0.536 109.325 108.800 -0.018 0.000 2.513 219 G HA2 -0.297 3.663 3.960 0.000 0.000 0.219 219 G HA3 -0.297 3.663 3.960 0.000 0.000 0.219 219 G C 1.654 176.531 174.900 -0.039 0.000 1.160 219 G CA 1.838 46.922 45.100 -0.028 0.000 0.767 219 G HN 0.292 nan 8.290 nan 0.000 0.571 220 T N 0.557 115.088 114.554 -0.038 0.000 2.684 220 T HA -0.116 4.234 4.350 0.000 0.000 0.267 220 T C 2.230 176.910 174.700 -0.033 0.000 1.036 220 T CA 1.729 63.806 62.100 -0.038 0.000 1.148 220 T CB -0.200 68.648 68.868 -0.034 0.000 0.863 220 T HN 0.400 nan 8.240 nan 0.000 0.436 221 E N 0.839 121.022 120.200 -0.029 0.000 2.153 221 E HA -0.036 4.314 4.350 0.000 0.000 0.194 221 E C 1.952 178.534 176.600 -0.030 0.000 0.988 221 E CA 0.907 57.290 56.400 -0.028 0.000 0.811 221 E CB -0.513 29.172 29.700 -0.025 0.000 0.746 221 E HN 0.547 nan 8.360 nan 0.000 0.466 222 I N 0.263 120.815 120.570 -0.030 0.000 2.163 222 I HA -0.257 3.913 4.170 0.000 0.000 0.240 222 I C 2.262 178.357 176.117 -0.037 0.000 1.081 222 I CA 1.781 63.062 61.300 -0.031 0.000 1.353 222 I CB -0.578 37.409 38.000 -0.022 0.000 1.054 222 I HN 0.249 nan 8.210 nan 0.000 0.407 223 T N -2.794 111.736 114.554 -0.041 0.000 3.035 223 T HA -0.016 4.334 4.350 0.000 0.000 0.268 223 T C 1.675 176.351 174.700 -0.040 0.000 1.109 223 T CA 1.182 63.255 62.100 -0.046 0.000 1.119 223 T CB -0.129 68.705 68.868 -0.057 0.000 0.900 223 T HN 0.175 nan 8.240 nan 0.000 0.503 224 S N 0.984 116.663 115.700 -0.036 0.000 2.483 224 S HA 0.169 4.639 4.470 0.000 0.000 0.221 224 S C 0.849 175.432 174.600 -0.029 0.000 1.030 224 S CA -0.494 57.688 58.200 -0.031 0.000 0.925 224 S CB -0.250 62.934 63.200 -0.028 0.000 0.795 224 S HN 0.493 nan 8.310 nan 0.000 0.511 225 N N 3.349 122.031 118.700 -0.031 0.000 2.431 225 N HA 0.097 4.837 4.740 0.000 0.000 0.265 225 N C -1.853 173.638 175.510 -0.033 0.000 1.184 225 N CA -1.513 51.518 53.050 -0.031 0.000 0.943 225 N CB 1.278 39.745 38.487 -0.034 0.000 1.080 225 N HN 0.056 nan 8.380 nan 0.000 0.477 226 P HA -0.132 nan 4.420 nan 0.000 0.219 226 P C 1.517 178.798 177.300 -0.031 0.000 1.146 226 P CA 1.038 64.124 63.100 -0.024 0.000 0.808 226 P CB 0.363 32.054 31.700 -0.014 0.000 0.779 227 I N -0.684 119.865 120.570 -0.035 0.000 2.361 227 I HA -0.131 4.039 4.170 0.000 0.000 0.251 227 I C 0.870 176.937 176.117 -0.083 0.000 1.133 227 I CA 0.766 62.037 61.300 -0.049 0.000 1.413 227 I CB -0.481 37.493 38.000 -0.042 0.000 1.073 227 I HN -0.251 nan 8.210 nan 0.000 0.424 228 V N 2.939 122.808 119.914 -0.074 0.000 2.364 228 V HA 0.037 4.157 4.120 0.000 0.000 0.252 228 V C 1.365 177.409 176.094 -0.084 0.000 1.075 228 V CA 0.395 62.644 62.300 -0.085 0.000 1.033 228 V CB 0.143 31.927 31.823 -0.064 0.000 1.116 228 V HN 0.294 nan 8.190 nan 0.000 0.488 229 R N 2.982 123.414 120.500 -0.113 0.000 2.173 229 R HA 0.090 4.430 4.340 0.000 0.000 0.208 229 R C 0.702 176.948 176.300 -0.089 0.000 1.035 229 R CA 0.519 56.561 56.100 -0.097 0.000 1.004 229 R CB 0.320 30.550 30.300 -0.117 0.000 0.917 229 R HN 0.723 nan 8.270 nan 0.000 0.462 230 K N 0.059 120.399 120.400 -0.100 0.000 2.477 230 K HA 0.427 4.747 4.320 0.000 0.000 0.255 230 K C -1.660 174.895 176.600 -0.076 0.000 0.952 230 K CA -0.910 55.316 56.287 -0.102 0.000 0.826 230 K CB 1.936 34.341 32.500 -0.158 0.000 1.331 230 K HN -0.125 nan 8.250 nan 0.000 0.437 231 L N 1.207 122.392 121.223 -0.065 0.000 2.438 231 L HA 0.508 4.848 4.340 0.000 0.000 0.270 231 L C -1.322 175.550 176.870 0.003 0.000 0.972 231 L CA -0.042 54.788 54.840 -0.018 0.000 0.831 231 L CB 2.280 44.333 42.059 -0.010 0.000 1.273 231 L HN 0.815 nan 8.230 nan 0.000 0.405 232 S N 4.158 119.887 115.700 0.049 0.000 2.525 232 S HA 0.772 5.242 4.470 0.000 0.000 0.290 232 S C -1.210 173.493 174.600 0.172 0.000 1.152 232 S CA -0.322 57.928 58.200 0.083 0.000 1.072 232 S CB 0.505 63.765 63.200 0.100 0.000 1.027 232 S HN 0.512 nan 8.310 nan 0.000 0.500 233 F N 2.836 122.787 119.950 0.002 0.000 2.588 233 F HA 0.517 5.044 4.527 0.000 0.000 0.318 233 F C -0.884 174.921 175.800 0.009 0.000 1.155 233 F CA -0.222 57.780 58.000 0.003 0.000 0.967 233 F CB 1.747 40.746 39.000 -0.002 0.000 1.236 233 F HN 0.447 nan 8.300 nan 0.000 0.455 234 T N 4.758 118.733 114.554 -0.963 0.000 2.809 234 T HA 0.830 5.180 4.350 0.000 0.000 0.284 234 T C -0.069 173.856 174.700 -1.292 0.000 0.992 234 T CA -0.221 61.361 62.100 -0.863 0.000 0.957 234 T CB 1.275 69.912 68.868 -0.386 0.000 0.942 234 T HN 1.104 nan 8.240 nan 0.000 0.439 235 G N 1.833 110.059 108.800 -0.957 0.000 2.435 235 G HA2 0.469 4.429 3.960 0.000 0.000 0.228 235 G HA3 0.469 4.429 3.960 0.000 0.000 0.228 235 G C -0.655 174.218 174.900 -0.045 0.000 1.198 235 G CA -0.391 44.435 45.100 -0.456 0.000 0.948 235 G HN 0.881 nan 8.290 nan 0.000 0.487 236 S N -0.244 115.540 115.700 0.141 0.000 2.585 236 S HA 0.418 4.888 4.470 0.000 0.000 0.273 236 S C 1.330 176.086 174.600 0.261 0.000 1.339 236 S CA 0.910 59.200 58.200 0.150 0.000 1.028 236 S CB 1.331 64.598 63.200 0.112 0.000 0.906 236 S HN 0.768 nan 8.310 nan 0.000 0.528 237 T N 2.309 116.986 114.554 0.205 0.000 2.746 237 T HA -0.098 4.252 4.350 0.000 0.000 0.267 237 T C 2.218 177.013 174.700 0.158 0.000 1.039 237 T CA 1.452 63.688 62.100 0.227 0.000 1.142 237 T CB -0.894 68.166 68.868 0.320 0.000 0.866 237 T HN 0.838 nan 8.240 nan 0.000 0.444 238 A N 1.166 124.066 122.820 0.134 0.000 1.892 238 A HA -0.121 4.199 4.320 0.000 0.000 0.218 238 A C 2.599 180.193 177.584 0.017 0.000 1.188 238 A CA 1.805 53.887 52.037 0.075 0.000 0.631 238 A CB -1.172 17.872 19.000 0.074 0.000 0.822 238 A HN 0.371 nan 8.150 nan 0.000 0.447 239 V N -0.324 119.598 119.914 0.013 0.000 2.515 239 V HA -0.118 4.002 4.120 0.000 0.000 0.250 239 V C 2.733 178.607 176.094 -0.366 0.000 1.058 239 V CA 1.750 63.968 62.300 -0.136 0.000 1.064 239 V CB -1.247 30.537 31.823 -0.065 0.000 0.675 239 V HN 0.645 nan 8.190 nan 0.000 0.461 240 G N -0.103 108.552 108.800 -0.243 0.000 2.404 240 G HA2 -0.212 3.748 3.960 0.000 0.000 0.215 240 G HA3 -0.212 3.748 3.960 0.000 0.000 0.215 240 G C 1.724 176.544 174.900 -0.134 0.000 1.174 240 G CA 0.608 45.560 45.100 -0.247 0.000 0.780 240 G HN 0.404 nan 8.290 nan 0.000 0.537 241 R N -0.150 120.322 120.500 -0.048 0.000 2.094 241 R HA -0.016 4.324 4.340 0.000 0.000 0.239 241 R C 2.646 178.905 176.300 -0.069 0.000 1.137 241 R CA 1.379 57.458 56.100 -0.035 0.000 0.943 241 R CB -0.580 29.718 30.300 -0.003 0.000 0.850 241 R HN 0.317 nan 8.270 nan 0.000 0.433 242 L N 0.434 121.604 121.223 -0.089 0.000 2.093 242 L HA -0.171 4.169 4.340 0.000 0.000 0.208 242 L C 2.405 179.201 176.870 -0.124 0.000 1.085 242 L CA 1.028 55.813 54.840 -0.092 0.000 0.755 242 L CB -0.394 41.615 42.059 -0.083 0.000 0.904 242 L HN 0.225 nan 8.230 nan 0.000 0.435 243 L N -0.862 120.241 121.223 -0.200 0.000 2.042 243 L HA -0.285 4.055 4.340 0.000 0.000 0.210 243 L C 2.665 179.453 176.870 -0.136 0.000 1.076 243 L CA 1.477 56.188 54.840 -0.215 0.000 0.749 243 L CB -0.337 41.489 42.059 -0.387 0.000 0.893 243 L HN 0.393 nan 8.230 nan 0.000 0.432 244 M N -0.465 119.068 119.600 -0.112 0.000 2.086 244 M HA -0.208 4.272 4.480 0.000 0.000 0.261 244 M C 2.377 178.644 176.300 -0.056 0.000 1.067 244 M CA 2.059 57.319 55.300 -0.067 0.000 1.116 244 M CB -0.104 32.468 32.600 -0.046 0.000 1.348 244 M HN 0.244 nan 8.290 nan 0.000 0.407 245 A N 0.003 122.789 122.820 -0.056 0.000 1.908 245 A HA -0.240 4.080 4.320 0.000 0.000 0.218 245 A C 1.902 179.458 177.584 -0.046 0.000 1.181 245 A CA 1.919 53.929 52.037 -0.045 0.000 0.627 245 A CB -0.856 18.119 19.000 -0.042 0.000 0.818 245 A HN 0.733 nan 8.150 nan 0.000 0.445 246 Q N -0.378 119.388 119.800 -0.058 0.000 2.369 246 Q HA -0.024 4.316 4.340 0.000 0.000 0.206 246 Q C 1.798 177.768 176.000 -0.050 0.000 0.963 246 Q CA 1.265 57.036 55.803 -0.054 0.000 0.894 246 Q CB -0.001 28.698 28.738 -0.065 0.000 0.965 246 Q HN 0.622 nan 8.270 nan 0.000 0.475 247 S N 0.073 115.742 115.700 -0.052 0.000 2.524 247 S HA 0.121 4.591 4.470 0.000 0.000 0.216 247 S C 1.804 176.382 174.600 -0.037 0.000 0.987 247 S CA 0.352 58.525 58.200 -0.046 0.000 0.909 247 S CB 0.261 63.431 63.200 -0.050 0.000 0.781 247 S HN 0.425 nan 8.310 nan 0.000 0.521 248 A N 3.027 125.826 122.820 -0.034 0.000 1.883 248 A HA -0.052 4.268 4.320 0.000 0.000 0.217 248 A C -0.127 177.443 177.584 -0.024 0.000 1.186 248 A CA 1.481 53.501 52.037 -0.028 0.000 0.624 248 A CB -1.933 17.051 19.000 -0.026 0.000 0.822 248 A HN 0.354 nan 8.150 nan 0.000 0.444 249 P HA -0.136 nan 4.420 nan 0.000 0.218 249 P C 1.195 178.484 177.300 -0.018 0.000 1.146 249 P CA 2.067 65.155 63.100 -0.020 0.000 0.820 249 P CB -0.181 31.506 31.700 -0.021 0.000 0.778 250 T N -6.345 108.196 114.554 -0.022 0.000 3.044 250 T HA 0.214 4.564 4.350 0.000 0.000 0.260 250 T C 0.481 175.169 174.700 -0.020 0.000 1.019 250 T CA -0.244 61.844 62.100 -0.020 0.000 0.921 250 T CB -0.608 68.246 68.868 -0.024 0.000 1.053 250 T HN -0.156 nan 8.240 nan 0.000 0.533 251 V N 1.091 120.992 119.914 -0.021 0.000 5.961 251 V HA -0.216 3.904 4.120 0.000 0.000 0.311 251 V C 0.246 176.325 176.094 -0.025 0.000 0.552 251 V CA 0.628 62.916 62.300 -0.020 0.000 0.641 251 V CB -2.262 29.553 31.823 -0.013 0.000 0.286 251 V HN 0.657 nan 8.190 nan 0.000 0.939 252 K N 0.667 121.048 120.400 -0.032 0.000 2.237 252 K HA 0.393 4.713 4.320 0.000 0.000 0.270 252 K C 0.363 176.937 176.600 -0.043 0.000 1.015 252 K CA -0.613 55.650 56.287 -0.041 0.000 0.949 252 K CB 0.998 33.471 32.500 -0.045 0.000 0.976 252 K HN 0.450 nan 8.250 nan 0.000 0.472 253 K N 2.755 123.122 120.400 -0.055 0.000 2.339 253 K HA 0.115 4.435 4.320 0.000 0.000 0.286 253 K C -1.054 175.500 176.600 -0.075 0.000 1.050 253 K CA -0.278 55.970 56.287 -0.064 0.000 0.956 253 K CB 0.346 32.797 32.500 -0.081 0.000 0.990 253 K HN 0.244 nan 8.250 nan 0.000 0.475 254 L N 3.556 124.745 121.223 -0.057 0.000 2.346 254 L HA 0.401 4.741 4.340 0.000 0.000 0.276 254 L C -0.540 176.309 176.870 -0.036 0.000 1.006 254 L CA -0.140 54.677 54.840 -0.039 0.000 0.817 254 L CB 2.209 44.258 42.059 -0.017 0.000 1.272 254 L HN 0.684 nan 8.230 nan 0.000 0.421 255 T N 4.643 119.183 114.554 -0.023 0.000 2.797 255 T HA 0.714 5.064 4.350 0.000 0.000 0.279 255 T C -0.521 174.223 174.700 0.073 0.000 0.991 255 T CA -0.365 61.740 62.100 0.007 0.000 0.979 255 T CB 0.810 69.669 68.868 -0.015 0.000 0.943 255 T HN 0.275 nan 8.240 nan 0.000 0.444 256 L N 3.635 124.910 121.223 0.086 0.000 2.415 256 L HA 0.419 4.759 4.340 0.000 0.000 0.268 256 L C -0.088 176.846 176.870 0.106 0.000 0.984 256 L CA -0.826 54.101 54.840 0.145 0.000 0.853 256 L CB 1.561 43.716 42.059 0.161 0.000 1.215 256 L HN 0.571 nan 8.230 nan 0.000 0.419 257 E N 5.548 125.795 120.200 0.077 0.000 2.115 257 E HA 0.514 4.864 4.350 0.000 0.000 0.282 257 E C -0.458 176.163 176.600 0.035 0.000 0.987 257 E CA -0.318 56.123 56.400 0.069 0.000 0.797 257 E CB 2.269 32.030 29.700 0.101 0.000 1.086 257 E HN 0.517 nan 8.360 nan 0.000 0.397 258 L N 0.848 122.117 121.223 0.076 0.000 2.876 258 L HA 0.547 4.887 4.340 0.000 0.000 0.227 258 L C 1.015 177.921 176.870 0.060 0.000 2.036 258 L CA -1.099 53.800 54.840 0.099 0.000 2.532 258 L CB -0.044 42.121 42.059 0.178 0.000 2.567 258 L HN 0.488 nan 8.230 nan 0.000 0.601 259 G N -1.033 107.781 108.800 0.023 0.000 2.476 259 G HA2 0.520 4.480 3.960 0.000 0.000 0.286 259 G HA3 0.520 4.480 3.960 0.000 0.000 0.286 259 G C -0.484 174.250 174.900 -0.276 0.000 1.177 259 G CA 0.221 45.215 45.100 -0.176 0.000 0.870 259 G HN 0.625 nan 8.290 nan 0.000 0.528 260 G N -1.083 107.528 108.800 -0.315 0.000 3.107 260 G HA2 0.472 4.432 3.960 0.000 0.000 0.232 260 G HA3 0.472 4.432 3.960 0.000 0.000 0.232 260 G C -0.557 174.202 174.900 -0.234 0.000 1.339 260 G CA -0.612 44.375 45.100 -0.189 0.000 1.033 260 G HN 0.711 nan 8.290 nan 0.000 0.567 261 N N -1.348 117.357 118.700 0.007 0.000 2.861 261 N HA 0.258 4.998 4.740 0.000 0.000 0.203 261 N C -0.196 175.382 175.510 0.114 0.000 1.339 261 N CA 0.005 53.093 53.050 0.064 0.000 1.208 261 N CB 0.200 38.813 38.487 0.212 0.000 1.579 261 N HN 0.730 nan 8.380 nan 0.000 0.583 262 A N 1.963 124.803 122.820 0.033 0.000 2.526 262 A HA 0.315 4.635 4.320 0.000 0.000 0.267 262 A C -2.145 175.415 177.584 -0.041 0.000 1.095 262 A CA -0.284 51.748 52.037 -0.008 0.000 0.775 262 A CB -0.315 18.720 19.000 0.058 0.000 1.036 262 A HN 0.299 nan 8.150 nan 0.000 0.510 263 P HA 0.280 nan 4.420 nan 0.000 0.285 263 P C -0.964 176.333 177.300 -0.005 0.000 1.259 263 P CA -0.126 62.954 63.100 -0.034 0.000 0.794 263 P CB 0.691 32.303 31.700 -0.145 0.000 0.940 264 F N 4.195 124.096 119.950 -0.082 0.000 2.307 264 F HA 0.423 4.950 4.527 0.000 0.000 0.369 264 F C -0.060 175.780 175.800 0.067 0.000 1.076 264 F CA -0.911 57.069 58.000 -0.035 0.000 1.149 264 F CB 0.206 39.022 39.000 -0.307 0.000 1.410 264 F HN 0.124 nan 8.300 nan 0.000 0.481 265 I N 5.346 125.931 120.570 0.024 0.000 2.441 265 I HA 0.256 4.426 4.170 0.000 0.000 0.287 265 I C -0.602 175.550 176.117 0.059 0.000 1.049 265 I CA -0.502 60.800 61.300 0.003 0.000 1.381 265 I CB 1.224 39.105 38.000 -0.197 0.000 1.409 265 I HN 0.135 nan 8.210 nan 0.000 0.523 266 V N 7.339 127.293 119.914 0.068 0.000 2.443 266 V HA 0.382 4.502 4.120 0.000 0.000 0.293 266 V C -0.419 175.721 176.094 0.077 0.000 1.021 266 V CA -0.492 61.843 62.300 0.059 0.000 0.848 266 V CB 1.317 33.017 31.823 -0.205 0.000 0.998 266 V HN 0.364 nan 8.190 nan 0.000 0.424 267 F N 2.363 122.457 119.950 0.240 0.000 2.403 267 F HA 0.401 4.928 4.527 0.000 0.000 0.326 267 F C 1.707 177.570 175.800 0.104 0.000 1.081 267 F CA -0.497 57.643 58.000 0.234 0.000 1.041 267 F CB 1.045 40.167 39.000 0.203 0.000 1.234 267 F HN 0.578 nan 8.300 nan 0.000 0.503 268 D N 0.536 121.081 120.400 0.242 0.000 2.248 268 D HA -0.277 4.363 4.640 0.000 0.000 0.189 268 D C 1.395 177.757 176.300 0.104 0.000 1.011 268 D CA 2.293 56.331 54.000 0.064 0.000 0.868 268 D CB -0.545 40.226 40.800 -0.049 0.000 0.931 268 D HN 0.623 nan 8.370 nan 0.000 0.449 269 D N 1.011 121.489 120.400 0.130 0.000 2.347 269 D HA 0.091 4.731 4.640 0.000 0.000 0.215 269 D C 0.642 177.028 176.300 0.143 0.000 0.976 269 D CA 0.357 54.423 54.000 0.109 0.000 0.884 269 D CB -0.598 40.251 40.800 0.082 0.000 0.915 269 D HN 0.223 nan 8.370 nan 0.000 0.526 270 A N 1.305 124.243 122.820 0.196 0.000 2.591 270 A HA -0.036 4.284 4.320 0.000 0.000 0.244 270 A C 0.337 178.039 177.584 0.197 0.000 1.031 270 A CA 0.146 52.327 52.037 0.241 0.000 0.767 270 A CB -0.128 19.035 19.000 0.272 0.000 0.942 270 A HN 0.122 nan 8.150 nan 0.000 0.514 271 D N 2.759 123.290 120.400 0.217 0.000 2.429 271 D HA 0.139 4.779 4.640 0.000 0.000 0.253 271 D C 0.860 177.257 176.300 0.161 0.000 1.294 271 D CA -0.115 53.989 54.000 0.172 0.000 1.063 271 D CB -0.152 40.752 40.800 0.174 0.000 1.096 271 D HN 0.359 nan 8.370 nan 0.000 0.516 272 L N 2.861 124.167 121.223 0.139 0.000 2.043 272 L HA -0.159 4.181 4.340 0.000 0.000 0.212 272 L C 2.130 179.067 176.870 0.112 0.000 1.075 272 L CA 1.395 56.325 54.840 0.151 0.000 0.752 272 L CB -0.577 41.579 42.059 0.162 0.000 0.891 272 L HN 0.406 nan 8.230 nan 0.000 0.432 273 D N -0.678 119.771 120.400 0.082 0.000 2.158 273 D HA -0.184 4.456 4.640 0.000 0.000 0.197 273 D C 2.033 178.367 176.300 0.055 0.000 0.995 273 D CA 1.487 55.518 54.000 0.051 0.000 0.846 273 D CB 0.305 41.133 40.800 0.047 0.000 0.941 273 D HN 0.367 nan 8.370 nan 0.000 0.456 274 A N 0.295 123.170 122.820 0.091 0.000 1.984 274 A HA 0.285 4.605 4.320 0.000 0.000 0.214 274 A C 2.307 179.919 177.584 0.047 0.000 1.173 274 A CA 1.257 53.370 52.037 0.126 0.000 0.673 274 A CB -0.436 18.689 19.000 0.208 0.000 0.830 274 A HN 0.215 nan 8.150 nan 0.000 0.453 275 A N -0.017 122.712 122.820 -0.152 0.000 1.903 275 A HA -0.163 4.157 4.320 0.000 0.000 0.219 275 A C 2.175 179.661 177.584 -0.163 0.000 1.191 275 A CA 2.218 53.829 52.037 -0.711 0.000 0.638 275 A CB -1.100 17.709 19.000 -0.317 0.000 0.823 275 A HN 0.460 nan 8.150 nan 0.000 0.451 276 V N -0.116 119.812 119.914 0.024 0.000 2.515 276 V HA -0.193 3.927 4.120 0.000 0.000 0.250 276 V C 3.073 179.154 176.094 -0.022 0.000 1.058 276 V CA 2.546 64.826 62.300 -0.034 0.000 1.064 276 V CB -1.404 30.341 31.823 -0.129 0.000 0.675 276 V HN 0.823 nan 8.190 nan 0.000 0.461 277 E N 0.580 120.793 120.200 0.022 0.000 2.085 277 E HA -0.233 4.117 4.350 0.000 0.000 0.194 277 E C 2.304 178.968 176.600 0.106 0.000 0.994 277 E CA 1.792 58.229 56.400 0.061 0.000 0.801 277 E CB -1.271 28.485 29.700 0.094 0.000 0.743 277 E HN 0.666 nan 8.360 nan 0.000 0.453 278 G N -0.097 108.807 108.800 0.173 0.000 2.408 278 G HA2 0.152 4.112 3.960 0.000 0.000 0.215 278 G HA3 0.152 4.112 3.960 0.000 0.000 0.215 278 G C 2.022 177.043 174.900 0.201 0.000 1.156 278 G CA 1.433 46.701 45.100 0.280 0.000 0.793 278 G HN 0.920 nan 8.290 nan 0.000 0.535 279 A N 0.825 123.688 122.820 0.073 0.000 2.024 279 A HA 0.028 4.348 4.320 0.000 0.000 0.220 279 A C 2.226 179.841 177.584 0.052 0.000 1.164 279 A CA 1.101 53.045 52.037 -0.156 0.000 0.643 279 A CB -0.227 18.631 19.000 -0.237 0.000 0.806 279 A HN 0.294 nan 8.150 nan 0.000 0.451 280 I N -0.558 120.062 120.570 0.083 0.000 2.500 280 I HA -0.114 4.056 4.170 0.000 0.000 0.252 280 I C 2.749 178.953 176.117 0.145 0.000 1.142 280 I CA 1.203 62.596 61.300 0.156 0.000 1.451 280 I CB -1.420 36.609 38.000 0.048 0.000 1.093 280 I HN 0.350 nan 8.210 nan 0.000 0.430 281 A N 0.480 123.358 122.820 0.098 0.000 1.970 281 A HA -0.107 4.213 4.320 0.000 0.000 0.216 281 A C 2.510 180.117 177.584 0.040 0.000 1.170 281 A CA 1.604 53.691 52.037 0.083 0.000 0.645 281 A CB -0.500 18.557 19.000 0.094 0.000 0.816 281 A HN 0.495 nan 8.150 nan 0.000 0.447 282 S N -0.346 115.342 115.700 -0.021 0.000 2.362 282 S HA -0.070 4.400 4.470 0.000 0.000 0.221 282 S C 1.899 176.428 174.600 -0.117 0.000 1.032 282 S CA 1.545 59.648 58.200 -0.161 0.000 0.973 282 S CB -0.199 62.779 63.200 -0.370 0.000 0.849 282 S HN 0.354 nan 8.310 nan 0.000 0.465 283 K N 0.125 120.462 120.400 -0.106 0.000 2.202 283 K HA 0.250 4.570 4.320 0.000 0.000 0.201 283 K C 0.818 177.205 176.600 -0.354 0.000 1.051 283 K CA 0.792 56.934 56.287 -0.242 0.000 0.977 283 K CB -0.314 32.054 32.500 -0.219 0.000 0.792 283 K HN 0.536 nan 8.250 nan 0.000 0.469 284 Y N 0.064 120.378 120.300 0.024 0.000 2.507 284 Y HA 0.324 4.874 4.550 0.000 0.000 0.254 284 Y C 0.112 176.027 175.900 0.026 0.000 1.171 284 Y CA -0.637 57.476 58.100 0.023 0.000 1.238 284 Y CB 0.410 38.872 38.460 0.005 0.000 1.148 284 Y HN -0.144 nan 8.280 nan 0.000 0.525 285 R N 1.367 121.936 120.500 0.116 0.000 2.490 285 R HA 0.143 4.483 4.340 0.000 0.000 0.280 285 R C 1.061 177.408 176.300 0.079 0.000 1.077 285 R CA 0.545 56.702 56.100 0.095 0.000 1.065 285 R CB 0.107 30.463 30.300 0.093 0.000 1.003 285 R HN 0.208 nan 8.270 nan 0.000 0.470 286 N N 1.868 120.598 118.700 0.050 0.000 2.804 286 N HA -0.329 4.411 4.740 0.000 0.000 0.220 286 N C -0.617 174.926 175.510 0.053 0.000 0.878 286 N CA 2.247 55.304 53.050 0.012 0.000 1.387 286 N CB -0.818 37.666 38.487 -0.006 0.000 0.940 286 N HN 0.833 nan 8.380 nan 0.000 0.592 287 N N -1.868 116.881 118.700 0.082 0.000 3.277 287 N HA -0.004 4.736 4.740 0.000 0.000 0.207 287 N C 0.346 175.900 175.510 0.074 0.000 1.023 287 N CA 1.770 54.880 53.050 0.100 0.000 1.073 287 N CB -1.354 37.186 38.487 0.088 0.000 1.058 287 N HN 1.104 nan 8.380 nan 0.000 0.522 288 G N 0.573 109.393 108.800 0.034 0.000 2.159 288 G HA2 -0.315 3.645 3.960 0.000 0.000 0.256 288 G HA3 -0.315 3.645 3.960 0.000 0.000 0.256 288 G C 0.055 174.983 174.900 0.045 0.000 0.977 288 G CA 0.484 45.564 45.100 -0.033 0.000 0.652 288 G HN 0.473 nan 8.290 nan 0.000 0.531 289 Q N 1.333 121.227 119.800 0.157 0.000 2.894 289 Q HA 0.360 4.700 4.340 0.000 0.000 0.358 289 Q C 0.116 176.270 176.000 0.257 0.000 1.155 289 Q CA 0.641 56.640 55.803 0.327 0.000 0.960 289 Q CB 0.215 29.190 28.738 0.395 0.000 1.428 289 Q HN 0.585 nan 8.270 nan 0.000 0.437 290 T N -3.633 111.032 114.554 0.185 0.000 2.900 290 T HA 0.175 4.525 4.350 0.000 0.000 0.295 290 T C 1.212 175.969 174.700 0.096 0.000 1.044 290 T CA -0.953 61.264 62.100 0.194 0.000 0.995 290 T CB 1.173 70.170 68.868 0.215 0.000 1.072 290 T HN 0.455 nan 8.240 nan 0.000 0.473 291 C N 1.180 120.579 119.300 0.165 0.000 2.411 291 C HA -0.051 4.409 4.460 0.000 0.000 0.279 291 C C 2.548 177.567 174.990 0.048 0.000 1.288 291 C CA 0.629 59.718 59.018 0.117 0.000 1.764 291 C CB -2.079 25.766 27.740 0.174 0.000 1.974 291 C HN 0.842 nan 8.230 nan 0.000 0.498 292 V N -1.282 118.711 119.914 0.131 0.000 3.217 292 V HA 0.106 4.226 4.120 0.000 0.000 0.264 292 V C 1.403 177.593 176.094 0.160 0.000 1.135 292 V CA -0.194 62.202 62.300 0.160 0.000 1.142 292 V CB -2.105 29.885 31.823 0.277 0.000 0.754 292 V HN 0.650 nan 8.190 nan 0.000 0.484 293 C N 2.520 121.840 119.300 0.033 0.000 2.563 293 C HA 0.203 4.663 4.460 0.000 0.000 0.411 293 C C 1.533 176.490 174.990 -0.056 0.000 1.386 293 C CA 0.370 59.368 59.018 -0.033 0.000 1.703 293 C CB -0.720 26.942 27.740 -0.129 0.000 2.596 293 C HN 0.643 nan 8.230 nan 0.000 0.605 294 T N 3.775 118.282 114.554 -0.078 0.000 2.908 294 T HA -0.026 4.324 4.350 0.000 0.000 0.325 294 T C 0.939 175.505 174.700 -0.223 0.000 1.092 294 T CA 0.648 62.647 62.100 -0.168 0.000 1.125 294 T CB 0.267 68.841 68.868 -0.490 0.000 1.016 294 T HN 0.866 nan 8.240 nan 0.000 0.550 295 N N 0.334 118.919 118.700 -0.192 0.000 2.149 295 N HA 0.129 4.869 4.740 0.000 0.000 0.229 295 N C -0.307 175.182 175.510 -0.036 0.000 1.284 295 N CA -0.127 52.862 53.050 -0.102 0.000 0.864 295 N CB 0.763 39.209 38.487 -0.069 0.000 1.169 295 N HN 0.375 nan 8.380 nan 0.000 0.478 296 R N 0.451 120.882 120.500 -0.115 0.000 2.625 296 R HA 0.257 4.597 4.340 0.000 0.000 0.286 296 R C -1.452 174.762 176.300 -0.143 0.000 1.406 296 R CA -0.557 55.466 56.100 -0.129 0.000 1.052 296 R CB 0.500 30.590 30.300 -0.350 0.000 1.203 296 R HN -0.007 nan 8.270 nan 0.000 0.502 297 F N 3.011 123.011 119.950 0.083 0.000 2.502 297 F HA 0.190 4.717 4.527 0.000 0.000 0.371 297 F C 0.206 176.039 175.800 0.056 0.000 1.083 297 F CA 0.340 58.422 58.000 0.136 0.000 1.174 297 F CB 0.273 39.351 39.000 0.130 0.000 1.096 297 F HN 0.279 nan 8.300 nan 0.000 0.545 298 F N 3.183 123.306 119.950 0.288 0.000 2.411 298 F HA 0.603 5.130 4.527 0.000 0.000 0.352 298 F C -0.388 175.601 175.800 0.315 0.000 1.123 298 F CA -0.890 57.273 58.000 0.271 0.000 1.044 298 F CB 1.383 40.378 39.000 -0.009 0.000 1.135 298 F HN -0.015 nan 8.300 nan 0.000 0.461 299 V N 3.106 123.334 119.914 0.523 0.000 2.709 299 V HA 0.248 4.368 4.120 0.000 0.000 0.308 299 V C -0.149 175.968 176.094 0.038 0.000 1.062 299 V CA -1.014 61.434 62.300 0.245 0.000 0.901 299 V CB 1.629 33.422 31.823 -0.050 0.000 1.003 299 V HN 0.616 nan 8.190 nan 0.000 0.425 300 H N 2.310 121.132 119.070 -0.413 0.000 2.871 300 H HA 0.096 4.652 4.556 0.000 0.000 0.355 300 H C 1.154 176.355 175.328 -0.211 0.000 1.092 300 H CA 0.890 56.480 56.048 -0.765 0.000 1.420 300 H CB 1.171 30.629 29.762 -0.506 0.000 1.400 300 H HN 0.830 nan 8.280 nan 0.000 0.604 301 E N 3.683 123.845 120.200 -0.064 0.000 2.086 301 E HA -0.251 4.099 4.350 0.000 0.000 0.200 301 E C 2.273 178.975 176.600 0.170 0.000 1.012 301 E CA 1.427 57.872 56.400 0.074 0.000 0.812 301 E CB 0.117 29.818 29.700 0.003 0.000 0.743 301 E HN 0.597 nan 8.360 nan 0.000 0.453 302 R N 0.163 120.785 120.500 0.203 0.000 2.096 302 R HA -0.154 4.186 4.340 0.000 0.000 0.240 302 R C 2.360 178.734 176.300 0.123 0.000 1.139 302 R CA 1.910 58.078 56.100 0.114 0.000 0.952 302 R CB -0.493 29.830 30.300 0.038 0.000 0.854 302 R HN 0.263 nan 8.270 nan 0.000 0.436 303 V N -3.026 116.972 119.914 0.140 0.000 3.596 303 V HA 0.026 4.146 4.120 0.000 0.000 0.289 303 V C 1.602 177.818 176.094 0.204 0.000 1.336 303 V CA -0.049 62.339 62.300 0.146 0.000 1.137 303 V CB -0.967 30.927 31.823 0.118 0.000 0.966 303 V HN 0.138 nan 8.190 nan 0.000 0.428 304 Y N 3.392 123.752 120.300 0.100 0.000 2.014 304 Y HA -0.332 4.218 4.550 0.000 0.000 0.270 304 Y C 2.252 178.226 175.900 0.122 0.000 1.145 304 Y CA 2.824 60.995 58.100 0.118 0.000 1.106 304 Y CB -0.291 38.208 38.460 0.065 0.000 0.968 304 Y HN 0.423 nan 8.280 nan 0.000 0.484 305 D N 0.042 120.647 120.400 0.342 0.000 2.123 305 D HA -0.219 4.421 4.640 0.000 0.000 0.196 305 D C 2.183 178.542 176.300 0.097 0.000 0.992 305 D CA 1.406 55.525 54.000 0.198 0.000 0.833 305 D CB -0.614 40.271 40.800 0.142 0.000 0.954 305 D HN 0.459 nan 8.370 nan 0.000 0.455 306 A N 0.476 123.361 122.820 0.109 0.000 1.873 306 A HA -0.197 4.123 4.320 0.000 0.000 0.218 306 A C 2.061 179.685 177.584 0.066 0.000 1.193 306 A CA 1.376 53.461 52.037 0.079 0.000 0.629 306 A CB -1.147 17.912 19.000 0.098 0.000 0.826 306 A HN 0.303 nan 8.150 nan 0.000 0.447 307 F N 0.837 120.758 119.950 -0.048 0.000 2.113 307 F HA 0.001 4.528 4.527 0.000 0.000 0.297 307 F C 2.558 178.259 175.800 -0.165 0.000 1.103 307 F CA 1.047 58.985 58.000 -0.104 0.000 1.248 307 F CB -0.632 38.300 39.000 -0.112 0.000 0.999 307 F HN 0.266 nan 8.300 nan 0.000 0.475 308 A N 0.360 123.048 122.820 -0.219 0.000 1.884 308 A HA -0.266 4.054 4.320 0.000 0.000 0.219 308 A C 2.110 179.524 177.584 -0.283 0.000 1.197 308 A CA 2.280 54.138 52.037 -0.300 0.000 0.637 308 A CB -1.244 17.681 19.000 -0.126 0.000 0.827 308 A HN 0.481 nan 8.150 nan 0.000 0.450 309 D N -0.318 119.982 120.400 -0.166 0.000 2.078 309 D HA -0.135 4.505 4.640 0.000 0.000 0.193 309 D C 1.907 178.098 176.300 -0.182 0.000 0.990 309 D CA 1.297 55.216 54.000 -0.135 0.000 0.827 309 D CB -0.330 40.429 40.800 -0.068 0.000 0.975 309 D HN 0.266 nan 8.370 nan 0.000 0.451 310 K N 0.433 120.720 120.400 -0.188 0.000 2.127 310 K HA -0.188 4.132 4.320 0.000 0.000 0.208 310 K C 2.137 178.565 176.600 -0.287 0.000 1.047 310 K CA 0.491 56.659 56.287 -0.198 0.000 0.927 310 K CB -0.578 31.827 32.500 -0.158 0.000 0.716 310 K HN 0.155 nan 8.250 nan 0.000 0.450 311 L N 0.704 121.653 121.223 -0.456 0.000 2.056 311 L HA -0.052 4.288 4.340 0.000 0.000 0.207 311 L C 2.209 178.870 176.870 -0.348 0.000 1.078 311 L CA 1.821 56.355 54.840 -0.509 0.000 0.749 311 L CB -0.704 40.866 42.059 -0.815 0.000 0.901 311 L HN 0.116 nan 8.230 nan 0.000 0.433 312 A N -0.241 122.407 122.820 -0.286 0.000 1.877 312 A HA -0.126 4.194 4.320 0.000 0.000 0.216 312 A C 2.491 179.967 177.584 -0.180 0.000 1.186 312 A CA 1.933 53.844 52.037 -0.210 0.000 0.620 312 A CB -1.275 17.630 19.000 -0.158 0.000 0.822 312 A HN 0.580 nan 8.150 nan 0.000 0.443 313 A N 0.041 122.764 122.820 -0.162 0.000 1.869 313 A HA -0.037 4.283 4.320 0.000 0.000 0.218 313 A C 2.569 180.068 177.584 -0.142 0.000 1.203 313 A CA 2.980 54.939 52.037 -0.130 0.000 0.638 313 A CB -1.299 17.633 19.000 -0.112 0.000 0.831 313 A HN 1.234 nan 8.150 nan 0.000 0.450 314 A N -0.998 121.721 122.820 -0.169 0.000 1.877 314 A HA 0.015 4.335 4.320 0.000 0.000 0.216 314 A C 2.263 179.718 177.584 -0.216 0.000 1.186 314 A CA 1.866 53.801 52.037 -0.170 0.000 0.620 314 A CB -1.064 17.832 19.000 -0.174 0.000 0.822 314 A HN 0.485 nan 8.150 nan 0.000 0.443 315 V N 1.178 120.923 119.914 -0.282 0.000 2.287 315 V HA -0.299 3.821 4.120 0.000 0.000 0.248 315 V C 3.056 178.999 176.094 -0.251 0.000 1.053 315 V CA 2.567 64.645 62.300 -0.370 0.000 1.027 315 V CB -1.124 30.463 31.823 -0.394 0.000 0.646 315 V HN 0.836 nan 8.190 nan 0.000 0.447 316 S N 1.054 116.647 115.700 -0.178 0.000 2.370 316 S HA -0.185 4.285 4.470 0.000 0.000 0.226 316 S C 1.750 176.285 174.600 -0.108 0.000 1.033 316 S CA 1.568 59.694 58.200 -0.123 0.000 1.011 316 S CB -0.732 62.410 63.200 -0.097 0.000 0.852 316 S HN 0.662 nan 8.310 nan 0.000 0.457 317 K N 1.276 121.609 120.400 -0.110 0.000 3.322 317 K HA 0.602 4.922 4.320 0.000 0.000 0.291 317 K C -0.044 176.500 176.600 -0.094 0.000 1.131 317 K CA 0.125 56.359 56.287 -0.088 0.000 1.185 317 K CB -1.309 31.145 32.500 -0.077 0.000 1.338 317 K HN 0.616 nan 8.250 nan 0.000 0.380 318 L N -0.233 120.926 121.223 -0.108 0.000 2.410 318 L HA 0.463 4.803 4.340 0.000 0.000 0.270 318 L C -0.317 176.503 176.870 -0.083 0.000 0.983 318 L CA -1.052 53.728 54.840 -0.100 0.000 0.822 318 L CB 2.729 44.699 42.059 -0.149 0.000 1.285 318 L HN 0.150 nan 8.230 nan 0.000 0.409 319 K N 2.035 122.399 120.400 -0.060 0.000 2.293 319 K HA 0.524 4.844 4.320 0.000 0.000 0.267 319 K C -1.094 175.468 176.600 -0.063 0.000 1.010 319 K CA -0.552 55.700 56.287 -0.059 0.000 0.875 319 K CB 1.619 34.095 32.500 -0.040 0.000 1.106 319 K HN 0.317 nan 8.250 nan 0.000 0.450 320 V N 3.764 123.602 119.914 -0.126 0.000 2.368 320 V HA 0.572 4.692 4.120 0.000 0.000 0.266 320 V C 0.617 176.633 176.094 -0.130 0.000 1.045 320 V CA -0.258 61.953 62.300 -0.150 0.000 0.899 320 V CB 0.593 32.168 31.823 -0.412 0.000 1.006 320 V HN 0.975 nan 8.190 nan 0.000 0.470 321 G N 3.089 111.895 108.800 0.011 0.000 2.619 321 G HA2 0.691 4.651 3.960 0.000 0.000 0.305 321 G HA3 0.691 4.651 3.960 0.000 0.000 0.305 321 G C -0.366 174.649 174.900 0.191 0.000 1.330 321 G CA -0.312 44.767 45.100 -0.035 0.000 0.789 321 G HN 0.824 nan 8.290 nan 0.000 0.487 322 R N -1.227 119.340 120.500 0.112 0.000 2.944 322 R HA 0.539 4.879 4.340 0.000 0.000 0.279 322 R C 1.704 178.077 176.300 0.123 0.000 1.048 322 R CA 1.345 57.562 56.100 0.195 0.000 1.196 322 R CB -0.869 29.486 30.300 0.091 0.000 1.134 322 R HN 1.904 nan 8.270 nan 0.000 0.525 323 G N -0.935 107.920 108.800 0.091 0.000 2.417 323 G HA2 -0.176 3.784 3.960 0.000 0.000 0.212 323 G HA3 -0.176 3.784 3.960 0.000 0.000 0.212 323 G C 1.747 176.666 174.900 0.031 0.000 1.187 323 G CA 1.512 46.642 45.100 0.050 0.000 0.804 323 G HN 1.044 nan 8.290 nan 0.000 0.534 324 T N -0.505 114.064 114.554 0.026 0.000 2.918 324 T HA -0.056 4.294 4.350 0.000 0.000 0.271 324 T C 1.011 175.717 174.700 0.010 0.000 1.104 324 T CA 1.118 63.227 62.100 0.014 0.000 1.114 324 T CB -0.118 68.756 68.868 0.010 0.000 0.855 324 T HN 0.416 nan 8.240 nan 0.000 0.518 325 E N 1.060 121.269 120.200 0.014 0.000 2.392 325 E HA 0.327 4.677 4.350 0.000 0.000 0.259 325 E C -0.652 175.951 176.600 0.004 0.000 1.108 325 E CA -0.344 56.060 56.400 0.005 0.000 0.916 325 E CB 0.652 30.354 29.700 0.003 0.000 0.989 325 E HN 0.290 nan 8.360 nan 0.000 0.432 326 S N 0.913 116.612 115.700 -0.001 0.000 2.462 326 S HA 0.519 4.989 4.470 0.000 0.000 0.294 326 S C 0.563 175.161 174.600 -0.004 0.000 1.144 326 S CA -0.166 58.033 58.200 -0.002 0.000 1.088 326 S CB 1.546 64.744 63.200 -0.004 0.000 1.009 326 S HN 0.863 nan 8.310 nan 0.000 0.484 327 G N 1.601 110.399 108.800 -0.003 0.000 2.179 327 G HA2 -0.201 3.759 3.960 0.000 0.000 0.260 327 G HA3 -0.201 3.759 3.960 0.000 0.000 0.260 327 G C 0.241 175.137 174.900 -0.007 0.000 0.977 327 G CA -0.192 44.904 45.100 -0.006 0.000 0.641 327 G HN 1.252 nan 8.290 nan 0.000 0.533 328 A N 1.234 124.054 122.820 -0.000 0.000 2.410 328 A HA 0.636 4.956 4.320 0.000 0.000 0.292 328 A C 1.173 178.765 177.584 0.013 0.000 1.232 328 A CA 1.295 53.336 52.037 0.006 0.000 0.893 328 A CB -0.068 18.944 19.000 0.020 0.000 1.131 328 A HN 1.490 nan 8.150 nan 0.000 0.530 329 T N 0.074 114.632 114.554 0.007 0.000 3.308 329 T HA 0.510 4.860 4.350 0.000 0.000 0.270 329 T C -0.287 174.428 174.700 0.024 0.000 0.992 329 T CA -0.272 61.835 62.100 0.012 0.000 0.931 329 T CB -0.418 68.450 68.868 -0.000 0.000 1.142 329 T HN 0.558 nan 8.240 nan 0.000 0.525 330 L N 1.021 122.268 121.223 0.039 0.000 2.932 330 L HA 0.490 4.830 4.340 0.000 0.000 0.225 330 L C 0.401 177.325 176.870 0.090 0.000 1.056 330 L CA -0.271 54.605 54.840 0.060 0.000 1.130 330 L CB 0.352 42.434 42.059 0.038 0.000 1.367 330 L HN 0.437 nan 8.230 nan 0.000 0.627 331 G N 1.964 110.809 108.800 0.074 0.000 2.485 331 G HA2 0.578 4.538 3.960 0.000 0.000 0.260 331 G HA3 0.578 4.538 3.960 0.000 0.000 0.260 331 G C -2.656 172.194 174.900 -0.084 0.000 1.459 331 G CA -0.635 44.504 45.100 0.065 0.000 1.060 331 G HN 0.309 nan 8.290 nan 0.000 0.546 332 P HA 0.396 nan 4.420 nan 0.000 0.301 332 P C -0.504 176.594 177.300 -0.337 0.000 1.338 332 P CA -0.781 61.875 63.100 -0.739 0.000 0.834 332 P CB 1.460 32.381 31.700 -1.300 0.000 0.967 333 L N 3.698 124.789 121.223 -0.220 0.000 2.516 333 L HA -0.056 4.285 4.340 0.000 0.000 0.288 333 L C 2.240 178.991 176.870 -0.199 0.000 1.246 333 L CA 0.494 55.255 54.840 -0.133 0.000 0.844 333 L CB -0.262 41.756 42.059 -0.070 0.000 1.106 333 L HN 0.355 nan 8.230 nan 0.000 0.509 334 I N 1.417 121.819 120.570 -0.280 0.000 2.454 334 I HA -0.187 3.983 4.170 0.000 0.000 0.254 334 I C 0.596 176.522 176.117 -0.317 0.000 1.156 334 I CA 1.199 62.243 61.300 -0.428 0.000 1.433 334 I CB -0.308 37.076 38.000 -1.026 0.000 1.082 334 I HN 1.018 nan 8.210 nan 0.000 0.432 335 N N -3.342 115.212 118.700 -0.243 0.000 3.356 335 N HA 0.063 4.803 4.740 0.000 0.000 0.246 335 N C 0.324 175.781 175.510 -0.087 0.000 1.480 335 N CA -0.564 52.403 53.050 -0.138 0.000 0.877 335 N CB 0.137 38.536 38.487 -0.147 0.000 1.431 335 N HN -0.231 nan 8.380 nan 0.000 0.500 336 E N 0.072 120.244 120.200 -0.046 0.000 2.038 336 E HA -0.173 4.177 4.350 0.000 0.000 0.195 336 E C 1.736 178.320 176.600 -0.028 0.000 1.000 336 E CA 1.865 58.252 56.400 -0.022 0.000 0.803 336 E CB -0.573 29.119 29.700 -0.013 0.000 0.750 336 E HN 0.649 nan 8.360 nan 0.000 0.448 337 A N 1.409 124.206 122.820 -0.039 0.000 1.892 337 A HA -0.216 4.104 4.320 0.000 0.000 0.218 337 A C 2.462 180.017 177.584 -0.047 0.000 1.188 337 A CA 2.704 54.720 52.037 -0.034 0.000 0.631 337 A CB -0.877 18.102 19.000 -0.034 0.000 0.822 337 A HN 0.358 nan 8.150 nan 0.000 0.447 338 A N -0.700 122.075 122.820 -0.074 0.000 1.986 338 A HA -0.049 4.271 4.320 0.000 0.000 0.220 338 A C 2.193 179.723 177.584 -0.090 0.000 1.171 338 A CA 2.087 54.078 52.037 -0.077 0.000 0.640 338 A CB -0.858 18.072 19.000 -0.117 0.000 0.811 338 A HN 0.536 nan 8.150 nan 0.000 0.451 339 V N -0.293 119.577 119.914 -0.074 0.000 2.346 339 V HA -0.104 4.016 4.120 0.000 0.000 0.244 339 V C 3.046 179.079 176.094 -0.102 0.000 1.037 339 V CA 2.258 64.507 62.300 -0.085 0.000 1.029 339 V CB -1.304 30.550 31.823 0.052 0.000 0.663 339 V HN 0.650 nan 8.190 nan 0.000 0.454 340 K N 0.567 120.947 120.400 -0.034 0.000 2.211 340 K HA -0.231 4.089 4.320 0.000 0.000 0.204 340 K C 2.038 178.613 176.600 -0.041 0.000 1.047 340 K CA 2.019 58.300 56.287 -0.009 0.000 0.935 340 K CB -0.605 31.902 32.500 0.012 0.000 0.728 340 K HN 0.457 nan 8.250 nan 0.000 0.452 341 K N 0.165 120.513 120.400 -0.088 0.000 2.057 341 K HA -0.013 4.307 4.320 0.000 0.000 0.206 341 K C 2.033 178.482 176.600 -0.252 0.000 1.050 341 K CA 1.342 57.548 56.287 -0.135 0.000 0.935 341 K CB -0.363 32.056 32.500 -0.135 0.000 0.715 341 K HN 0.198 nan 8.250 nan 0.000 0.439 342 V N 0.970 120.697 119.914 -0.312 0.000 2.295 342 V HA -0.244 3.876 4.120 0.000 0.000 0.246 342 V C 1.951 177.935 176.094 -0.184 0.000 1.049 342 V CA 2.032 64.105 62.300 -0.378 0.000 1.024 342 V CB -0.485 30.891 31.823 -0.745 0.000 0.648 342 V HN 0.375 nan 8.190 nan 0.000 0.447 343 E N 0.081 120.206 120.200 -0.125 0.000 2.085 343 E HA -0.235 4.115 4.350 0.000 0.000 0.194 343 E C 2.434 179.096 176.600 0.104 0.000 0.994 343 E CA 1.584 58.040 56.400 0.094 0.000 0.801 343 E CB -0.308 29.483 29.700 0.152 0.000 0.743 343 E HN 0.498 nan 8.360 nan 0.000 0.453 344 S N -0.380 115.371 115.700 0.085 0.000 2.370 344 S HA -0.226 4.244 4.470 0.000 0.000 0.226 344 S C 1.780 176.508 174.600 0.213 0.000 1.033 344 S CA 1.284 59.566 58.200 0.136 0.000 1.011 344 S CB -0.256 63.030 63.200 0.142 0.000 0.852 344 S HN 0.410 nan 8.310 nan 0.000 0.457 345 H N -0.196 118.892 119.070 0.030 0.000 2.395 345 H HA 0.036 4.592 4.556 0.000 0.000 0.299 345 H C 2.134 177.488 175.328 0.043 0.000 1.070 345 H CA 1.512 57.583 56.048 0.037 0.000 1.356 345 H CB -0.027 29.753 29.762 0.030 0.000 1.401 345 H HN 0.412 nan 8.280 nan 0.000 0.524 346 I N 0.708 121.387 120.570 0.181 0.000 2.163 346 I HA -0.198 3.972 4.170 0.000 0.000 0.240 346 I C 2.924 179.100 176.117 0.098 0.000 1.081 346 I CA 0.853 62.232 61.300 0.132 0.000 1.353 346 I CB -0.349 37.748 38.000 0.161 0.000 1.054 346 I HN 0.177 nan 8.210 nan 0.000 0.407 347 A N 0.814 123.695 122.820 0.103 0.000 1.892 347 A HA -0.342 3.978 4.320 0.000 0.000 0.218 347 A C 2.005 179.622 177.584 0.056 0.000 1.188 347 A CA 2.611 54.694 52.037 0.077 0.000 0.631 347 A CB -0.924 18.124 19.000 0.079 0.000 0.822 347 A HN 0.533 nan 8.150 nan 0.000 0.447 348 D N -0.604 119.830 120.400 0.057 0.000 2.117 348 D HA -0.001 4.639 4.640 0.000 0.000 0.198 348 D C 2.010 178.318 176.300 0.014 0.000 0.982 348 D CA 1.704 55.723 54.000 0.031 0.000 0.828 348 D CB -0.224 40.588 40.800 0.019 0.000 0.967 348 D HN 0.343 nan 8.370 nan 0.000 0.464 349 A N -0.008 122.819 122.820 0.012 0.000 1.877 349 A HA -0.107 4.213 4.320 0.000 0.000 0.216 349 A C 2.113 179.695 177.584 -0.004 0.000 1.186 349 A CA 1.265 53.297 52.037 -0.008 0.000 0.620 349 A CB -0.883 18.112 19.000 -0.008 0.000 0.822 349 A HN 0.320 nan 8.150 nan 0.000 0.443 350 L N -0.222 121.009 121.223 0.014 0.000 2.012 350 L HA -0.157 4.183 4.340 0.000 0.000 0.210 350 L C 2.950 179.826 176.870 0.010 0.000 1.073 350 L CA 1.948 56.796 54.840 0.014 0.000 0.748 350 L CB -1.297 40.778 42.059 0.026 0.000 0.891 350 L HN 0.412 nan 8.230 nan 0.000 0.431 351 A N -1.391 121.438 122.820 0.015 0.000 2.186 351 A HA -0.198 4.122 4.320 0.000 0.000 0.219 351 A C 2.147 179.735 177.584 0.007 0.000 1.159 351 A CA 1.487 53.532 52.037 0.013 0.000 0.680 351 A CB -0.446 18.565 19.000 0.019 0.000 0.787 351 A HN 0.388 nan 8.150 nan 0.000 0.467 352 K N -1.648 118.753 120.400 0.001 0.000 2.373 352 K HA 0.336 4.656 4.320 0.000 0.000 0.202 352 K C 0.580 177.174 176.600 -0.010 0.000 1.025 352 K CA 0.542 56.827 56.287 -0.004 0.000 1.115 352 K CB 0.445 32.941 32.500 -0.006 0.000 0.858 352 K HN 0.577 nan 8.250 nan 0.000 0.525 353 G N 0.736 109.530 108.800 -0.010 0.000 2.270 353 G HA2 -0.132 3.828 3.960 0.000 0.000 0.224 353 G HA3 -0.132 3.828 3.960 0.000 0.000 0.224 353 G C -0.380 174.506 174.900 -0.023 0.000 1.079 353 G CA -0.108 44.984 45.100 -0.014 0.000 0.807 353 G HN 0.333 nan 8.290 nan 0.000 0.492 354 A N 0.079 122.885 122.820 -0.023 0.000 2.335 354 A HA 0.881 5.201 4.320 0.000 0.000 0.304 354 A C 0.511 178.088 177.584 -0.013 0.000 1.118 354 A CA 0.319 52.338 52.037 -0.030 0.000 0.757 354 A CB 1.237 20.202 19.000 -0.057 0.000 1.188 354 A HN 1.099 nan 8.150 nan 0.000 0.460 355 S N 0.713 116.409 115.700 -0.006 0.000 2.576 355 S HA 0.336 4.806 4.470 0.000 0.000 0.272 355 S C 0.103 174.708 174.600 0.009 0.000 1.352 355 S CA -0.085 58.117 58.200 0.003 0.000 1.021 355 S CB 0.530 63.733 63.200 0.006 0.000 0.887 355 S HN 0.767 nan 8.310 nan 0.000 0.542 356 L N 2.078 123.308 121.223 0.012 0.000 2.360 356 L HA 0.584 4.924 4.340 0.000 0.000 0.271 356 L C 0.378 177.252 176.870 0.006 0.000 1.057 356 L CA 0.110 54.960 54.840 0.017 0.000 0.803 356 L CB 1.231 43.304 42.059 0.023 0.000 1.207 356 L HN 0.868 nan 8.230 nan 0.000 0.445 357 M N 0.948 120.549 119.600 0.001 0.000 2.180 357 M HA 0.264 4.744 4.480 0.000 0.000 0.289 357 M C -0.458 175.827 176.300 -0.025 0.000 1.089 357 M CA 0.216 55.507 55.300 -0.016 0.000 1.120 357 M CB 0.848 33.430 32.600 -0.031 0.000 1.864 357 M HN 0.653 nan 8.290 nan 0.000 0.636 358 T N -0.300 114.246 114.554 -0.013 0.000 2.885 358 T HA 0.574 4.924 4.350 0.000 0.000 0.322 358 T C -0.020 174.688 174.700 0.014 0.000 1.387 358 T CA 0.376 62.467 62.100 -0.016 0.000 1.041 358 T CB 1.380 70.221 68.868 -0.045 0.000 1.287 358 T HN 0.720 nan 8.240 nan 0.000 0.491 359 G N 1.779 110.582 108.800 0.006 0.000 2.582 359 G HA2 0.183 4.143 3.960 0.000 0.000 0.300 359 G HA3 0.183 4.143 3.960 0.000 0.000 0.300 359 G C 0.910 175.825 174.900 0.024 0.000 1.300 359 G CA 1.196 46.303 45.100 0.012 0.000 0.959 359 G HN 2.331 nan 8.290 nan 0.000 0.548 360 G N -3.804 105.027 108.800 0.051 0.000 2.175 360 G HA2 0.567 4.527 3.960 0.000 0.000 0.182 360 G HA3 0.567 4.527 3.960 0.000 0.000 0.182 360 G C 0.306 175.218 174.900 0.020 0.000 1.003 360 G CA 1.402 46.573 45.100 0.117 0.000 0.666 360 G HN 2.591 nan 8.290 nan 0.000 0.506 361 K N 0.366 120.590 120.400 -0.294 0.000 2.546 361 K HA 0.836 5.156 4.320 0.000 0.000 0.264 361 K C 0.235 176.349 176.600 -0.810 0.000 0.937 361 K CA -0.321 55.714 56.287 -0.421 0.000 0.833 361 K CB 0.761 33.157 32.500 -0.175 0.000 1.378 361 K HN 0.741 nan 8.250 nan 0.000 0.432 362 R N 1.819 121.889 120.500 -0.717 0.000 2.619 362 R HA 0.042 4.382 4.340 0.000 0.000 0.268 362 R C 0.362 176.544 176.300 -0.196 0.000 0.990 362 R CA -0.309 55.516 56.100 -0.458 0.000 1.092 362 R CB 0.121 30.394 30.300 -0.044 0.000 0.935 362 R HN 0.713 nan 8.270 nan 0.000 0.415 363 H N 0.945 119.938 119.070 -0.128 0.000 2.562 363 H HA 0.097 4.653 4.556 0.000 0.000 0.352 363 H C 0.824 176.140 175.328 -0.020 0.000 1.125 363 H CA 0.250 56.266 56.048 -0.054 0.000 1.379 363 H CB 1.478 31.256 29.762 0.026 0.000 1.464 363 H HN 0.768 nan 8.280 nan 0.000 0.563 364 A N 4.439 127.010 122.820 -0.415 0.000 2.139 364 A HA -0.172 4.148 4.320 0.000 0.000 0.221 364 A C 2.593 180.120 177.584 -0.094 0.000 1.159 364 A CA 1.685 53.576 52.037 -0.244 0.000 0.662 364 A CB -1.033 17.773 19.000 -0.324 0.000 0.796 364 A HN 0.637 nan 8.150 nan 0.000 0.463 365 L N -2.101 119.110 121.223 -0.021 0.000 2.478 365 L HA 0.424 4.764 4.340 0.000 0.000 0.223 365 L C 1.955 178.890 176.870 0.108 0.000 1.140 365 L CA 1.510 56.290 54.840 -0.100 0.000 0.842 365 L CB -2.104 39.647 42.059 -0.514 0.000 0.953 365 L HN 1.642 nan 8.230 nan 0.000 0.452 366 G N -1.974 106.961 108.800 0.226 0.000 2.509 366 G HA2 -0.270 3.690 3.960 0.000 0.000 0.256 366 G HA3 -0.270 3.690 3.960 0.000 0.000 0.256 366 G C 0.493 175.683 174.900 0.482 0.000 1.152 366 G CA 0.876 46.145 45.100 0.281 0.000 0.951 366 G HN 1.416 nan 8.290 nan 0.000 0.559 367 H N -1.193 118.019 119.070 0.236 0.000 1.452 367 H HA -0.273 4.283 4.556 0.000 0.000 0.090 367 H C 2.385 177.772 175.328 0.097 0.000 0.958 367 H CA 3.708 59.853 56.048 0.161 0.000 1.901 367 H CB -1.214 28.654 29.762 0.176 0.000 2.257 367 H HN 1.583 nan 8.280 nan 0.000 0.961 368 G N -0.310 108.553 108.800 0.107 0.000 2.623 368 G HA2 0.031 3.991 3.960 0.000 0.000 0.214 368 G HA3 0.031 3.991 3.960 0.000 0.000 0.214 368 G C -0.145 174.760 174.900 0.008 0.000 1.138 368 G CA 0.189 45.262 45.100 -0.045 0.000 0.794 368 G HN 0.267 nan 8.290 nan 0.000 0.535 369 F N 0.850 120.902 119.950 0.171 0.000 2.519 369 F HA 0.328 4.855 4.527 0.000 0.000 0.381 369 F C 0.314 176.252 175.800 0.230 0.000 1.076 369 F CA -0.569 57.529 58.000 0.162 0.000 1.095 369 F CB -0.087 38.994 39.000 0.135 0.000 1.046 369 F HN -0.043 nan 8.300 nan 0.000 0.559 370 F N 2.306 122.375 119.950 0.198 0.000 2.572 370 F HA 0.436 4.963 4.527 0.000 0.000 0.342 370 F C -0.033 175.862 175.800 0.158 0.000 1.064 370 F CA -1.120 56.980 58.000 0.168 0.000 1.008 370 F CB 1.237 40.300 39.000 0.106 0.000 1.303 370 F HN 0.304 nan 8.300 nan 0.000 0.492 371 E N 3.493 123.658 120.200 -0.058 0.000 2.134 371 E HA 0.321 4.671 4.350 0.000 0.000 0.278 371 E C -2.415 174.334 176.600 0.249 0.000 0.959 371 E CA -2.571 53.861 56.400 0.052 0.000 0.783 371 E CB 1.066 30.713 29.700 -0.088 0.000 1.095 371 E HN 0.127 nan 8.360 nan 0.000 0.399 372 P HA -0.127 nan 4.420 nan 0.000 0.259 372 P C -1.088 176.323 177.300 0.186 0.000 1.155 372 P CA 0.646 63.869 63.100 0.205 0.000 0.759 372 P CB 0.411 32.088 31.700 -0.037 0.000 0.753 373 T N 2.035 116.755 114.554 0.276 0.000 2.900 373 T HA 0.572 4.922 4.350 0.000 0.000 0.295 373 T C -0.579 174.220 174.700 0.165 0.000 1.044 373 T CA -0.532 61.687 62.100 0.199 0.000 0.995 373 T CB 1.626 70.645 68.868 0.252 0.000 1.072 373 T HN 0.034 nan 8.240 nan 0.000 0.473 374 V N 2.906 122.866 119.914 0.076 0.000 2.733 374 V HA 0.548 4.668 4.120 0.000 0.000 0.306 374 V C -0.928 175.171 176.094 0.007 0.000 1.084 374 V CA -0.815 61.495 62.300 0.016 0.000 0.905 374 V CB 1.760 33.542 31.823 -0.068 0.000 1.010 374 V HN 0.714 nan 8.190 nan 0.000 0.424 375 L N 3.666 124.890 121.223 0.002 0.000 2.333 375 L HA 0.913 5.253 4.340 0.000 0.000 0.269 375 L C 0.184 177.050 176.870 -0.007 0.000 1.010 375 L CA -0.472 54.369 54.840 0.002 0.000 0.818 375 L CB 2.518 44.580 42.059 0.004 0.000 1.306 375 L HN 0.814 nan 8.230 nan 0.000 0.430 376 T N -2.864 111.703 114.554 0.022 0.000 2.916 376 T HA 0.593 4.943 4.350 0.000 0.000 0.292 376 T C 0.635 175.377 174.700 0.071 0.000 1.064 376 T CA -0.084 62.084 62.100 0.113 0.000 1.011 376 T CB 1.756 70.731 68.868 0.178 0.000 1.152 376 T HN 1.022 nan 8.240 nan 0.000 0.510 377 G N 0.621 109.501 108.800 0.133 0.000 2.258 377 G HA2 -0.201 3.759 3.960 0.000 0.000 0.274 377 G HA3 -0.201 3.759 3.960 0.000 0.000 0.274 377 G C 0.115 174.946 174.900 -0.114 0.000 1.021 377 G CA 0.096 45.178 45.100 -0.031 0.000 0.798 377 G HN 1.260 nan 8.290 nan 0.000 0.507 378 V N -0.095 119.684 119.914 -0.224 0.000 2.529 378 V HA 0.552 4.672 4.120 0.000 0.000 0.292 378 V C 0.907 176.623 176.094 -0.630 0.000 1.028 378 V CA 0.978 62.973 62.300 -0.509 0.000 1.074 378 V CB 0.436 31.767 31.823 -0.820 0.000 0.958 378 V HN 0.896 nan 8.190 nan 0.000 0.481 379 K N 6.192 126.387 120.400 -0.343 0.000 2.185 379 K HA 0.667 4.987 4.320 0.000 0.000 0.240 379 K C -2.129 174.554 176.600 0.138 0.000 0.983 379 K CA -1.642 54.603 56.287 -0.071 0.000 0.873 379 K CB 0.328 32.823 32.500 -0.008 0.000 1.118 379 K HN 0.491 nan 8.250 nan 0.000 0.441 380 P HA -0.067 nan 4.420 nan 0.000 0.229 380 P C 0.264 177.681 177.300 0.196 0.000 1.160 380 P CA 1.104 64.411 63.100 0.344 0.000 0.777 380 P CB 0.168 32.028 31.700 0.267 0.000 0.814 381 D N -1.773 118.700 120.400 0.123 0.000 2.378 381 D HA -0.086 4.554 4.640 0.000 0.000 0.227 381 D C 0.632 176.967 176.300 0.058 0.000 1.012 381 D CA 0.561 54.607 54.000 0.077 0.000 0.905 381 D CB -0.772 40.060 40.800 0.052 0.000 0.895 381 D HN 0.145 nan 8.370 nan 0.000 0.532 382 M N 0.286 119.925 119.600 0.065 0.000 2.291 382 M HA 0.160 4.640 4.480 0.000 0.000 0.324 382 M C 0.777 177.082 176.300 0.008 0.000 1.148 382 M CA -0.700 54.612 55.300 0.020 0.000 1.104 382 M CB 1.253 33.844 32.600 -0.015 0.000 1.483 382 M HN -0.313 nan 8.290 nan 0.000 0.467 383 D N 0.769 121.128 120.400 -0.067 0.000 2.092 383 D HA -0.157 4.483 4.640 0.000 0.000 0.193 383 D C 1.827 177.984 176.300 -0.237 0.000 0.994 383 D CA 1.205 55.120 54.000 -0.141 0.000 0.828 383 D CB -0.151 40.527 40.800 -0.203 0.000 0.963 383 D HN 0.434 nan 8.370 nan 0.000 0.450 384 V N 1.090 120.771 119.914 -0.389 0.000 2.439 384 V HA -0.287 3.833 4.120 0.000 0.000 0.253 384 V C 2.029 178.161 176.094 0.064 0.000 1.074 384 V CA 2.268 64.415 62.300 -0.255 0.000 1.076 384 V CB -0.578 31.228 31.823 -0.029 0.000 0.664 384 V HN 0.240 nan 8.190 nan 0.000 0.461 385 A N -1.076 121.836 122.820 0.152 0.000 2.248 385 A HA 0.080 4.400 4.320 0.000 0.000 0.210 385 A C 1.966 179.630 177.584 0.133 0.000 1.174 385 A CA 1.903 54.067 52.037 0.211 0.000 0.750 385 A CB -0.557 18.645 19.000 0.337 0.000 0.780 385 A HN 0.785 nan 8.150 nan 0.000 0.478 386 K N -0.523 119.948 120.400 0.119 0.000 2.554 386 K HA 0.420 4.740 4.320 0.000 0.000 0.211 386 K C -0.131 176.592 176.600 0.205 0.000 1.226 386 K CA 0.391 56.769 56.287 0.152 0.000 1.025 386 K CB 0.211 32.780 32.500 0.115 0.000 1.021 386 K HN 0.554 nan 8.250 nan 0.000 0.600 387 E N 0.468 120.774 120.200 0.178 0.000 2.321 387 E HA 0.226 4.576 4.350 0.000 0.000 0.278 387 E C -1.518 175.229 176.600 0.244 0.000 0.902 387 E CA -0.419 56.115 56.400 0.224 0.000 0.758 387 E CB 1.778 31.629 29.700 0.252 0.000 1.213 387 E HN 0.374 nan 8.360 nan 0.000 0.426 388 E N 1.956 122.240 120.200 0.140 0.000 2.265 388 E HA 0.047 4.397 4.350 0.000 0.000 0.272 388 E C 0.404 177.069 176.600 0.107 0.000 1.067 388 E CA 0.152 56.570 56.400 0.029 0.000 0.900 388 E CB 0.969 30.573 29.700 -0.160 0.000 1.017 388 E HN 0.503 nan 8.360 nan 0.000 0.431 389 T N 3.541 118.109 114.554 0.023 0.000 2.720 389 T HA -0.189 4.161 4.350 0.000 0.000 0.268 389 T C 0.553 175.253 174.700 -0.000 0.000 1.037 389 T CA 0.698 62.729 62.100 -0.116 0.000 1.144 389 T CB -0.276 68.558 68.868 -0.057 0.000 0.864 389 T HN 0.652 nan 8.240 nan 0.000 0.444 390 F N 0.658 120.573 119.950 -0.059 0.000 3.097 390 F HA -0.172 4.355 4.527 0.000 0.000 0.278 390 F C 0.897 176.682 175.800 -0.026 0.000 0.917 390 F CA 0.325 58.316 58.000 -0.016 0.000 0.962 390 F CB -1.564 37.459 39.000 0.039 0.000 0.964 390 F HN 0.371 nan 8.300 nan 0.000 0.668 391 G N -1.123 107.688 108.800 0.018 0.000 2.727 391 G HA2 0.653 4.613 3.960 0.000 0.000 0.289 391 G HA3 0.653 4.613 3.960 0.000 0.000 0.289 391 G C -3.053 171.813 174.900 -0.056 0.000 1.418 391 G CA -1.097 43.988 45.100 -0.024 0.000 0.818 391 G HN -0.213 nan 8.290 nan 0.000 0.486 392 P HA 0.281 nan 4.420 nan 0.000 0.237 392 P C -1.004 176.321 177.300 0.043 0.000 1.788 392 P CA -0.055 63.045 63.100 0.001 0.000 1.061 392 P CB 0.397 32.274 31.700 0.294 0.000 1.967 393 L N 2.037 123.210 121.223 -0.083 0.000 2.410 393 L HA 0.722 5.062 4.340 0.000 0.000 0.270 393 L C -0.884 176.029 176.870 0.073 0.000 0.983 393 L CA -1.015 53.853 54.840 0.048 0.000 0.822 393 L CB 2.153 44.254 42.059 0.070 0.000 1.285 393 L HN 0.147 nan 8.230 nan 0.000 0.409 394 A N 6.473 129.370 122.820 0.128 0.000 2.654 394 A HA 0.768 5.088 4.320 0.000 0.000 0.345 394 A C -2.636 175.028 177.584 0.134 0.000 1.368 394 A CA -1.262 50.864 52.037 0.148 0.000 0.895 394 A CB -0.316 18.596 19.000 -0.147 0.000 1.143 394 A HN 0.483 nan 8.150 nan 0.000 0.490 395 P HA 0.388 nan 4.420 nan 0.000 0.293 395 P C -0.715 176.724 177.300 0.232 0.000 1.313 395 P CA -0.013 63.181 63.100 0.158 0.000 0.787 395 P CB 0.978 32.779 31.700 0.168 0.000 0.910 396 L N 4.540 125.791 121.223 0.046 0.000 2.272 396 L HA 0.487 4.827 4.340 0.000 0.000 0.289 396 L C 0.264 177.178 176.870 0.072 0.000 1.032 396 L CA -0.628 54.267 54.840 0.093 0.000 0.810 396 L CB 0.231 42.191 42.059 -0.165 0.000 1.205 396 L HN 0.234 nan 8.230 nan 0.000 0.422 397 F N 1.826 121.769 119.950 -0.013 0.000 2.411 397 F HA 0.595 5.122 4.527 0.000 0.000 0.324 397 F C 0.515 176.520 175.800 0.341 0.000 1.086 397 F CA -0.743 57.273 58.000 0.027 0.000 1.028 397 F CB 1.434 40.156 39.000 -0.462 0.000 1.284 397 F HN 0.408 nan 8.300 nan 0.000 0.501 398 R N 1.983 122.793 120.500 0.516 0.000 2.480 398 R HA 0.521 4.861 4.340 0.000 0.000 0.306 398 R C -1.802 174.720 176.300 0.369 0.000 0.958 398 R CA -0.561 55.769 56.100 0.383 0.000 0.861 398 R CB 1.229 31.584 30.300 0.091 0.000 1.171 398 R HN 0.637 nan 8.270 nan 0.000 0.445 399 F N 1.693 121.707 119.950 0.107 0.000 2.588 399 F HA 0.772 5.299 4.527 -0.000 0.000 0.314 399 F C -0.223 175.440 175.800 -0.228 0.000 1.069 399 F CA -0.739 57.255 58.000 -0.009 0.000 0.931 399 F CB 1.642 40.648 39.000 0.011 0.000 1.260 399 F HN 0.493 nan 8.300 nan 0.000 0.465 400 A N 1.591 124.372 122.820 -0.065 0.000 1.972 400 A HA 0.355 4.675 4.320 0.000 0.000 0.219 400 A C 1.000 178.576 177.584 -0.014 0.000 1.467 400 A CA 0.895 52.828 52.037 -0.174 0.000 0.631 400 A CB -1.163 17.835 19.000 -0.003 0.000 1.143 400 A HN 0.896 nan 8.150 nan 0.000 0.502 401 S N -0.935 114.884 115.700 0.198 0.000 2.671 401 S HA 0.310 4.780 4.470 0.000 0.000 0.272 401 S C 0.808 175.646 174.600 0.398 0.000 1.174 401 S CA 0.170 58.536 58.200 0.277 0.000 1.004 401 S CB 1.121 64.425 63.200 0.173 0.000 1.077 401 S HN 0.490 nan 8.310 nan 0.000 0.553 402 E N 0.165 120.563 120.200 0.331 0.000 2.076 402 E HA -0.151 4.199 4.350 0.000 0.000 0.190 402 E C 1.802 178.483 176.600 0.135 0.000 0.979 402 E CA 0.526 57.107 56.400 0.302 0.000 0.807 402 E CB -0.169 29.653 29.700 0.204 0.000 0.761 402 E HN 0.761 nan 8.360 nan 0.000 0.454 403 E N 0.932 121.193 120.200 0.101 0.000 2.209 403 E HA -0.245 4.105 4.350 0.000 0.000 0.196 403 E C 1.753 178.364 176.600 0.018 0.000 0.993 403 E CA 1.053 57.481 56.400 0.047 0.000 0.819 403 E CB 0.059 29.788 29.700 0.049 0.000 0.745 403 E HN 0.357 nan 8.360 nan 0.000 0.477 404 E N -0.131 120.096 120.200 0.045 0.000 2.076 404 E HA -0.132 4.218 4.350 0.000 0.000 0.190 404 E C 2.239 178.766 176.600 -0.120 0.000 0.979 404 E CA 0.388 56.798 56.400 0.016 0.000 0.807 404 E CB 0.002 29.766 29.700 0.106 0.000 0.761 404 E HN 0.157 nan 8.360 nan 0.000 0.454 405 L N 0.407 121.480 121.223 -0.249 0.000 2.275 405 L HA -0.085 4.255 4.340 0.000 0.000 0.215 405 L C 1.931 178.509 176.870 -0.486 0.000 1.119 405 L CA 0.906 55.361 54.840 -0.641 0.000 0.790 405 L CB 0.059 41.438 42.059 -1.133 0.000 0.919 405 L HN -0.012 nan 8.230 nan 0.000 0.443 406 V N -0.427 119.335 119.914 -0.253 0.000 2.346 406 V HA -0.200 3.920 4.120 0.000 0.000 0.244 406 V C 2.730 178.721 176.094 -0.171 0.000 1.037 406 V CA 1.835 64.026 62.300 -0.182 0.000 1.029 406 V CB -0.477 31.292 31.823 -0.090 0.000 0.663 406 V HN 0.486 nan 8.190 nan 0.000 0.454 407 R N -0.558 119.860 120.500 -0.136 0.000 2.091 407 R HA -0.183 4.157 4.340 0.000 0.000 0.238 407 R C 2.152 178.375 176.300 -0.128 0.000 1.136 407 R CA 1.718 57.758 56.100 -0.100 0.000 0.959 407 R CB -0.228 30.039 30.300 -0.055 0.000 0.856 407 R HN 0.338 nan 8.270 nan 0.000 0.437 408 L N 0.001 121.097 121.223 -0.212 0.000 2.072 408 L HA 0.002 4.342 4.340 0.000 0.000 0.205 408 L C 2.442 179.097 176.870 -0.358 0.000 1.079 408 L CA 1.930 56.624 54.840 -0.243 0.000 0.752 408 L CB -0.729 41.159 42.059 -0.286 0.000 0.906 408 L HN 0.233 nan 8.230 nan 0.000 0.436 409 A N -0.697 121.796 122.820 -0.546 0.000 1.929 409 A HA -0.139 4.181 4.320 0.000 0.000 0.216 409 A C 2.017 179.580 177.584 -0.034 0.000 1.176 409 A CA 1.474 53.270 52.037 -0.403 0.000 0.628 409 A CB -0.475 18.229 19.000 -0.492 0.000 0.816 409 A HN 0.445 nan 8.150 nan 0.000 0.444 410 N N 0.300 118.966 118.700 -0.057 0.000 2.463 410 N HA -0.047 4.693 4.740 0.000 0.000 0.181 410 N C 0.027 175.500 175.510 -0.061 0.000 1.078 410 N CA 0.547 53.578 53.050 -0.032 0.000 0.902 410 N CB -0.231 38.219 38.487 -0.062 0.000 0.970 410 N HN 0.348 nan 8.380 nan 0.000 0.451 411 D N 0.827 121.197 120.400 -0.050 0.000 2.745 411 D HA 0.004 4.644 4.640 0.000 0.000 0.229 411 D C -0.641 175.650 176.300 -0.016 0.000 1.088 411 D CA 0.383 54.362 54.000 -0.035 0.000 1.054 411 D CB -0.435 40.355 40.800 -0.016 0.000 1.132 411 D HN -0.032 nan 8.370 nan 0.000 0.464 412 T N -1.587 112.938 114.554 -0.048 0.000 2.982 412 T HA 0.442 4.792 4.350 0.000 0.000 0.321 412 T C 0.979 175.566 174.700 -0.189 0.000 1.229 412 T CA 0.084 62.154 62.100 -0.050 0.000 1.044 412 T CB 1.235 70.155 68.868 0.087 0.000 1.184 412 T HN 0.010 nan 8.240 nan 0.000 0.477 413 E N 3.049 123.033 120.200 -0.359 0.000 2.267 413 E HA 0.136 4.486 4.350 0.000 0.000 0.197 413 E C 0.199 176.450 176.600 -0.583 0.000 0.998 413 E CA 1.267 57.338 56.400 -0.547 0.000 0.830 413 E CB -0.538 28.704 29.700 -0.763 0.000 0.751 413 E HN 0.590 nan 8.360 nan 0.000 0.491 414 F N -1.252 118.640 119.950 -0.096 0.000 2.403 414 F HA 0.656 5.183 4.527 0.000 0.000 0.326 414 F C 1.302 176.930 175.800 -0.288 0.000 1.099 414 F CA -0.561 57.366 58.000 -0.122 0.000 1.036 414 F CB 1.937 40.912 39.000 -0.041 0.000 1.336 414 F HN 0.027 nan 8.300 nan 0.000 0.497 415 G N 0.607 109.359 108.800 -0.080 0.000 3.876 415 G HA2 0.315 4.275 3.960 0.000 0.000 0.249 415 G HA3 0.315 4.275 3.960 0.000 0.000 0.249 415 G C -0.777 174.028 174.900 -0.157 0.000 3.894 415 G CA -0.273 44.538 45.100 -0.481 0.000 0.527 415 G HN 0.548 nan 8.290 nan 0.000 0.244 416 L N 1.084 122.333 121.223 0.043 0.000 2.370 416 L HA 0.909 5.249 4.340 0.000 0.000 0.191 416 L C 1.237 178.080 176.870 -0.044 0.000 1.203 416 L CA 1.564 56.378 54.840 -0.044 0.000 0.825 416 L CB -0.036 41.984 42.059 -0.066 0.000 1.048 416 L HN 0.566 nan 8.230 nan 0.000 0.487 417 A N -0.889 121.912 122.820 -0.031 0.000 2.380 417 A HA 0.884 5.204 4.320 0.000 0.000 0.315 417 A C -1.109 176.231 177.584 -0.407 0.000 1.101 417 A CA -0.009 51.874 52.037 -0.256 0.000 0.771 417 A CB 1.235 20.028 19.000 -0.345 0.000 1.287 417 A HN 0.533 nan 8.150 nan 0.000 0.436 418 A N 0.184 122.588 122.820 -0.693 0.000 2.556 418 A HA 0.793 5.113 4.320 0.000 0.000 0.294 418 A C -1.880 175.218 177.584 -0.810 0.000 1.091 418 A CA -0.432 51.148 52.037 -0.763 0.000 0.704 418 A CB 1.039 19.466 19.000 -0.955 0.000 1.300 418 A HN 0.906 nan 8.150 nan 0.000 0.406 419 Y N 0.358 120.416 120.300 -0.404 0.000 2.329 419 Y HA 0.553 5.103 4.550 0.000 0.000 0.328 419 Y C -0.531 175.028 175.900 -0.568 0.000 0.992 419 Y CA -0.548 57.250 58.100 -0.502 0.000 1.151 419 Y CB 2.086 40.151 38.460 -0.659 0.000 1.150 419 Y HN 0.612 nan 8.280 nan 0.000 0.450 420 L N 4.531 125.585 121.223 -0.281 0.000 2.319 420 L HA 0.560 4.900 4.340 0.000 0.000 0.281 420 L C -1.912 174.878 176.870 -0.133 0.000 1.005 420 L CA -0.783 53.958 54.840 -0.166 0.000 0.828 420 L CB 0.466 42.449 42.059 -0.127 0.000 1.227 420 L HN 0.532 nan 8.230 nan 0.000 0.415 421 Y N 4.275 124.538 120.300 -0.062 0.000 2.369 421 Y HA 0.672 5.222 4.550 0.000 0.000 0.337 421 Y C 0.481 176.477 175.900 0.160 0.000 0.961 421 Y CA 0.237 58.364 58.100 0.045 0.000 1.186 421 Y CB 1.708 40.214 38.460 0.077 0.000 1.139 421 Y HN 0.770 nan 8.280 nan 0.000 0.494 422 S N 2.100 117.925 115.700 0.208 0.000 2.688 422 S HA 0.636 5.106 4.470 0.000 0.000 0.275 422 S C -0.095 174.567 174.600 0.102 0.000 1.175 422 S CA -0.588 57.730 58.200 0.198 0.000 0.818 422 S CB 1.859 65.146 63.200 0.145 0.000 1.157 422 S HN 0.628 nan 8.310 nan 0.000 0.482 423 R N 0.544 121.088 120.500 0.073 0.000 2.573 423 R HA 0.350 4.690 4.340 0.000 0.000 0.224 423 R C -0.707 175.611 176.300 0.029 0.000 0.904 423 R CA 0.196 56.329 56.100 0.056 0.000 0.995 423 R CB -0.009 30.333 30.300 0.071 0.000 1.430 423 R HN 0.617 nan 8.270 nan 0.000 0.631 424 D N 1.635 122.039 120.400 0.005 0.000 2.482 424 D HA -0.050 4.590 4.640 0.000 0.000 0.244 424 D C 1.542 177.843 176.300 0.002 0.000 1.242 424 D CA 0.092 54.085 54.000 -0.012 0.000 1.097 424 D CB -0.168 40.603 40.800 -0.049 0.000 1.109 424 D HN 0.139 nan 8.370 nan 0.000 0.510 425 I N 2.996 123.583 120.570 0.029 0.000 2.292 425 I HA -0.351 3.819 4.170 0.000 0.000 0.255 425 I C 1.627 177.799 176.117 0.092 0.000 1.078 425 I CA 1.932 63.274 61.300 0.070 0.000 1.365 425 I CB -0.675 37.348 38.000 0.038 0.000 1.049 425 I HN 0.530 nan 8.210 nan 0.000 0.439 426 G N 0.102 108.919 108.800 0.029 0.000 2.524 426 G HA2 -0.294 3.666 3.960 0.000 0.000 0.215 426 G HA3 -0.294 3.666 3.960 0.000 0.000 0.215 426 G C 1.781 176.713 174.900 0.054 0.000 1.239 426 G CA 0.882 45.998 45.100 0.027 0.000 0.798 426 G HN 0.340 nan 8.290 nan 0.000 0.557 427 R N -0.192 120.291 120.500 -0.029 0.000 2.112 427 R HA -0.136 4.204 4.340 0.000 0.000 0.242 427 R C 2.732 178.990 176.300 -0.070 0.000 1.137 427 R CA 1.955 57.986 56.100 -0.115 0.000 0.944 427 R CB -0.710 29.419 30.300 -0.286 0.000 0.857 427 R HN 0.247 nan 8.270 nan 0.000 0.435 428 V N -0.757 119.138 119.914 -0.030 0.000 2.636 428 V HA -0.281 3.839 4.120 0.000 0.000 0.258 428 V C 1.627 177.702 176.094 -0.032 0.000 1.092 428 V CA 1.878 64.167 62.300 -0.017 0.000 1.110 428 V CB -0.597 31.243 31.823 0.028 0.000 0.685 428 V HN 0.476 nan 8.190 nan 0.000 0.481 429 W N -0.267 120.989 121.300 -0.073 0.000 2.574 429 W HA 0.153 4.813 4.660 0.000 0.000 0.282 429 W C 2.730 179.215 176.519 -0.056 0.000 1.197 429 W CA 0.312 57.622 57.345 -0.059 0.000 1.376 429 W CB -0.184 29.246 29.460 -0.050 0.000 1.091 429 W HN -0.073 nan 8.180 nan 0.000 0.569 430 R N -0.124 120.465 120.500 0.148 0.000 2.105 430 R HA -0.170 4.170 4.340 0.000 0.000 0.239 430 R C 1.722 178.025 176.300 0.004 0.000 1.135 430 R CA 1.827 57.966 56.100 0.066 0.000 0.967 430 R CB -0.867 29.449 30.300 0.027 0.000 0.861 430 R HN 0.123 nan 8.270 nan 0.000 0.442 431 V N 0.380 120.276 119.914 -0.030 0.000 2.273 431 V HA -0.140 3.980 4.120 0.000 0.000 0.242 431 V C 2.387 178.420 176.094 -0.102 0.000 1.035 431 V CA 1.707 63.980 62.300 -0.046 0.000 1.013 431 V CB -0.788 31.034 31.823 -0.002 0.000 0.652 431 V HN 0.370 nan 8.190 nan 0.000 0.452 432 A N -0.472 122.242 122.820 -0.176 0.000 2.009 432 A HA -0.318 4.002 4.320 0.000 0.000 0.222 432 A C 2.131 179.574 177.584 -0.235 0.000 1.175 432 A CA 2.365 54.238 52.037 -0.273 0.000 0.651 432 A CB -0.504 18.211 19.000 -0.475 0.000 0.815 432 A HN 0.679 nan 8.150 nan 0.000 0.459 433 E N -1.283 118.815 120.200 -0.170 0.000 2.250 433 E HA 0.149 4.499 4.350 0.000 0.000 0.192 433 E C 2.103 178.665 176.600 -0.063 0.000 0.986 433 E CA 0.525 56.863 56.400 -0.103 0.000 0.849 433 E CB -0.065 29.623 29.700 -0.020 0.000 0.797 433 E HN 0.626 nan 8.360 nan 0.000 0.482 434 A N 0.902 123.689 122.820 -0.054 0.000 2.072 434 A HA 0.068 4.388 4.320 0.000 0.000 0.216 434 A C 1.072 178.632 177.584 -0.039 0.000 1.156 434 A CA 0.033 52.045 52.037 -0.042 0.000 0.701 434 A CB -0.128 18.852 19.000 -0.034 0.000 0.816 434 A HN 0.074 nan 8.150 nan 0.000 0.458 435 L N 1.500 122.700 121.223 -0.038 0.000 2.477 435 L HA 0.071 4.411 4.340 0.000 0.000 0.272 435 L C -0.062 176.851 176.870 0.072 0.000 1.157 435 L CA -0.061 54.808 54.840 0.047 0.000 0.889 435 L CB 0.422 42.484 42.059 0.006 0.000 1.158 435 L HN 0.351 nan 8.230 nan 0.000 0.473 436 E N 4.513 124.734 120.200 0.034 0.000 2.110 436 E HA 0.176 4.526 4.350 0.000 0.000 0.300 436 E C -1.403 174.955 176.600 -0.404 0.000 1.278 436 E CA 0.018 56.320 56.400 -0.164 0.000 1.365 436 E CB 0.033 29.602 29.700 -0.219 0.000 1.283 436 E HN 0.353 nan 8.360 nan 0.000 0.490 437 Y N -1.339 118.872 120.300 -0.148 0.000 2.457 437 Y HA 0.290 4.840 4.550 0.000 0.000 0.343 437 Y C 1.281 177.065 175.900 -0.193 0.000 0.994 437 Y CA -1.046 56.953 58.100 -0.169 0.000 1.031 437 Y CB 1.960 40.301 38.460 -0.198 0.000 1.246 437 Y HN 0.267 nan 8.280 nan 0.000 0.449 438 G N 2.265 111.010 108.800 -0.092 0.000 2.559 438 G HA2 0.024 3.984 3.960 0.000 0.000 0.216 438 G HA3 0.024 3.984 3.960 0.000 0.000 0.216 438 G C 0.135 174.921 174.900 -0.191 0.000 1.126 438 G CA 0.551 45.557 45.100 -0.157 0.000 0.778 438 G HN 0.466 nan 8.290 nan 0.000 0.543 439 M N 0.081 119.567 119.600 -0.190 0.000 2.277 439 M HA 0.397 4.877 4.480 0.000 0.000 0.282 439 M C -1.771 174.351 176.300 -0.296 0.000 1.074 439 M CA -0.395 54.754 55.300 -0.251 0.000 0.954 439 M CB 3.487 35.895 32.600 -0.320 0.000 1.672 439 M HN -0.252 nan 8.290 nan 0.000 0.471 440 V N 1.673 121.408 119.914 -0.299 0.000 2.588 440 V HA 0.779 4.899 4.120 0.000 0.000 0.304 440 V C 0.150 176.047 176.094 -0.328 0.000 1.042 440 V CA -0.675 61.411 62.300 -0.356 0.000 0.877 440 V CB 2.140 33.780 31.823 -0.305 0.000 0.996 440 V HN 0.978 nan 8.190 nan 0.000 0.425 441 G N 4.058 112.631 108.800 -0.379 0.000 2.367 441 G HA2 0.737 4.697 3.960 0.000 0.000 0.314 441 G HA3 0.737 4.697 3.960 0.000 0.000 0.314 441 G C -0.952 173.806 174.900 -0.236 0.000 1.130 441 G CA -0.433 44.541 45.100 -0.210 0.000 0.864 441 G HN 0.599 nan 8.290 nan 0.000 0.486 442 I N 1.657 122.090 120.570 -0.229 0.000 2.447 442 I HA 0.192 4.362 4.170 0.000 0.000 0.287 442 I C -0.148 175.733 176.117 -0.394 0.000 1.023 442 I CA -0.835 60.291 61.300 -0.290 0.000 1.083 442 I CB 1.897 39.774 38.000 -0.206 0.000 1.245 442 I HN 0.535 nan 8.210 nan 0.000 0.434 443 N N 1.895 120.127 118.700 -0.780 0.000 2.661 443 N HA -0.206 4.534 4.740 0.000 0.000 0.249 443 N C -0.031 175.111 175.510 -0.613 0.000 1.142 443 N CA 1.395 53.786 53.050 -1.097 0.000 0.727 443 N CB -1.052 37.220 38.487 -0.359 0.000 1.099 443 N HN 0.737 nan 8.380 nan 0.000 0.558 444 T N -2.850 111.444 114.554 -0.434 0.000 2.865 444 T HA 0.670 5.020 4.350 0.000 0.000 0.294 444 T C 0.900 175.732 174.700 0.220 0.000 1.119 444 T CA 0.108 62.224 62.100 0.028 0.000 1.007 444 T CB 1.864 70.756 68.868 0.040 0.000 1.225 444 T HN 0.081 nan 8.240 nan 0.000 0.515 445 G N 0.924 109.902 108.800 0.296 0.000 3.146 445 G HA2 0.347 4.307 3.960 0.000 0.000 0.238 445 G HA3 0.347 4.307 3.960 0.000 0.000 0.238 445 G C -0.122 174.874 174.900 0.161 0.000 1.022 445 G CA -0.154 45.077 45.100 0.219 0.000 0.880 445 G HN 0.560 nan 8.290 nan 0.000 0.533 446 L N 1.328 122.682 121.223 0.218 0.000 2.334 446 L HA 0.583 4.923 4.340 0.000 0.000 0.273 446 L C 0.913 177.912 176.870 0.215 0.000 1.013 446 L CA -0.778 54.191 54.840 0.214 0.000 0.816 446 L CB 1.944 44.088 42.059 0.141 0.000 1.278 446 L HN 0.242 nan 8.230 nan 0.000 0.431 447 I N -1.937 118.758 120.570 0.210 0.000 4.922 447 I HA 0.128 4.298 4.170 0.000 0.000 0.331 447 I C 0.681 176.883 176.117 0.142 0.000 1.260 447 I CA -0.149 61.232 61.300 0.136 0.000 1.366 447 I CB 0.897 38.944 38.000 0.078 0.000 1.386 447 I HN 0.497 nan 8.210 nan 0.000 0.483 448 S N 3.656 119.473 115.700 0.195 0.000 2.516 448 S HA 0.481 4.951 4.470 0.000 0.000 0.282 448 S C -0.269 174.482 174.600 0.252 0.000 1.286 448 S CA -0.265 58.086 58.200 0.253 0.000 1.066 448 S CB -0.156 63.165 63.200 0.202 0.000 0.884 448 S HN 0.775 nan 8.310 nan 0.000 0.491 449 N N -0.078 118.692 118.700 0.118 0.000 3.185 449 N HA 0.200 4.940 4.740 0.000 0.000 0.238 449 N C 0.355 175.614 175.510 -0.419 0.000 1.451 449 N CA -0.685 52.264 53.050 -0.168 0.000 0.888 449 N CB 0.565 38.962 38.487 -0.150 0.000 1.413 449 N HN 0.481 nan 8.380 nan 0.000 0.511 450 E N 0.118 119.819 120.200 -0.832 0.000 2.047 450 E HA -0.157 4.193 4.350 0.000 0.000 0.191 450 E C 1.601 177.568 176.600 -1.055 0.000 0.987 450 E CA 2.131 57.877 56.400 -1.091 0.000 0.799 450 E CB -0.593 28.219 29.700 -1.480 0.000 0.752 450 E HN 0.587 nan 8.360 nan 0.000 0.449 451 V N -0.666 118.625 119.914 -1.038 0.000 3.241 451 V HA 0.211 4.331 4.120 0.000 0.000 0.269 451 V C 1.113 176.969 176.094 -0.397 0.000 1.151 451 V CA 0.636 62.365 62.300 -0.952 0.000 1.158 451 V CB -0.962 30.538 31.823 -0.538 0.000 0.764 451 V HN 0.356 nan 8.190 nan 0.000 0.508 452 A N 1.927 124.587 122.820 -0.267 0.000 2.305 452 A HA 0.768 5.088 4.320 0.000 0.000 0.322 452 A C -2.574 175.013 177.584 0.005 0.000 1.187 452 A CA -2.102 49.885 52.037 -0.084 0.000 0.825 452 A CB 0.598 19.575 19.000 -0.039 0.000 1.164 452 A HN 0.348 nan 8.150 nan 0.000 0.498 453 P HA 0.157 nan 4.420 nan 0.000 0.270 453 P C -1.091 176.257 177.300 0.080 0.000 1.242 453 P CA 0.374 63.517 63.100 0.071 0.000 0.768 453 P CB 0.180 31.846 31.700 -0.057 0.000 0.820 454 F N 4.376 124.330 119.950 0.005 0.000 2.411 454 F HA 0.679 5.206 4.527 0.000 0.000 0.352 454 F C 0.262 176.054 175.800 -0.012 0.000 1.123 454 F CA 0.450 58.448 58.000 -0.004 0.000 1.044 454 F CB 1.351 40.367 39.000 0.028 0.000 1.135 454 F HN 0.571 nan 8.300 nan 0.000 0.461 455 G N 2.737 111.291 108.800 -0.411 0.000 2.322 455 G HA2 0.469 4.429 3.960 0.000 0.000 0.295 455 G HA3 0.469 4.429 3.960 0.000 0.000 0.295 455 G C -1.419 173.297 174.900 -0.308 0.000 1.369 455 G CA -0.235 44.717 45.100 -0.247 0.000 0.821 455 G HN 0.994 nan 8.290 nan 0.000 0.536 456 G N -1.856 106.839 108.800 -0.176 0.000 3.016 456 G HA2 0.979 4.939 3.960 0.000 0.000 0.270 456 G HA3 0.979 4.939 3.960 0.000 0.000 0.270 456 G C -0.249 174.582 174.900 -0.115 0.000 1.352 456 G CA 0.132 45.143 45.100 -0.149 0.000 1.060 456 G HN 1.932 nan 8.290 nan 0.000 0.538 457 V N -3.740 116.103 119.914 -0.118 0.000 3.156 457 V HA 0.841 4.961 4.120 0.000 0.000 0.311 457 V C 0.515 176.544 176.094 -0.109 0.000 1.208 457 V CA -0.374 61.857 62.300 -0.115 0.000 1.063 457 V CB 1.105 32.842 31.823 -0.144 0.000 1.098 457 V HN 1.092 nan 8.190 nan 0.000 0.452 458 K N -0.741 119.594 120.400 -0.109 0.000 1.867 458 K HA -0.252 4.068 4.320 0.000 0.000 0.140 458 K C 1.028 177.588 176.600 -0.066 0.000 1.408 458 K CA 1.931 58.151 56.287 -0.111 0.000 0.461 458 K CB -1.194 31.206 32.500 -0.167 0.000 0.594 458 K HN 0.858 nan 8.250 nan 0.000 0.888 459 Q N 0.569 120.326 119.800 -0.072 0.000 2.415 459 Q HA 0.077 4.417 4.340 0.000 0.000 0.206 459 Q C 1.075 177.184 176.000 0.182 0.000 0.946 459 Q CA 0.729 56.532 55.803 0.001 0.000 0.951 459 Q CB 0.470 29.109 28.738 -0.165 0.000 1.026 459 Q HN 0.358 nan 8.270 nan 0.000 0.510 460 S N -0.219 115.565 115.700 0.140 0.000 2.558 460 S HA 0.268 4.738 4.470 0.000 0.000 0.217 460 S C 0.922 175.570 174.600 0.080 0.000 0.975 460 S CA 0.462 58.745 58.200 0.139 0.000 0.912 460 S CB 0.507 63.745 63.200 0.063 0.000 0.776 460 S HN 0.639 nan 8.310 nan 0.000 0.526 461 G N 0.706 109.541 108.800 0.058 0.000 2.297 461 G HA2 0.039 3.999 3.960 0.000 0.000 0.209 461 G HA3 0.039 3.999 3.960 0.000 0.000 0.209 461 G C -1.906 173.005 174.900 0.018 0.000 1.267 461 G CA -0.998 44.134 45.100 0.054 0.000 1.127 461 G HN 0.251 nan 8.290 nan 0.000 0.498 462 L N 0.357 121.594 121.223 0.023 0.000 2.445 462 L HA 0.705 5.045 4.340 0.000 0.000 0.262 462 L C 0.848 177.723 176.870 0.010 0.000 0.974 462 L CA -0.117 54.727 54.840 0.006 0.000 0.822 462 L CB 1.681 43.745 42.059 0.007 0.000 1.339 462 L HN 2.587 nan 8.230 nan 0.000 0.409 463 G N 1.826 110.625 108.800 -0.000 0.000 2.796 463 G HA2 -0.124 3.836 3.960 0.000 0.000 0.226 463 G HA3 -0.124 3.836 3.960 0.000 0.000 0.226 463 G C -1.108 173.808 174.900 0.026 0.000 1.381 463 G CA -0.781 44.328 45.100 0.015 0.000 0.867 463 G HN 0.550 nan 8.290 nan 0.000 0.552 464 R N 0.351 120.892 120.500 0.069 0.000 2.673 464 R HA 0.531 4.871 4.340 0.000 0.000 0.281 464 R C -0.813 175.601 176.300 0.191 0.000 0.991 464 R CA -0.676 55.485 56.100 0.102 0.000 0.896 464 R CB 1.950 32.278 30.300 0.046 0.000 1.201 464 R HN 0.727 nan 8.270 nan 0.000 0.457 465 E N 0.761 121.097 120.200 0.228 0.000 2.220 465 E HA 0.615 4.965 4.350 0.000 0.000 0.256 465 E C -0.466 176.316 176.600 0.304 0.000 0.881 465 E CA -0.645 55.909 56.400 0.257 0.000 0.766 465 E CB 2.242 32.037 29.700 0.159 0.000 1.187 465 E HN 0.851 nan 8.360 nan 0.000 0.419 466 G N 2.015 111.075 108.800 0.433 0.000 2.348 466 G HA2 0.212 4.172 3.960 0.000 0.000 0.606 466 G HA3 0.212 4.172 3.960 0.000 0.000 0.606 466 G C -0.215 174.824 174.900 0.232 0.000 1.466 466 G CA -0.431 44.853 45.100 0.306 0.000 0.950 466 G HN 1.141 nan 8.290 nan 0.000 0.657 467 S N -0.694 114.991 115.700 -0.025 0.000 3.381 467 S HA -0.253 4.217 4.470 0.000 0.000 0.636 467 S C 1.189 176.077 174.600 0.481 0.000 2.614 467 S CA 2.155 60.438 58.200 0.137 0.000 2.810 467 S CB -1.011 62.164 63.200 -0.041 0.000 0.331 467 S HN 2.760 nan 8.310 nan 0.000 1.788 468 H N -0.550 118.795 119.070 0.459 0.000 2.421 468 H HA 0.083 4.639 4.556 0.000 0.000 0.298 468 H C 1.674 177.136 175.328 0.223 0.000 1.087 468 H CA 1.799 58.001 56.048 0.257 0.000 1.330 468 H CB -0.972 28.808 29.762 0.030 0.000 1.388 468 H HN 0.577 nan 8.280 nan 0.000 0.526 469 Y N 1.427 121.854 120.300 0.212 0.000 2.298 469 Y HA -0.112 4.438 4.550 0.000 0.000 0.287 469 Y C 2.819 178.872 175.900 0.255 0.000 1.164 469 Y CA 1.320 59.560 58.100 0.232 0.000 1.229 469 Y CB -0.625 37.897 38.460 0.104 0.000 0.977 469 Y HN 0.514 nan 8.280 nan 0.000 0.538 470 G N -0.722 108.370 108.800 0.486 0.000 2.448 470 G HA2 -0.191 3.769 3.960 0.000 0.000 0.218 470 G HA3 -0.191 3.769 3.960 0.000 0.000 0.218 470 G C 1.583 176.732 174.900 0.416 0.000 1.135 470 G CA 0.654 46.038 45.100 0.475 0.000 0.784 470 G HN 0.503 nan 8.290 nan 0.000 0.543 471 I N -0.104 120.720 120.570 0.424 0.000 3.603 471 I HA 0.074 4.244 4.170 0.000 0.000 0.297 471 I C 1.448 177.763 176.117 0.329 0.000 1.269 471 I CA 0.191 61.695 61.300 0.339 0.000 1.361 471 I CB 0.169 38.346 38.000 0.294 0.000 1.063 471 I HN -0.062 nan 8.210 nan 0.000 0.448 472 D N 1.419 121.991 120.400 0.286 0.000 2.123 472 D HA -0.221 4.419 4.640 0.000 0.000 0.196 472 D C 1.398 177.784 176.300 0.145 0.000 0.992 472 D CA 1.467 55.591 54.000 0.206 0.000 0.833 472 D CB -0.178 40.752 40.800 0.216 0.000 0.954 472 D HN 0.345 nan 8.370 nan 0.000 0.455 473 D N -1.057 119.404 120.400 0.101 0.000 2.348 473 D HA -0.096 4.544 4.640 0.000 0.000 0.216 473 D C 1.148 177.295 176.300 -0.256 0.000 0.970 473 D CA 0.484 54.423 54.000 -0.102 0.000 0.889 473 D CB -0.209 40.462 40.800 -0.216 0.000 0.912 473 D HN 0.398 nan 8.370 nan 0.000 0.524 474 Y N -0.301 120.026 120.300 0.044 0.000 2.457 474 Y HA 0.136 4.686 4.550 0.000 0.000 0.263 474 Y C 0.795 176.732 175.900 0.063 0.000 1.164 474 Y CA -0.366 57.755 58.100 0.034 0.000 1.274 474 Y CB 0.470 38.940 38.460 0.015 0.000 1.097 474 Y HN -0.193 nan 8.280 nan 0.000 0.523 475 V N -2.578 117.435 119.914 0.166 0.000 2.715 475 V HA 0.664 4.784 4.120 0.000 0.000 0.310 475 V C -0.390 175.762 176.094 0.097 0.000 1.054 475 V CA -1.342 61.042 62.300 0.140 0.000 0.928 475 V CB 1.913 33.817 31.823 0.136 0.000 1.007 475 V HN -0.271 nan 8.190 nan 0.000 0.437 476 V N 4.294 124.270 119.914 0.103 0.000 2.539 476 V HA 0.503 4.623 4.120 0.000 0.000 0.292 476 V C 0.022 176.165 176.094 0.081 0.000 1.045 476 V CA -0.387 61.964 62.300 0.084 0.000 0.945 476 V CB 1.632 33.512 31.823 0.095 0.000 0.993 476 V HN 0.977 nan 8.190 nan 0.000 0.464 477 I N 4.989 125.602 120.570 0.071 0.000 2.365 477 I HA 0.493 4.663 4.170 0.000 0.000 0.291 477 I C -0.301 175.866 176.117 0.083 0.000 1.004 477 I CA 0.259 61.603 61.300 0.072 0.000 1.311 477 I CB 0.698 38.736 38.000 0.064 0.000 1.401 477 I HN 0.624 nan 8.210 nan 0.000 0.491 478 K N 6.428 126.880 120.400 0.087 0.000 2.376 478 K HA 0.298 4.618 4.320 0.000 0.000 0.257 478 K C -1.919 174.763 176.600 0.137 0.000 0.939 478 K CA -0.813 55.529 56.287 0.092 0.000 0.809 478 K CB 1.087 33.620 32.500 0.055 0.000 1.121 478 K HN 0.691 nan 8.250 nan 0.000 0.425 479 Y N 6.124 126.431 120.300 0.012 0.000 2.353 479 Y HA 0.377 4.927 4.550 0.000 0.000 0.340 479 Y C -1.552 174.351 175.900 0.005 0.000 0.972 479 Y CA -0.993 57.112 58.100 0.008 0.000 1.157 479 Y CB 0.608 39.073 38.460 0.009 0.000 1.157 479 Y HN 0.434 nan 8.280 nan 0.000 0.495 480 L N 7.170 128.303 121.223 -0.149 0.000 2.282 480 L HA 0.439 4.779 4.340 0.000 0.000 0.288 480 L C -0.566 176.088 176.870 -0.360 0.000 1.033 480 L CA -0.794 53.874 54.840 -0.287 0.000 0.807 480 L CB 1.403 43.403 42.059 -0.099 0.000 1.209 480 L HN 0.732 nan 8.230 nan 0.000 0.423 481 C N 4.753 123.773 119.300 -0.467 0.000 2.264 481 C HA 0.616 5.076 4.460 0.000 0.000 0.322 481 C C 0.071 174.995 174.990 -0.111 0.000 1.210 481 C CA -0.394 58.482 59.018 -0.237 0.000 1.539 481 C CB 0.365 27.935 27.740 -0.283 0.000 2.167 481 C HN 0.583 nan 8.230 nan 0.000 0.463 482 V N 6.582 126.471 119.914 -0.041 0.000 2.370 482 V HA 0.541 4.661 4.120 0.000 0.000 0.279 482 V C 0.817 176.904 176.094 -0.012 0.000 1.029 482 V CA -0.337 61.945 62.300 -0.030 0.000 0.870 482 V CB 1.240 33.051 31.823 -0.020 0.000 0.984 482 V HN 1.036 nan 8.190 nan 0.000 0.451 483 A N 5.156 127.966 122.820 -0.017 0.000 2.451 483 A HA 0.480 4.800 4.320 0.000 0.000 0.266 483 A C 0.213 177.794 177.584 -0.006 0.000 1.119 483 A CA 0.151 52.183 52.037 -0.008 0.000 0.786 483 A CB 0.521 19.515 19.000 -0.011 0.000 1.061 483 A HN 0.746 nan 8.150 nan 0.000 0.503 484 V N 0.000 119.913 119.914 -0.001 0.000 2.409 484 V HA 0.000 4.120 4.120 0.000 0.000 0.244 484 V CA 0.000 62.299 62.300 -0.001 0.000 1.235 484 V CB 0.000 31.824 31.823 0.002 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556