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 2vak_1_K DATA FIRST_RESID 4 DATA SEQUENCE ISEFGSTMAR AIYDFFSTPF GNRGLATNRT QLSSLLSSSN SPWQXXXXXX DATA SEQUENCE XXXXXXXIVS TPEAPYPGSL MYQESMLHSA TVPGVLGSRD AWRTFNVFGL DATA SEQUENCE SWTDEGLSGL VAAQDPPPAA PYQPASAQWS DLLNYPRWAN RRRELQSKYP DATA SEQUENCE LLLRSTLLSA MRAGPVLYVE TWPNMISGRL ADWFMSQYGN NFVDMCARLT DATA SEQUENCE QSCSNMPVEP DGNYDQQMRA LISLWLLSYI GVVNQTNTIS GFYFSSKTRG DATA SEQUENCE QALDSWTLFY TTNTNRVQIT QRHFAYVCAR SPDWNVDKSW IAAANLTAIV DATA SEQUENCE MACRQPPVFA NQGVINQAQN RPGFSMNGGT PVHELNLLTT AQECIRQWVM DATA SEQUENCE AGLVSAAKGQ ALTQEANDFS NLIQADLGQI KAQDDALYNQ QPGYARRIKP DATA SEQUENCE FVNGDWTPGM TAQALAVLAT FTA 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.063 176.117 -0.090 0.000 1.063 4 I CA 0.000 61.253 61.300 -0.079 0.000 1.566 4 I CB 0.000 37.982 38.000 -0.030 0.000 1.214 5 S N 3.561 119.213 115.700 -0.079 0.000 2.506 5 S HA -0.009 4.461 4.470 0.000 0.000 0.291 5 S C 1.446 175.961 174.600 -0.141 0.000 1.230 5 S CA 0.516 58.671 58.200 -0.074 0.000 1.107 5 S CB 0.158 63.332 63.200 -0.044 0.000 0.942 5 S HN 0.416 nan 8.310 nan 0.000 0.502 6 E N 3.999 124.039 120.200 -0.265 0.000 2.267 6 E HA -0.199 4.151 4.350 0.000 0.000 0.197 6 E C 0.357 176.627 176.600 -0.549 0.000 0.998 6 E CA 1.439 57.552 56.400 -0.478 0.000 0.830 6 E CB -0.162 29.131 29.700 -0.678 0.000 0.751 6 E HN 0.873 nan 8.360 nan 0.000 0.491 7 F N 0.052 119.948 119.950 -0.089 0.000 2.656 7 F HA 0.336 4.863 4.527 0.000 0.000 0.291 7 F C 1.604 177.323 175.800 -0.135 0.000 1.122 7 F CA 0.641 58.578 58.000 -0.105 0.000 1.427 7 F CB 0.480 39.423 39.000 -0.095 0.000 1.125 7 F HN 0.249 nan 8.300 nan 0.000 0.583 8 G N 0.120 108.926 108.800 0.010 0.000 2.527 8 G HA2 -0.207 3.753 3.960 0.000 0.000 0.227 8 G HA3 -0.207 3.753 3.960 0.000 0.000 0.227 8 G C -0.370 174.487 174.900 -0.070 0.000 1.291 8 G CA -0.382 44.674 45.100 -0.074 0.000 0.904 8 G HN 0.112 nan 8.290 nan 0.000 0.577 9 S N 0.851 116.490 115.700 -0.101 0.000 2.488 9 S HA 0.536 5.006 4.470 0.000 0.000 0.310 9 S C 1.153 175.703 174.600 -0.083 0.000 1.093 9 S CA 0.475 58.618 58.200 -0.096 0.000 1.129 9 S CB 1.117 64.255 63.200 -0.104 0.000 0.989 9 S HN 1.374 nan 8.310 nan 0.000 0.479 10 T N -0.749 113.757 114.554 -0.080 0.000 3.014 10 T HA 0.287 4.637 4.350 0.000 0.000 0.250 10 T C 0.643 175.288 174.700 -0.092 0.000 1.060 10 T CA -0.077 61.970 62.100 -0.090 0.000 1.040 10 T CB -0.148 68.664 68.868 -0.094 0.000 0.971 10 T HN 0.407 nan 8.240 nan 0.000 0.497 11 M N 2.525 122.072 119.600 -0.088 0.000 2.188 11 M HA 0.511 4.991 4.480 0.000 0.000 0.354 11 M C 0.630 176.881 176.300 -0.082 0.000 1.342 11 M CA -0.610 54.639 55.300 -0.085 0.000 1.117 11 M CB 0.649 33.200 32.600 -0.082 0.000 1.670 11 M HN 0.266 nan 8.290 nan 0.000 0.466 12 A N 3.995 126.769 122.820 -0.077 0.000 2.466 12 A HA 0.175 4.496 4.320 0.000 0.000 0.238 12 A C 0.308 177.834 177.584 -0.097 0.000 1.074 12 A CA -0.193 51.800 52.037 -0.074 0.000 0.774 12 A CB 0.212 19.178 19.000 -0.056 0.000 1.015 12 A HN 0.929 nan 8.150 nan 0.000 0.498 13 R N 0.925 121.347 120.500 -0.129 0.000 2.590 13 R HA 0.356 4.696 4.340 0.000 0.000 0.274 13 R C 0.574 176.708 176.300 -0.277 0.000 1.061 13 R CA 0.753 56.701 56.100 -0.254 0.000 1.081 13 R CB 0.378 30.438 30.300 -0.400 0.000 0.984 13 R HN 0.798 nan 8.270 nan 0.000 0.448 14 A N 5.337 127.973 122.820 -0.307 0.000 2.377 14 A HA 0.292 4.612 4.320 0.000 0.000 0.209 14 A C 0.164 177.635 177.584 -0.189 0.000 1.359 14 A CA -0.282 51.657 52.037 -0.163 0.000 1.026 14 A CB 0.489 19.443 19.000 -0.076 0.000 1.224 14 A HN 0.574 nan 8.150 nan 0.000 0.528 15 I N 0.787 121.152 120.570 -0.342 0.000 2.362 15 I HA 0.341 4.511 4.170 0.000 0.000 0.289 15 I C -1.408 174.483 176.117 -0.375 0.000 0.994 15 I CA -0.629 60.552 61.300 -0.199 0.000 1.158 15 I CB 1.308 39.248 38.000 -0.100 0.000 1.315 15 I HN 0.213 nan 8.210 nan 0.000 0.451 16 Y N 4.142 124.368 120.300 -0.124 0.000 2.842 16 Y HA 0.341 4.891 4.550 0.000 0.000 0.334 16 Y C -0.273 175.679 175.900 0.088 0.000 1.019 16 Y CA -0.850 57.096 58.100 -0.256 0.000 1.258 16 Y CB 0.542 38.718 38.460 -0.473 0.000 1.106 16 Y HN 0.445 nan 8.280 nan 0.000 0.545 17 D N 2.172 122.794 120.400 0.370 0.000 2.163 17 D HA 0.304 4.944 4.640 0.000 0.000 0.248 17 D C -1.195 175.518 176.300 0.688 0.000 1.035 17 D CA -0.267 54.012 54.000 0.464 0.000 0.872 17 D CB 1.659 42.614 40.800 0.260 0.000 1.183 17 D HN 0.258 nan 8.370 nan 0.000 0.445 18 F N 2.497 122.753 119.950 0.509 0.000 2.520 18 F HA 0.540 5.067 4.527 0.000 0.000 0.322 18 F C -1.708 174.232 175.800 0.233 0.000 1.103 18 F CA -1.165 57.047 58.000 0.352 0.000 0.926 18 F CB 1.161 40.326 39.000 0.276 0.000 1.154 18 F HN 0.105 nan 8.300 nan 0.000 0.453 19 F N 5.203 124.434 119.950 -1.197 0.000 2.477 19 F HA 0.534 5.061 4.527 0.000 0.000 0.335 19 F C -0.284 174.776 175.800 -1.233 0.000 1.130 19 F CA -0.713 56.472 58.000 -1.358 0.000 0.948 19 F CB 1.298 39.253 39.000 -1.741 0.000 1.154 19 F HN 0.532 nan 8.300 nan 0.000 0.439 20 S N 3.081 118.073 115.700 -1.180 0.000 2.632 20 S HA 0.420 4.890 4.470 0.000 0.000 0.267 20 S C -0.080 174.093 174.600 -0.712 0.000 1.276 20 S CA -0.681 57.149 58.200 -0.617 0.000 0.998 20 S CB 0.857 63.982 63.200 -0.126 0.000 0.953 20 S HN 0.660 nan 8.310 nan 0.000 0.547 21 T N 4.206 118.592 114.554 -0.280 0.000 2.867 21 T HA 0.263 4.613 4.350 0.000 0.000 0.297 21 T C -2.349 172.261 174.700 -0.150 0.000 0.989 21 T CA -0.331 61.675 62.100 -0.157 0.000 1.159 21 T CB -0.094 68.755 68.868 -0.031 0.000 0.928 21 T HN 0.528 nan 8.240 nan 0.000 0.538 22 P HA 0.375 nan 4.420 nan 0.000 0.272 22 P C -0.658 176.658 177.300 0.027 0.000 1.223 22 P CA -0.309 62.700 63.100 -0.152 0.000 0.784 22 P CB 0.300 31.964 31.700 -0.061 0.000 0.923 23 F N -1.428 118.515 119.950 -0.013 0.000 2.711 23 F HA 0.816 5.343 4.527 0.000 0.000 0.313 23 F C 0.189 176.035 175.800 0.077 0.000 1.141 23 F CA -1.001 57.009 58.000 0.016 0.000 0.941 23 F CB 0.567 39.599 39.000 0.054 0.000 1.349 23 F HN 0.394 nan 8.300 nan 0.000 0.464 24 G N 0.193 109.304 108.800 0.518 0.000 2.849 24 G HA2 0.283 4.243 3.960 0.000 0.000 0.174 24 G HA3 0.283 4.243 3.960 0.000 0.000 0.174 24 G C -0.373 174.821 174.900 0.490 0.000 1.370 24 G CA -0.333 45.030 45.100 0.439 0.000 1.040 24 G HN 0.775 nan 8.290 nan 0.000 0.582 25 N N -0.383 118.509 118.700 0.319 0.000 2.336 25 N HA 0.040 4.780 4.740 0.000 0.000 0.189 25 N C 1.107 176.658 175.510 0.067 0.000 1.113 25 N CA 0.059 53.215 53.050 0.176 0.000 0.858 25 N CB 0.331 38.875 38.487 0.094 0.000 0.970 25 N HN 0.203 nan 8.380 nan 0.000 0.471 26 R N 0.844 121.315 120.500 -0.048 0.000 2.586 26 R HA 0.383 4.723 4.340 0.000 0.000 0.306 26 R C 0.765 177.029 176.300 -0.060 0.000 1.079 26 R CA 0.175 56.165 56.100 -0.184 0.000 1.083 26 R CB -0.619 29.378 30.300 -0.504 0.000 1.306 26 R HN 0.255 nan 8.270 nan 0.000 0.567 27 G N 1.321 110.135 108.800 0.023 0.000 2.693 27 G HA2 -0.308 3.652 3.960 0.000 0.000 0.226 27 G HA3 -0.308 3.652 3.960 0.000 0.000 0.226 27 G C -0.591 173.840 174.900 -0.782 0.000 1.354 27 G CA -0.476 44.339 45.100 -0.475 0.000 0.873 27 G HN 0.304 nan 8.290 nan 0.000 0.562 28 L N 0.951 121.450 121.223 -1.208 0.000 2.455 28 L HA 0.583 4.923 4.340 0.000 0.000 0.272 28 L C 1.523 178.312 176.870 -0.135 0.000 1.174 28 L CA 1.017 55.498 54.840 -0.597 0.000 0.869 28 L CB 0.770 42.635 42.059 -0.324 0.000 1.130 28 L HN 1.694 nan 8.230 nan 0.000 0.474 29 A N 4.083 126.882 122.820 -0.036 0.000 3.074 29 A HA 0.436 4.756 4.320 0.000 0.000 0.251 29 A C 0.420 177.925 177.584 -0.132 0.000 1.695 29 A CA 0.248 52.310 52.037 0.042 0.000 1.343 29 A CB -0.828 18.176 19.000 0.006 0.000 1.078 29 A HN 0.783 nan 8.150 nan 0.000 0.644 30 T N -0.232 114.152 114.554 -0.284 0.000 2.778 30 T HA 0.628 4.978 4.350 0.000 0.000 0.293 30 T C -1.218 173.053 174.700 -0.715 0.000 1.144 30 T CA -0.308 61.504 62.100 -0.479 0.000 1.010 30 T CB 1.137 69.691 68.868 -0.524 0.000 1.325 30 T HN 0.778 nan 8.240 nan 0.000 0.515 31 N N -0.381 117.875 118.700 -0.741 0.000 3.020 31 N HA 0.365 5.105 4.740 0.000 0.000 0.248 31 N C 0.422 175.657 175.510 -0.459 0.000 1.480 31 N CA -0.953 51.708 53.050 -0.647 0.000 0.874 31 N CB 0.777 39.101 38.487 -0.271 0.000 1.433 31 N HN 0.525 nan 8.380 nan 0.000 0.530 32 R N -0.689 119.700 120.500 -0.185 0.000 2.091 32 R HA -0.120 4.220 4.340 0.000 0.000 0.238 32 R C 0.771 177.007 176.300 -0.107 0.000 1.136 32 R CA 2.598 58.652 56.100 -0.077 0.000 0.959 32 R CB -0.721 29.583 30.300 0.007 0.000 0.856 32 R HN 0.760 nan 8.270 nan 0.000 0.437 33 T N 0.571 115.060 114.554 -0.109 0.000 2.652 33 T HA -0.243 4.107 4.350 0.000 0.000 0.267 33 T C 1.723 176.350 174.700 -0.121 0.000 1.039 33 T CA 1.600 63.642 62.100 -0.098 0.000 1.153 33 T CB -0.301 68.516 68.868 -0.084 0.000 0.863 33 T HN 0.401 nan 8.240 nan 0.000 0.428 34 Q N 0.400 120.102 119.800 -0.164 0.000 2.061 34 Q HA -0.094 4.246 4.340 0.000 0.000 0.204 34 Q C 2.408 178.308 176.000 -0.167 0.000 0.984 34 Q CA 1.268 56.969 55.803 -0.170 0.000 0.846 34 Q CB -0.323 28.288 28.738 -0.212 0.000 0.902 34 Q HN 0.507 nan 8.270 nan 0.000 0.421 35 L N 0.130 121.233 121.223 -0.200 0.000 2.012 35 L HA -0.211 4.129 4.340 0.000 0.000 0.210 35 L C 2.588 179.381 176.870 -0.129 0.000 1.073 35 L CA 1.369 56.106 54.840 -0.171 0.000 0.748 35 L CB -0.540 41.417 42.059 -0.170 0.000 0.891 35 L HN 0.189 nan 8.230 nan 0.000 0.431 36 S N -0.190 115.445 115.700 -0.109 0.000 2.399 36 S HA -0.173 4.297 4.470 0.000 0.000 0.231 36 S C 2.140 176.694 174.600 -0.077 0.000 1.022 36 S CA 1.523 59.672 58.200 -0.086 0.000 0.983 36 S CB -0.277 62.882 63.200 -0.069 0.000 0.803 36 S HN 0.641 nan 8.310 nan 0.000 0.480 37 S N 1.313 116.965 115.700 -0.080 0.000 2.474 37 S HA 0.077 4.547 4.470 0.000 0.000 0.235 37 S C 1.606 176.168 174.600 -0.063 0.000 0.997 37 S CA 0.586 58.746 58.200 -0.066 0.000 0.949 37 S CB -0.465 62.694 63.200 -0.068 0.000 0.766 37 S HN 0.465 nan 8.310 nan 0.000 0.517 38 L N 0.294 121.469 121.223 -0.080 0.000 2.249 38 L HA 0.330 4.670 4.340 0.000 0.000 0.207 38 L C 0.706 177.533 176.870 -0.072 0.000 1.090 38 L CA 0.045 54.839 54.840 -0.077 0.000 0.802 38 L CB -0.391 41.605 42.059 -0.106 0.000 0.947 38 L HN 0.235 nan 8.230 nan 0.000 0.453 39 L N 1.041 122.216 121.223 -0.081 0.000 2.490 39 L HA 0.029 4.369 4.340 0.000 0.000 0.274 39 L C 1.021 177.865 176.870 -0.043 0.000 1.201 39 L CA -0.159 54.635 54.840 -0.076 0.000 0.869 39 L CB 0.526 42.534 42.059 -0.085 0.000 1.123 39 L HN 0.196 nan 8.230 nan 0.000 0.484 40 S N 1.343 117.026 115.700 -0.028 0.000 2.584 40 S HA 0.036 4.506 4.470 0.000 0.000 0.270 40 S C 1.362 175.962 174.600 -0.001 0.000 1.346 40 S CA -0.215 57.982 58.200 -0.005 0.000 1.018 40 S CB 1.303 64.511 63.200 0.015 0.000 0.899 40 S HN 0.734 nan 8.310 nan 0.000 0.542 41 S N 2.867 118.569 115.700 0.004 0.000 2.400 41 S HA -0.198 4.272 4.470 0.000 0.000 0.234 41 S C 1.788 176.396 174.600 0.013 0.000 1.049 41 S CA 1.700 59.903 58.200 0.006 0.000 1.039 41 S CB -1.373 61.832 63.200 0.009 0.000 0.856 41 S HN 0.844 nan 8.310 nan 0.000 0.465 42 S N 2.092 117.805 115.700 0.023 0.000 2.481 42 S HA 0.094 4.564 4.470 0.000 0.000 0.231 42 S C 0.525 175.147 174.600 0.036 0.000 0.996 42 S CA 0.576 58.797 58.200 0.034 0.000 0.942 42 S CB -0.542 62.687 63.200 0.048 0.000 0.768 42 S HN 0.756 nan 8.310 nan 0.000 0.520 43 N N -0.235 118.476 118.700 0.019 0.000 3.041 43 N HA -0.134 4.606 4.740 0.000 0.000 0.238 43 N C -0.362 175.149 175.510 0.001 0.000 1.005 43 N CA 0.654 53.705 53.050 0.001 0.000 0.919 43 N CB -1.396 37.097 38.487 0.011 0.000 1.104 43 N HN 0.329 nan 8.380 nan 0.000 0.551 44 S N 0.972 116.685 115.700 0.023 0.000 2.452 44 S HA 0.380 4.851 4.470 0.000 0.000 0.284 44 S C -1.305 173.236 174.600 -0.099 0.000 1.171 44 S CA -1.495 56.726 58.200 0.036 0.000 1.064 44 S CB 0.975 64.258 63.200 0.139 0.000 0.967 44 S HN 0.021 nan 8.310 nan 0.000 0.484 45 P HA 0.021 nan 4.420 nan 0.000 0.230 45 P C 0.249 177.327 177.300 -0.372 0.000 1.158 45 P CA 0.827 63.640 63.100 -0.479 0.000 0.769 45 P CB -0.090 31.134 31.700 -0.793 0.000 0.807 46 W N -0.321 121.059 121.300 0.132 0.000 2.762 46 W HA 0.239 4.899 4.660 0.000 0.000 0.265 46 W C 1.480 178.034 176.519 0.059 0.000 1.263 46 W CA -0.426 56.973 57.345 0.090 0.000 1.411 46 W CB -0.753 28.749 29.460 0.069 0.000 1.065 46 W HN -0.102 nan 8.180 nan 0.000 0.609 62 V N 0.350 120.269 119.914 0.007 0.000 4.370 62 V HA 0.161 4.281 4.120 0.000 0.000 0.404 62 V C 0.235 176.324 176.094 -0.008 0.000 1.779 62 V CA -0.180 62.121 62.300 0.003 0.000 1.757 62 V CB 0.712 32.541 31.823 0.010 0.000 1.041 62 V HN 0.354 nan 8.190 nan 0.000 0.433 63 S N 1.332 117.022 115.700 -0.017 0.000 2.558 63 S HA 0.394 4.864 4.470 0.000 0.000 0.288 63 S C 0.313 174.882 174.600 -0.053 0.000 1.318 63 S CA 1.104 59.275 58.200 -0.048 0.000 1.056 63 S CB 0.930 64.083 63.200 -0.079 0.000 0.853 63 S HN 0.521 nan 8.310 nan 0.000 0.505 64 T N 3.474 117.989 114.554 -0.065 0.000 2.906 64 T HA 0.434 4.784 4.350 0.000 0.000 0.295 64 T C -1.920 172.738 174.700 -0.070 0.000 1.075 64 T CA -1.575 60.492 62.100 -0.054 0.000 1.005 64 T CB 1.580 70.424 68.868 -0.041 0.000 1.136 64 T HN 0.195 nan 8.240 nan 0.000 0.498 65 P HA -0.083 nan 4.420 nan 0.000 0.217 65 P C 1.268 178.544 177.300 -0.042 0.000 1.150 65 P CA 0.812 63.882 63.100 -0.051 0.000 0.832 65 P CB 0.218 31.900 31.700 -0.030 0.000 0.787 66 E N -0.335 119.841 120.200 -0.041 0.000 2.418 66 E HA 0.037 4.387 4.350 0.000 0.000 0.197 66 E C 0.604 177.180 176.600 -0.040 0.000 1.026 66 E CA 0.647 57.019 56.400 -0.045 0.000 0.862 66 E CB -0.343 29.322 29.700 -0.058 0.000 0.799 66 E HN 0.139 nan 8.360 nan 0.000 0.518 67 A N 2.088 124.884 122.820 -0.040 0.000 3.300 67 A HA 0.368 4.688 4.320 0.000 0.000 0.300 67 A C -2.160 175.386 177.584 -0.064 0.000 1.099 67 A CA -1.023 50.999 52.037 -0.024 0.000 0.846 67 A CB 0.973 19.965 19.000 -0.013 0.000 1.255 67 A HN -0.104 nan 8.150 nan 0.000 0.519 68 P HA -0.016 nan 4.420 nan 0.000 0.225 68 P C -0.202 176.761 177.300 -0.561 0.000 1.156 68 P CA 1.244 64.126 63.100 -0.363 0.000 0.787 68 P CB -0.005 31.406 31.700 -0.482 0.000 0.802 69 Y N -2.085 118.207 120.300 -0.013 0.000 2.570 69 Y HA 0.356 4.906 4.550 0.000 0.000 0.345 69 Y C -1.455 174.440 175.900 -0.008 0.000 1.014 69 Y CA -2.673 55.413 58.100 -0.023 0.000 1.063 69 Y CB 0.684 39.092 38.460 -0.087 0.000 1.272 69 Y HN -0.338 nan 8.280 nan 0.000 0.477 70 P HA -0.182 nan 4.420 nan 0.000 0.216 70 P C 1.422 178.812 177.300 0.151 0.000 1.153 70 P CA 2.297 65.486 63.100 0.149 0.000 0.858 70 P CB 0.072 31.875 31.700 0.171 0.000 0.789 71 G N -1.217 107.627 108.800 0.074 0.000 2.559 71 G HA2 -0.176 3.784 3.960 0.000 0.000 0.216 71 G HA3 -0.176 3.784 3.960 0.000 0.000 0.216 71 G C 1.562 176.514 174.900 0.087 0.000 1.126 71 G CA 0.506 45.609 45.100 0.005 0.000 0.778 71 G HN 0.199 nan 8.290 nan 0.000 0.543 72 S N 0.275 116.032 115.700 0.094 0.000 2.368 72 S HA -0.015 4.455 4.470 0.000 0.000 0.225 72 S C 2.251 176.945 174.600 0.156 0.000 1.030 72 S CA 0.660 58.940 58.200 0.133 0.000 0.999 72 S CB -0.162 63.099 63.200 0.102 0.000 0.844 72 S HN 0.363 nan 8.310 nan 0.000 0.459 73 L N 0.611 121.911 121.223 0.127 0.000 2.072 73 L HA -0.052 4.288 4.340 0.000 0.000 0.205 73 L C 2.586 179.523 176.870 0.111 0.000 1.079 73 L CA 0.950 55.844 54.840 0.090 0.000 0.752 73 L CB -0.484 41.617 42.059 0.070 0.000 0.906 73 L HN 0.327 nan 8.230 nan 0.000 0.436 74 M N -1.192 118.526 119.600 0.197 0.000 2.073 74 M HA -0.303 4.177 4.480 0.000 0.000 0.258 74 M C 2.487 178.921 176.300 0.224 0.000 1.070 74 M CA 2.161 57.598 55.300 0.228 0.000 1.103 74 M CB -0.536 32.280 32.600 0.359 0.000 1.321 74 M HN 0.188 nan 8.290 nan 0.000 0.405 75 Y N 1.166 121.571 120.300 0.175 0.000 2.097 75 Y HA -0.288 4.262 4.550 0.000 0.000 0.282 75 Y C 2.342 178.260 175.900 0.029 0.000 1.152 75 Y CA 1.992 60.167 58.100 0.125 0.000 1.136 75 Y CB -0.512 38.040 38.460 0.153 0.000 0.975 75 Y HN 0.301 nan 8.280 nan 0.000 0.498 76 Q N -0.309 119.474 119.800 -0.029 0.000 2.167 76 Q HA -0.187 4.153 4.340 0.000 0.000 0.202 76 Q C 2.029 177.882 176.000 -0.244 0.000 0.970 76 Q CA 1.666 57.359 55.803 -0.185 0.000 0.855 76 Q CB -0.160 28.532 28.738 -0.077 0.000 0.911 76 Q HN 0.621 nan 8.270 nan 0.000 0.438 77 E N 0.488 120.562 120.200 -0.210 0.000 2.150 77 E HA -0.163 4.187 4.350 0.000 0.000 0.193 77 E C 2.193 178.435 176.600 -0.597 0.000 0.985 77 E CA 1.207 57.375 56.400 -0.387 0.000 0.814 77 E CB -0.011 29.521 29.700 -0.281 0.000 0.752 77 E HN 0.320 nan 8.360 nan 0.000 0.466 78 S N 0.867 116.378 115.700 -0.314 0.000 2.368 78 S HA -0.203 4.267 4.470 0.000 0.000 0.225 78 S C 2.070 176.592 174.600 -0.131 0.000 1.030 78 S CA 1.081 59.186 58.200 -0.158 0.000 0.999 78 S CB -0.246 62.907 63.200 -0.078 0.000 0.844 78 S HN 0.167 nan 8.310 nan 0.000 0.459 79 M N 0.366 119.806 119.600 -0.267 0.000 2.200 79 M HA 0.075 4.556 4.480 0.000 0.000 0.265 79 M C 2.300 178.556 176.300 -0.074 0.000 1.066 79 M CA 1.080 56.273 55.300 -0.178 0.000 1.127 79 M CB -0.585 31.826 32.600 -0.315 0.000 1.379 79 M HN 0.405 nan 8.290 nan 0.000 0.420 80 L N 0.346 121.471 121.223 -0.163 0.000 1.989 80 L HA -0.225 4.115 4.340 0.000 0.000 0.211 80 L C 2.179 179.096 176.870 0.078 0.000 1.071 80 L CA 2.159 56.943 54.840 -0.094 0.000 0.749 80 L CB -0.892 41.047 42.059 -0.200 0.000 0.890 80 L HN 0.306 nan 8.230 nan 0.000 0.431 81 H N -1.294 117.816 119.070 0.066 0.000 2.319 81 H HA -0.143 4.413 4.556 0.000 0.000 0.297 81 H C 2.155 177.577 175.328 0.157 0.000 1.097 81 H CA 1.214 57.323 56.048 0.102 0.000 1.285 81 H CB -0.199 29.682 29.762 0.198 0.000 1.368 81 H HN 0.409 nan 8.280 nan 0.000 0.495 82 S N 0.295 116.244 115.700 0.416 0.000 2.447 82 S HA -0.085 4.385 4.470 0.000 0.000 0.233 82 S C 2.306 177.149 174.600 0.406 0.000 1.006 82 S CA 0.663 59.133 58.200 0.449 0.000 0.957 82 S CB -0.002 63.395 63.200 0.328 0.000 0.773 82 S HN 0.527 nan 8.310 nan 0.000 0.507 83 A N 1.613 124.654 122.820 0.368 0.000 1.911 83 A HA 0.013 4.333 4.320 0.000 0.000 0.212 83 A C 2.362 180.286 177.584 0.567 0.000 1.189 83 A CA 1.529 53.847 52.037 0.468 0.000 0.639 83 A CB -0.798 18.467 19.000 0.442 0.000 0.839 83 A HN 0.576 nan 8.150 nan 0.000 0.449 84 T N -4.071 110.723 114.554 0.401 0.000 3.015 84 T HA 0.152 4.503 4.350 0.000 0.000 0.250 84 T C 1.540 176.434 174.700 0.324 0.000 1.057 84 T CA 1.039 63.393 62.100 0.423 0.000 1.066 84 T CB 0.070 69.072 68.868 0.224 0.000 0.959 84 T HN -0.001 nan 8.240 nan 0.000 0.488 85 V N 2.195 122.207 119.914 0.163 0.000 2.403 85 V HA 0.137 4.257 4.120 0.000 0.000 0.239 85 V C -0.551 175.401 176.094 -0.236 0.000 1.041 85 V CA 0.490 62.753 62.300 -0.061 0.000 1.051 85 V CB -1.035 30.733 31.823 -0.092 0.000 0.704 85 V HN 0.264 nan 8.190 nan 0.000 0.472 86 P HA -0.147 nan 4.420 nan 0.000 0.216 86 P C 1.481 178.646 177.300 -0.225 0.000 1.150 86 P CA 1.949 65.021 63.100 -0.047 0.000 0.843 86 P CB -0.252 31.571 31.700 0.204 0.000 0.787 87 G N -1.172 107.266 108.800 -0.604 0.000 2.920 87 G HA2 -0.063 3.897 3.960 0.000 0.000 0.208 87 G HA3 -0.063 3.897 3.960 0.000 0.000 0.208 87 G C 1.180 175.654 174.900 -0.711 0.000 1.159 87 G CA 0.087 44.592 45.100 -0.991 0.000 0.784 87 G HN 0.288 nan 8.290 nan 0.000 0.535 88 V N 0.408 119.871 119.914 -0.751 0.000 3.542 88 V HA 0.339 4.459 4.120 0.000 0.000 0.296 88 V C 1.905 177.745 176.094 -0.424 0.000 1.364 88 V CA 0.140 62.054 62.300 -0.644 0.000 1.118 88 V CB 0.050 31.362 31.823 -0.851 0.000 0.972 88 V HN 0.351 nan 8.190 nan 0.000 0.430 89 L N -0.148 120.884 121.223 -0.319 0.000 2.509 89 L HA 0.213 4.553 4.340 0.000 0.000 0.222 89 L C 2.377 179.282 176.870 0.059 0.000 1.123 89 L CA 1.035 55.790 54.840 -0.142 0.000 0.856 89 L CB -0.481 41.524 42.059 -0.089 0.000 0.985 89 L HN 0.443 nan 8.230 nan 0.000 0.456 90 G N -0.339 108.470 108.800 0.014 0.000 2.598 90 G HA2 0.213 4.174 3.960 0.000 0.000 0.215 90 G HA3 0.213 4.174 3.960 0.000 0.000 0.215 90 G C 0.587 175.513 174.900 0.042 0.000 1.131 90 G CA 0.926 46.048 45.100 0.037 0.000 0.785 90 G HN 0.494 nan 8.290 nan 0.000 0.539 91 S N -1.867 113.871 115.700 0.063 0.000 2.688 91 S HA 0.549 5.019 4.470 0.000 0.000 0.266 91 S C 0.549 175.150 174.600 0.003 0.000 1.061 91 S CA -0.181 58.028 58.200 0.015 0.000 0.844 91 S CB 0.145 nan 63.200 nan 0.000 1.103 91 S HN -0.017 nan 8.310 nan 0.000 0.471 92 R N -0.251 120.214 120.500 -0.059 0.000 2.148 92 R HA 0.032 4.372 4.340 0.000 0.000 0.223 92 R C -0.165 176.203 176.300 0.113 0.000 1.088 92 R CA 1.492 57.542 56.100 -0.083 0.000 0.985 92 R CB 0.101 30.346 30.300 -0.091 0.000 0.880 92 R HN 0.690 nan 8.270 nan 0.000 0.451 93 D N -1.049 119.396 120.400 0.076 0.000 2.440 93 D HA 0.122 4.762 4.640 0.000 0.000 0.216 93 D C 0.874 177.101 176.300 -0.122 0.000 1.150 93 D CA 0.105 54.101 54.000 -0.008 0.000 0.832 93 D CB 0.997 41.753 40.800 -0.072 0.000 0.992 93 D HN 0.152 nan 8.370 nan 0.000 0.502 94 A N 1.430 124.275 122.820 0.041 0.000 2.019 94 A HA -0.140 4.180 4.320 0.000 0.000 0.219 94 A C 2.012 179.657 177.584 0.100 0.000 1.164 94 A CA 0.669 52.735 52.037 0.048 0.000 0.644 94 A CB -1.027 18.008 19.000 0.058 0.000 0.805 94 A HN 0.526 nan 8.150 nan 0.000 0.449 95 W N 0.643 121.993 121.300 0.085 0.000 2.421 95 W HA -0.126 4.534 4.660 0.000 0.000 0.270 95 W C 1.580 178.235 176.519 0.226 0.000 1.233 95 W CA 0.797 58.252 57.345 0.183 0.000 1.226 95 W CB -0.725 28.793 29.460 0.096 0.000 1.121 95 W HN 0.285 nan 8.180 nan 0.000 0.579 96 R N 0.940 120.887 120.500 -0.922 0.000 2.082 96 R HA -0.144 4.196 4.340 0.000 0.000 0.234 96 R C 2.485 178.579 176.300 -0.344 0.000 1.136 96 R CA 3.099 58.572 56.100 -1.046 0.000 0.935 96 R CB -1.166 28.621 30.300 -0.856 0.000 0.842 96 R HN 0.325 nan 8.270 nan 0.000 0.430 97 T N -2.370 112.083 114.554 -0.168 0.000 3.015 97 T HA 0.039 4.389 4.350 0.000 0.000 0.250 97 T C 0.676 175.400 174.700 0.039 0.000 1.057 97 T CA -0.478 61.590 62.100 -0.054 0.000 1.066 97 T CB -0.230 68.603 68.868 -0.058 0.000 0.959 97 T HN 0.104 nan 8.240 nan 0.000 0.488 98 F N 4.719 124.672 119.950 0.005 0.000 2.604 98 F HA 0.261 4.788 4.527 0.000 0.000 0.393 98 F C 0.166 176.005 175.800 0.065 0.000 1.043 98 F CA -0.461 57.575 58.000 0.061 0.000 1.227 98 F CB -0.033 39.047 39.000 0.134 0.000 1.016 98 F HN 0.522 nan 8.300 nan 0.000 0.556 99 N N 4.079 122.239 118.700 -0.900 0.000 2.396 99 N HA 0.674 5.414 4.740 0.000 0.000 0.275 99 N C -2.106 172.886 175.510 -0.864 0.000 1.218 99 N CA -1.045 51.543 53.050 -0.770 0.000 0.812 99 N CB 2.295 40.589 38.487 -0.321 0.000 1.592 99 N HN 0.551 nan 8.380 nan 0.000 0.480 100 V N 1.508 121.099 119.914 -0.539 0.000 2.891 100 V HA 0.462 4.582 4.120 0.000 0.000 0.304 100 V C -1.059 174.922 176.094 -0.189 0.000 1.171 100 V CA -0.686 61.388 62.300 -0.377 0.000 0.943 100 V CB 0.676 32.439 31.823 -0.100 0.000 1.037 100 V HN 0.794 nan 8.190 nan 0.000 0.427 101 F N 4.807 124.686 119.950 -0.118 0.000 3.056 101 F HA -0.167 4.360 4.527 0.000 0.000 0.266 101 F C 1.660 177.394 175.800 -0.109 0.000 0.957 101 F CA 1.835 59.771 58.000 -0.106 0.000 0.894 101 F CB -1.487 37.456 39.000 -0.096 0.000 0.832 101 F HN 1.361 nan 8.300 nan 0.000 0.745 102 G N -0.689 108.096 108.800 -0.024 0.000 2.168 102 G HA2 -0.304 3.656 3.960 0.000 0.000 0.257 102 G HA3 -0.304 3.656 3.960 0.000 0.000 0.257 102 G C 0.090 174.958 174.900 -0.053 0.000 0.997 102 G CA 0.331 45.406 45.100 -0.042 0.000 0.708 102 G HN 0.575 nan 8.290 nan 0.000 0.520 103 L N -0.030 121.149 121.223 -0.073 0.000 2.334 103 L HA 0.831 5.171 4.340 0.000 0.000 0.272 103 L C 0.323 177.106 176.870 -0.144 0.000 1.020 103 L CA -0.833 53.942 54.840 -0.109 0.000 0.812 103 L CB 2.255 44.235 42.059 -0.131 0.000 1.264 103 L HN 0.098 nan 8.230 nan 0.000 0.439 104 S N -0.495 115.136 115.700 -0.115 0.000 2.564 104 S HA 0.508 4.978 4.470 0.000 0.000 0.274 104 S C -1.523 173.084 174.600 0.012 0.000 1.124 104 S CA -0.688 57.512 58.200 0.000 0.000 0.869 104 S CB 1.307 64.553 63.200 0.076 0.000 1.105 104 S HN 0.369 nan 8.310 nan 0.000 0.472 105 W N 1.479 122.981 121.300 0.336 0.000 2.251 105 W HA 0.242 4.902 4.660 0.000 0.000 0.329 105 W C 1.891 178.602 176.519 0.319 0.000 1.234 105 W CA -0.212 57.306 57.345 0.290 0.000 1.228 105 W CB 0.622 30.255 29.460 0.288 0.000 1.135 105 W HN 0.886 nan 8.180 nan 0.000 0.576 106 T N -2.190 112.632 114.554 0.447 0.000 2.896 106 T HA -0.045 4.305 4.350 0.000 0.000 0.263 106 T C 0.032 174.727 174.700 -0.009 0.000 1.050 106 T CA 1.153 63.414 62.100 0.269 0.000 1.140 106 T CB -0.238 68.732 68.868 0.170 0.000 0.877 106 T HN 0.453 nan 8.240 nan 0.000 0.457 107 D N -0.859 119.301 120.400 -0.399 0.000 2.652 107 D HA 0.300 4.940 4.640 0.000 0.000 0.285 107 D C 0.727 176.026 176.300 -1.667 0.000 1.173 107 D CA -0.932 52.297 54.000 -1.286 0.000 0.981 107 D CB 0.705 41.137 40.800 -0.614 0.000 1.440 107 D HN 0.025 nan 8.370 nan 0.000 0.485 108 E N -0.417 118.687 120.200 -1.826 0.000 2.153 108 E HA -0.089 4.261 4.350 0.000 0.000 0.194 108 E C 1.766 178.034 176.600 -0.553 0.000 0.988 108 E CA 1.098 56.858 56.400 -1.066 0.000 0.811 108 E CB -0.473 28.895 29.700 -0.553 0.000 0.746 108 E HN 0.616 nan 8.360 nan 0.000 0.466 109 G N 0.719 109.238 108.800 -0.469 0.000 2.776 109 G HA2 -0.074 3.886 3.960 0.000 0.000 0.209 109 G HA3 -0.074 3.886 3.960 0.000 0.000 0.209 109 G C 0.729 175.469 174.900 -0.267 0.000 1.145 109 G CA 0.060 44.985 45.100 -0.290 0.000 0.791 109 G HN 0.373 nan 8.290 nan 0.000 0.530 110 L N 0.278 121.250 121.223 -0.418 0.000 3.677 110 L HA -0.225 4.115 4.340 0.000 0.000 0.464 110 L C 1.745 178.716 176.870 0.168 0.000 1.278 110 L CA 0.140 54.641 54.840 -0.566 0.000 0.806 110 L CB -2.165 39.228 42.059 -1.109 0.000 1.610 110 L HN 0.295 nan 8.230 nan 0.000 0.867 111 S N -0.898 114.948 115.700 0.244 0.000 2.421 111 S HA 0.261 4.731 4.470 0.000 0.000 0.224 111 S C 0.863 175.747 174.600 0.473 0.000 1.035 111 S CA 0.932 59.334 58.200 0.337 0.000 0.953 111 S CB 0.374 63.655 63.200 0.134 0.000 0.810 111 S HN 0.749 nan 8.310 nan 0.000 0.497 112 G N 0.157 109.234 108.800 0.463 0.000 2.718 112 G HA2 0.598 4.558 3.960 0.000 0.000 0.295 112 G HA3 0.598 4.558 3.960 0.000 0.000 0.295 112 G C -1.908 173.145 174.900 0.254 0.000 1.421 112 G CA -0.716 44.574 45.100 0.317 0.000 0.902 112 G HN 0.232 nan 8.290 nan 0.000 0.501 113 L N 0.913 122.124 121.223 -0.020 0.000 2.317 113 L HA 0.792 5.132 4.340 0.000 0.000 0.281 113 L C 0.284 177.097 176.870 -0.095 0.000 1.024 113 L CA -0.936 53.774 54.840 -0.216 0.000 0.810 113 L CB 1.877 43.660 42.059 -0.460 0.000 1.240 113 L HN 0.587 nan 8.230 nan 0.000 0.427 114 V N -0.132 119.742 119.914 -0.066 0.000 3.182 114 V HA 0.850 4.970 4.120 0.000 0.000 0.308 114 V C -0.093 175.982 176.094 -0.033 0.000 1.240 114 V CA -1.172 61.115 62.300 -0.023 0.000 1.063 114 V CB 1.519 33.360 31.823 0.029 0.000 1.076 114 V HN 0.767 nan 8.190 nan 0.000 0.446 115 A N 0.716 123.525 122.820 -0.018 0.000 2.511 115 A HA 0.737 5.057 4.320 0.000 0.000 0.242 115 A C 0.739 178.314 177.584 -0.016 0.000 1.069 115 A CA 0.440 52.464 52.037 -0.022 0.000 0.763 115 A CB -0.261 18.730 19.000 -0.015 0.000 1.001 115 A HN 2.248 nan 8.150 nan 0.000 0.498 116 A N 1.805 124.605 122.820 -0.033 0.000 2.310 116 A HA 0.453 4.773 4.320 0.000 0.000 0.260 116 A C 0.500 178.069 177.584 -0.025 0.000 1.112 116 A CA -0.149 51.867 52.037 -0.035 0.000 0.804 116 A CB 0.092 19.049 19.000 -0.073 0.000 1.081 116 A HN 0.899 nan 8.150 nan 0.000 0.499 117 Q N -0.330 119.454 119.800 -0.025 0.000 2.261 117 Q HA 0.334 4.674 4.340 0.000 0.000 0.252 117 Q C -1.431 174.551 176.000 -0.031 0.000 0.915 117 Q CA -0.116 55.674 55.803 -0.021 0.000 0.915 117 Q CB 0.628 29.356 28.738 -0.018 0.000 1.204 117 Q HN 0.710 nan 8.270 nan 0.000 0.421 118 D N 4.850 125.234 120.400 -0.025 0.000 2.256 118 D HA 0.303 4.943 4.640 0.000 0.000 0.240 118 D C -2.085 174.202 176.300 -0.022 0.000 1.062 118 D CA -1.157 52.827 54.000 -0.027 0.000 0.832 118 D CB 0.976 41.761 40.800 -0.024 0.000 1.135 118 D HN 0.367 nan 8.370 nan 0.000 0.484 119 P HA 0.196 nan 4.420 nan 0.000 0.272 119 P C -2.695 174.584 177.300 -0.036 0.000 1.223 119 P CA -1.278 61.804 63.100 -0.030 0.000 0.784 119 P CB -0.099 31.584 31.700 -0.028 0.000 0.923 120 P HA 0.145 nan 4.420 nan 0.000 0.276 120 P C -1.981 175.291 177.300 -0.048 0.000 1.235 120 P CA -1.267 61.800 63.100 -0.055 0.000 0.772 120 P CB 0.096 31.749 31.700 -0.078 0.000 0.871 121 P HA -0.114 nan 4.420 nan 0.000 0.215 121 P C 0.519 177.794 177.300 -0.042 0.000 1.157 121 P CA 1.608 64.684 63.100 -0.040 0.000 0.874 121 P CB -0.035 31.640 31.700 -0.040 0.000 0.790 122 A N -0.809 121.982 122.820 -0.049 0.000 2.282 122 A HA 0.659 4.979 4.320 0.000 0.000 0.319 122 A C -0.026 177.524 177.584 -0.057 0.000 1.121 122 A CA -0.359 51.652 52.037 -0.043 0.000 0.836 122 A CB 0.427 19.408 19.000 -0.031 0.000 1.146 122 A HN 0.177 nan 8.150 nan 0.000 0.494 123 A N 2.718 125.513 122.820 -0.042 0.000 2.520 123 A HA 0.519 4.839 4.320 0.000 0.000 0.245 123 A C -1.943 175.592 177.584 -0.082 0.000 1.072 123 A CA -0.916 51.089 52.037 -0.053 0.000 0.761 123 A CB -0.736 18.246 19.000 -0.030 0.000 1.004 123 A HN 0.649 nan 8.150 nan 0.000 0.499 124 P HA -0.041 nan 4.420 nan 0.000 0.267 124 P C -0.616 176.600 177.300 -0.140 0.000 1.200 124 P CA 0.271 63.252 63.100 -0.197 0.000 0.772 124 P CB 0.226 31.788 31.700 -0.231 0.000 0.855 125 Y N 2.138 122.243 120.300 -0.324 0.000 2.411 125 Y HA 0.081 4.631 4.550 0.000 0.000 0.333 125 Y C 0.401 176.209 175.900 -0.154 0.000 1.186 125 Y CA 0.197 58.210 58.100 -0.145 0.000 1.381 125 Y CB 0.667 39.140 38.460 0.022 0.000 1.273 125 Y HN 0.291 nan 8.280 nan 0.000 0.546 126 Q N 8.009 127.366 119.800 -0.739 0.000 2.400 126 Q HA 0.304 4.644 4.340 0.000 0.000 0.255 126 Q C -2.415 172.997 176.000 -0.981 0.000 1.008 126 Q CA -1.967 53.432 55.803 -0.674 0.000 0.841 126 Q CB 1.273 29.830 28.738 -0.301 0.000 1.220 126 Q HN 0.574 nan 8.270 nan 0.000 0.474 127 P HA -0.011 nan 4.420 nan 0.000 0.266 127 P C -0.961 176.414 177.300 0.124 0.000 1.195 127 P CA 0.211 63.168 63.100 -0.239 0.000 0.768 127 P CB 0.641 32.377 31.700 0.061 0.000 0.838 128 A N 2.410 125.341 122.820 0.186 0.000 2.295 128 A HA 0.513 4.833 4.320 0.000 0.000 0.318 128 A C 0.234 177.797 177.584 -0.035 0.000 1.134 128 A CA -0.341 51.770 52.037 0.123 0.000 0.827 128 A CB 0.489 19.536 19.000 0.079 0.000 1.136 128 A HN 0.448 nan 8.150 nan 0.000 0.493 129 S N 1.223 116.622 115.700 -0.503 0.000 2.475 129 S HA 0.479 4.949 4.470 0.000 0.000 0.281 129 S C 0.544 174.834 174.600 -0.517 0.000 1.198 129 S CA 0.487 58.160 58.200 -0.879 0.000 1.063 129 S CB 0.140 62.407 63.200 -1.555 0.000 0.972 129 S HN 2.462 nan 8.310 nan 0.000 0.486 130 A N 2.848 125.314 122.820 -0.590 0.000 2.667 130 A HA -0.147 4.173 4.320 0.000 0.000 0.298 130 A C -0.006 177.198 177.584 -0.634 0.000 1.483 130 A CA 0.957 52.512 52.037 -0.803 0.000 0.738 130 A CB -2.138 16.661 19.000 -0.334 0.000 1.067 130 A HN 0.836 nan 8.150 nan 0.000 0.451 131 Q N -1.158 118.262 119.800 -0.634 0.000 2.353 131 Q HA 0.647 4.987 4.340 0.000 0.000 0.268 131 Q C -0.570 175.337 176.000 -0.154 0.000 1.045 131 Q CA -0.298 55.380 55.803 -0.207 0.000 0.811 131 Q CB 0.828 29.541 28.738 -0.041 0.000 1.305 131 Q HN 0.547 nan 8.270 nan 0.000 0.447 132 W N 1.545 122.948 121.300 0.171 0.000 2.272 132 W HA 0.526 5.187 4.660 0.000 0.000 0.318 132 W C 0.055 176.692 176.519 0.197 0.000 1.255 132 W CA -0.101 57.367 57.345 0.205 0.000 1.200 132 W CB 1.312 30.872 29.460 0.166 0.000 1.170 132 W HN 0.387 nan 8.180 nan 0.000 0.549 133 S N 1.713 117.741 115.700 0.546 0.000 2.542 133 S HA 0.154 4.624 4.470 0.000 0.000 0.293 133 S C -1.350 173.500 174.600 0.418 0.000 1.089 133 S CA -0.778 57.681 58.200 0.432 0.000 0.961 133 S CB 1.610 65.057 63.200 0.412 0.000 1.062 133 S HN 0.380 nan 8.310 nan 0.000 0.483 134 D N 1.977 122.556 120.400 0.299 0.000 2.373 134 D HA 0.290 4.930 4.640 0.000 0.000 0.227 134 D C 0.681 177.134 176.300 0.255 0.000 1.091 134 D CA -0.424 53.728 54.000 0.253 0.000 0.840 134 D CB 0.764 41.669 40.800 0.176 0.000 1.060 134 D HN 0.401 nan 8.370 nan 0.000 0.502 135 L N 3.317 124.712 121.223 0.287 0.000 2.395 135 L HA 0.015 4.355 4.340 0.000 0.000 0.218 135 L C 2.001 179.064 176.870 0.321 0.000 1.130 135 L CA 0.366 55.398 54.840 0.319 0.000 0.826 135 L CB 0.015 42.227 42.059 0.254 0.000 0.941 135 L HN 0.432 nan 8.230 nan 0.000 0.451 136 L N -0.343 121.002 121.223 0.203 0.000 2.610 136 L HA -0.042 4.298 4.340 0.000 0.000 0.232 136 L C 1.709 178.667 176.870 0.146 0.000 1.149 136 L CA -0.006 54.926 54.840 0.154 0.000 0.872 136 L CB -0.498 41.621 42.059 0.100 0.000 0.992 136 L HN 0.293 nan 8.230 nan 0.000 0.447 137 N N -0.338 118.459 118.700 0.163 0.000 2.364 137 N HA -0.176 4.564 4.740 0.000 0.000 0.183 137 N C 0.349 175.941 175.510 0.137 0.000 1.022 137 N CA 0.690 53.816 53.050 0.127 0.000 0.883 137 N CB -0.135 38.426 38.487 0.123 0.000 0.965 137 N HN 0.196 nan 8.380 nan 0.000 0.438 138 Y N 2.198 122.492 120.300 -0.010 0.000 2.531 138 Y HA 0.176 4.726 4.550 0.000 0.000 0.347 138 Y C -1.508 174.316 175.900 -0.127 0.000 1.024 138 Y CA -2.671 55.337 58.100 -0.154 0.000 1.306 138 Y CB 0.912 39.147 38.460 -0.375 0.000 1.149 138 Y HN 0.010 nan 8.280 nan 0.000 0.527 139 P HA -0.273 nan 4.420 nan 0.000 0.216 139 P C 1.526 178.620 177.300 -0.343 0.000 1.154 139 P CA 1.985 64.907 63.100 -0.297 0.000 0.865 139 P CB 0.157 31.677 31.700 -0.300 0.000 0.789 140 R N -1.602 118.514 120.500 -0.640 0.000 2.115 140 R HA -0.121 4.219 4.340 0.000 0.000 0.230 140 R C 1.788 178.005 176.300 -0.138 0.000 1.111 140 R CA 1.217 57.050 56.100 -0.445 0.000 0.976 140 R CB -0.402 29.526 30.300 -0.620 0.000 0.870 140 R HN 0.207 nan 8.270 nan 0.000 0.445 141 W N 0.057 121.239 121.300 -0.197 0.000 2.523 141 W HA 0.215 4.875 4.660 0.000 0.000 0.278 141 W C 2.161 178.574 176.519 -0.176 0.000 1.236 141 W CA 0.361 57.614 57.345 -0.153 0.000 1.306 141 W CB -0.744 28.666 29.460 -0.083 0.000 1.101 141 W HN 0.201 nan 8.180 nan 0.000 0.577 142 A N 1.036 123.900 122.820 0.073 0.000 1.908 142 A HA -0.247 4.073 4.320 0.000 0.000 0.218 142 A C 1.702 179.269 177.584 -0.029 0.000 1.181 142 A CA 2.211 54.249 52.037 0.002 0.000 0.627 142 A CB -0.945 18.049 19.000 -0.010 0.000 0.818 142 A HN 0.465 nan 8.150 nan 0.000 0.445 143 N N -1.643 117.031 118.700 -0.044 0.000 2.415 143 N HA 0.091 4.831 4.740 0.000 0.000 0.174 143 N C 0.337 175.818 175.510 -0.049 0.000 1.048 143 N CA 0.111 53.130 53.050 -0.052 0.000 0.895 143 N CB 0.281 38.727 38.487 -0.068 0.000 1.036 143 N HN 0.224 nan 8.380 nan 0.000 0.449 144 R N 0.893 121.372 120.500 -0.036 0.000 2.664 144 R HA 0.268 4.608 4.340 0.000 0.000 0.281 144 R C 0.268 176.540 176.300 -0.047 0.000 1.383 144 R CA -0.296 55.783 56.100 -0.036 0.000 1.563 144 R CB 0.959 31.242 30.300 -0.028 0.000 1.131 144 R HN 0.006 nan 8.270 nan 0.000 0.599 145 R N 1.354 121.801 120.500 -0.088 0.000 2.115 145 R HA 0.007 4.347 4.340 0.000 0.000 0.226 145 R C 1.575 177.756 176.300 -0.199 0.000 1.100 145 R CA 1.537 57.540 56.100 -0.161 0.000 0.980 145 R CB 0.108 30.332 30.300 -0.126 0.000 0.875 145 R HN 0.330 nan 8.270 nan 0.000 0.445 146 R N 0.065 120.484 120.500 -0.134 0.000 2.152 146 R HA -0.083 4.257 4.340 0.000 0.000 0.232 146 R C 1.929 178.125 176.300 -0.174 0.000 1.117 146 R CA 1.477 57.499 56.100 -0.131 0.000 0.981 146 R CB -0.139 30.110 30.300 -0.085 0.000 0.870 146 R HN 0.415 nan 8.270 nan 0.000 0.451 147 E N 0.624 120.724 120.200 -0.166 0.000 2.031 147 E HA -0.199 4.151 4.350 0.000 0.000 0.193 147 E C 1.913 178.236 176.600 -0.462 0.000 0.994 147 E CA 0.880 57.164 56.400 -0.192 0.000 0.800 147 E CB -0.112 29.585 29.700 -0.004 0.000 0.752 147 E HN 0.064 nan 8.360 nan 0.000 0.447 148 L N 1.689 122.476 121.223 -0.728 0.000 2.013 148 L HA -0.261 4.079 4.340 0.000 0.000 0.212 148 L C 2.112 178.571 176.870 -0.686 0.000 1.073 148 L CA 1.856 55.985 54.840 -1.185 0.000 0.753 148 L CB -0.572 40.767 42.059 -1.199 0.000 0.890 148 L HN 0.109 nan 8.230 nan 0.000 0.432 149 Q N -1.173 118.362 119.800 -0.441 0.000 2.226 149 Q HA -0.162 4.178 4.340 0.000 0.000 0.204 149 Q C 2.178 178.097 176.000 -0.134 0.000 0.975 149 Q CA 1.729 57.415 55.803 -0.195 0.000 0.866 149 Q CB -0.143 28.523 28.738 -0.120 0.000 0.915 149 Q HN 0.776 nan 8.270 nan 0.000 0.440 150 S N 0.238 115.811 115.700 -0.211 0.000 2.425 150 S HA -0.019 4.451 4.470 0.000 0.000 0.225 150 S C 1.599 176.076 174.600 -0.205 0.000 1.024 150 S CA 0.440 58.537 58.200 -0.170 0.000 0.951 150 S CB 0.040 63.139 63.200 -0.168 0.000 0.796 150 S HN 0.213 nan 8.310 nan 0.000 0.498 151 K N -0.349 119.822 120.400 -0.382 0.000 2.365 151 K HA 0.119 4.439 4.320 0.000 0.000 0.197 151 K C 1.646 178.124 176.600 -0.204 0.000 1.042 151 K CA 0.502 56.510 56.287 -0.466 0.000 0.987 151 K CB -0.245 31.606 32.500 -1.082 0.000 0.779 151 K HN 0.355 nan 8.250 nan 0.000 0.484 152 Y N 2.253 122.393 120.300 -0.266 0.000 2.224 152 Y HA -0.111 4.439 4.550 0.000 0.000 0.289 152 Y C -1.154 174.761 175.900 0.025 0.000 1.146 152 Y CA 0.740 58.780 58.100 -0.100 0.000 1.182 152 Y CB -0.808 37.658 38.460 0.011 0.000 0.983 152 Y HN -0.003 nan 8.280 nan 0.000 0.524 153 P HA -0.226 nan 4.420 nan 0.000 0.215 153 P C 1.782 179.054 177.300 -0.046 0.000 1.157 153 P CA 1.502 64.568 63.100 -0.056 0.000 0.874 153 P CB -0.077 31.625 31.700 0.003 0.000 0.790 154 L N -1.198 120.036 121.223 0.019 0.000 2.046 154 L HA -0.120 4.220 4.340 0.000 0.000 0.208 154 L C 2.243 179.164 176.870 0.086 0.000 1.077 154 L CA 1.743 56.651 54.840 0.113 0.000 0.747 154 L CB -1.429 40.750 42.059 0.200 0.000 0.896 154 L HN -0.074 nan 8.230 nan 0.000 0.432 155 L N -1.799 119.397 121.223 -0.045 0.000 2.093 155 L HA -0.186 4.154 4.340 0.000 0.000 0.208 155 L C 2.364 179.284 176.870 0.084 0.000 1.085 155 L CA 0.489 55.362 54.840 0.056 0.000 0.755 155 L CB -0.517 41.561 42.059 0.032 0.000 0.904 155 L HN 0.285 nan 8.230 nan 0.000 0.435 156 L N 0.338 121.376 121.223 -0.309 0.000 2.056 156 L HA -0.190 4.150 4.340 0.000 0.000 0.207 156 L C 2.710 179.587 176.870 0.012 0.000 1.078 156 L CA 1.631 56.328 54.840 -0.237 0.000 0.749 156 L CB -0.660 41.145 42.059 -0.424 0.000 0.901 156 L HN 0.141 nan 8.230 nan 0.000 0.433 157 R N -0.970 119.557 120.500 0.046 0.000 2.094 157 R HA -0.188 4.152 4.340 0.000 0.000 0.239 157 R C 2.255 178.635 176.300 0.133 0.000 1.137 157 R CA 2.035 58.198 56.100 0.106 0.000 0.943 157 R CB -0.433 29.939 30.300 0.120 0.000 0.850 157 R HN 0.404 nan 8.270 nan 0.000 0.433 158 S N -0.337 115.486 115.700 0.205 0.000 2.359 158 S HA -0.161 4.309 4.470 0.000 0.000 0.224 158 S C 1.885 176.518 174.600 0.054 0.000 1.035 158 S CA 1.879 60.197 58.200 0.197 0.000 1.018 158 S CB -0.413 63.055 63.200 0.447 0.000 0.876 158 S HN 0.519 nan 8.310 nan 0.000 0.448 159 T N 2.608 117.158 114.554 -0.006 0.000 2.720 159 T HA -0.023 4.327 4.350 0.000 0.000 0.268 159 T C 1.703 176.410 174.700 0.013 0.000 1.037 159 T CA 1.088 63.111 62.100 -0.130 0.000 1.144 159 T CB -0.396 68.427 68.868 -0.076 0.000 0.864 159 T HN 0.260 nan 8.240 nan 0.000 0.444 160 L N 0.054 121.337 121.223 0.099 0.000 2.156 160 L HA 0.021 4.361 4.340 0.000 0.000 0.208 160 L C 2.352 179.238 176.870 0.028 0.000 1.095 160 L CA 0.504 55.415 54.840 0.118 0.000 0.770 160 L CB -0.372 41.784 42.059 0.161 0.000 0.914 160 L HN 0.220 nan 8.230 nan 0.000 0.439 161 L N -0.875 120.369 121.223 0.036 0.000 2.072 161 L HA -0.107 4.233 4.340 0.000 0.000 0.205 161 L C 2.545 179.444 176.870 0.049 0.000 1.079 161 L CA 1.638 56.488 54.840 0.017 0.000 0.752 161 L CB -0.333 41.769 42.059 0.071 0.000 0.906 161 L HN 0.045 nan 8.230 nan 0.000 0.436 162 S N -0.332 115.414 115.700 0.076 0.000 2.383 162 S HA -0.074 4.396 4.470 0.000 0.000 0.227 162 S C 2.055 176.772 174.600 0.195 0.000 1.026 162 S CA 0.966 59.234 58.200 0.114 0.000 0.981 162 S CB -0.448 62.756 63.200 0.006 0.000 0.818 162 S HN 0.621 nan 8.310 nan 0.000 0.472 163 A N 1.426 124.308 122.820 0.103 0.000 1.969 163 A HA 0.121 4.441 4.320 0.000 0.000 0.218 163 A C 1.041 178.554 177.584 -0.117 0.000 1.169 163 A CA 0.835 52.812 52.037 -0.099 0.000 0.635 163 A CB -0.325 18.609 19.000 -0.109 0.000 0.810 163 A HN 0.318 nan 8.150 nan 0.000 0.445 164 M N -0.286 119.246 119.600 -0.113 0.000 2.245 164 M HA 0.139 4.619 4.480 0.000 0.000 0.344 164 M C 1.325 177.579 176.300 -0.076 0.000 1.170 164 M CA 0.088 55.305 55.300 -0.140 0.000 1.135 164 M CB 0.394 32.902 32.600 -0.152 0.000 1.574 164 M HN 0.425 nan 8.290 nan 0.000 0.452 165 R N 1.417 121.869 120.500 -0.080 0.000 2.090 165 R HA 0.059 4.399 4.340 0.000 0.000 0.228 165 R C 0.772 177.052 176.300 -0.033 0.000 1.110 165 R CA 1.501 57.576 56.100 -0.041 0.000 0.973 165 R CB 0.360 30.635 30.300 -0.042 0.000 0.869 165 R HN 0.818 nan 8.270 nan 0.000 0.440 166 A N -0.691 122.083 122.820 -0.076 0.000 3.426 166 A HA 0.565 4.885 4.320 0.000 0.000 0.185 166 A C 0.277 177.730 177.584 -0.218 0.000 1.057 166 A CA -0.011 51.975 52.037 -0.085 0.000 1.261 166 A CB -0.592 18.347 19.000 -0.102 0.000 1.676 166 A HN 0.333 nan 8.150 nan 0.000 0.658 167 G N -0.147 108.404 108.800 -0.415 0.000 2.616 167 G HA2 0.505 4.465 3.960 0.000 0.000 0.268 167 G HA3 0.505 4.465 3.960 0.000 0.000 0.268 167 G C -2.550 171.943 174.900 -0.678 0.000 1.213 167 G CA -1.063 43.382 45.100 -1.091 0.000 0.926 167 G HN 0.449 nan 8.290 nan 0.000 0.523 168 P HA 0.107 nan 4.420 nan 0.000 0.269 168 P C -0.136 177.236 177.300 0.121 0.000 1.209 168 P CA -0.149 62.809 63.100 -0.237 0.000 0.776 168 P CB 1.269 32.857 31.700 -0.187 0.000 0.876 169 V N 4.222 124.194 119.914 0.098 0.000 2.644 169 V HA 0.316 4.436 4.120 0.000 0.000 0.295 169 V C -0.003 176.205 176.094 0.190 0.000 1.053 169 V CA -0.720 61.694 62.300 0.191 0.000 0.987 169 V CB 0.690 32.606 31.823 0.155 0.000 1.006 169 V HN 0.284 nan 8.190 nan 0.000 0.472 170 L N 5.791 127.125 121.223 0.184 0.000 2.334 170 L HA 0.460 4.800 4.340 0.000 0.000 0.276 170 L C -1.021 176.027 176.870 0.297 0.000 1.014 170 L CA -0.755 54.153 54.840 0.113 0.000 0.815 170 L CB 1.652 43.620 42.059 -0.150 0.000 1.268 170 L HN 0.682 nan 8.230 nan 0.000 0.428 171 Y N 2.800 123.225 120.300 0.208 0.000 2.477 171 Y HA 0.413 4.963 4.550 0.000 0.000 0.349 171 Y C -0.550 175.438 175.900 0.146 0.000 0.977 171 Y CA -0.535 57.716 58.100 0.252 0.000 1.214 171 Y CB 0.887 39.542 38.460 0.326 0.000 1.124 171 Y HN 0.226 nan 8.280 nan 0.000 0.521 172 V N 6.863 126.692 119.914 -0.141 0.000 2.313 172 V HA 0.317 4.437 4.120 0.000 0.000 0.278 172 V C -0.525 175.663 176.094 0.158 0.000 1.017 172 V CA -0.739 61.579 62.300 0.029 0.000 0.823 172 V CB 1.157 32.947 31.823 -0.055 0.000 1.010 172 V HN 0.742 nan 8.190 nan 0.000 0.443 173 E N 3.240 123.678 120.200 0.396 0.000 2.246 173 E HA 0.680 5.030 4.350 0.000 0.000 0.266 173 E C -0.632 176.238 176.600 0.450 0.000 0.880 173 E CA -0.449 56.236 56.400 0.475 0.000 0.762 173 E CB 2.091 32.172 29.700 0.635 0.000 1.180 173 E HN 0.795 nan 8.360 nan 0.000 0.416 174 T N 0.725 115.456 114.554 0.295 0.000 2.907 174 T HA 0.802 5.152 4.350 0.000 0.000 0.292 174 T C -1.016 173.843 174.700 0.266 0.000 1.043 174 T CA -0.830 61.355 62.100 0.142 0.000 1.003 174 T CB 0.779 69.688 68.868 0.069 0.000 1.084 174 T HN 0.562 nan 8.240 nan 0.000 0.483 175 W N -0.395 120.940 121.300 0.059 0.000 3.137 175 W HA 0.690 5.350 4.660 0.000 0.000 0.324 175 W C -3.460 173.072 176.519 0.022 0.000 1.253 175 W CA -2.707 54.638 57.345 -0.001 0.000 1.183 175 W CB -0.281 29.181 29.460 0.002 0.000 1.424 175 W HN 0.556 nan 8.180 nan 0.000 0.566 176 P HA -0.057 nan 4.420 nan 0.000 0.265 176 P C 0.372 177.732 177.300 0.100 0.000 1.187 176 P CA 0.421 63.573 63.100 0.086 0.000 0.766 176 P CB 0.491 32.242 31.700 0.086 0.000 0.820 177 N N 4.208 122.928 118.700 0.034 0.000 2.953 177 N HA -0.253 4.487 4.740 0.000 0.000 0.293 177 N C 0.671 176.179 175.510 -0.003 0.000 1.029 177 N CA 0.864 53.923 53.050 0.015 0.000 0.860 177 N CB -0.644 37.876 38.487 0.055 0.000 0.940 177 N HN 0.554 nan 8.380 nan 0.000 0.610 178 M N -1.167 118.259 119.600 -0.289 0.000 2.229 178 M HA 0.032 4.512 4.480 0.000 0.000 0.264 178 M C 0.707 176.930 176.300 -0.128 0.000 1.063 178 M CA 1.372 56.298 55.300 -0.623 0.000 1.114 178 M CB -0.002 31.617 32.600 -1.634 0.000 1.387 178 M HN 0.188 nan 8.290 nan 0.000 0.420 179 I N 2.860 123.388 120.570 -0.070 0.000 2.395 179 I HA 0.257 4.427 4.170 0.000 0.000 0.282 179 I C -0.334 175.875 176.117 0.153 0.000 1.107 179 I CA -0.593 60.747 61.300 0.067 0.000 1.210 179 I CB 0.155 38.116 38.000 -0.066 0.000 1.456 179 I HN 0.340 nan 8.210 nan 0.000 0.504 180 S N 2.593 118.409 115.700 0.192 0.000 2.627 180 S HA 0.908 5.378 4.470 0.000 0.000 0.283 180 S C 0.320 175.032 174.600 0.187 0.000 1.127 180 S CA -0.140 58.166 58.200 0.176 0.000 0.863 180 S CB 2.125 65.413 63.200 0.146 0.000 1.121 180 S HN 0.811 nan 8.310 nan 0.000 0.479 181 G N 2.443 111.337 108.800 0.156 0.000 2.622 181 G HA2 -0.380 3.580 3.960 0.000 0.000 0.307 181 G HA3 -0.380 3.580 3.960 0.000 0.000 0.307 181 G C 0.718 175.711 174.900 0.156 0.000 1.226 181 G CA 0.719 45.901 45.100 0.136 0.000 0.997 181 G HN 0.983 nan 8.290 nan 0.000 0.551 182 R N -0.210 120.374 120.500 0.141 0.000 2.115 182 R HA 0.067 4.407 4.340 0.000 0.000 0.230 182 R C 2.769 179.196 176.300 0.211 0.000 1.111 182 R CA 1.915 58.100 56.100 0.142 0.000 0.976 182 R CB -0.350 30.005 30.300 0.091 0.000 0.870 182 R HN 0.492 nan 8.270 nan 0.000 0.445 183 L N 0.500 121.871 121.223 0.247 0.000 2.027 183 L HA 0.004 4.344 4.340 0.000 0.000 0.206 183 L C 2.252 179.427 176.870 0.507 0.000 1.074 183 L CA 2.094 57.158 54.840 0.373 0.000 0.745 183 L CB -0.714 41.570 42.059 0.374 0.000 0.898 183 L HN 0.157 nan 8.230 nan 0.000 0.433 184 A N -0.652 122.400 122.820 0.387 0.000 1.948 184 A HA -0.262 4.059 4.320 0.000 0.000 0.220 184 A C 1.947 179.722 177.584 0.320 0.000 1.177 184 A CA 2.082 54.342 52.037 0.373 0.000 0.636 184 A CB -0.915 18.273 19.000 0.314 0.000 0.815 184 A HN 0.569 nan 8.150 nan 0.000 0.449 185 D N -1.614 118.939 120.400 0.255 0.000 2.117 185 D HA -0.159 4.481 4.640 0.000 0.000 0.198 185 D C 1.528 177.935 176.300 0.178 0.000 0.982 185 D CA 1.321 55.434 54.000 0.187 0.000 0.828 185 D CB -0.482 40.408 40.800 0.151 0.000 0.967 185 D HN 0.786 nan 8.370 nan 0.000 0.464 186 W N 0.740 122.070 121.300 0.051 0.000 2.358 186 W HA -0.175 4.485 4.660 0.000 0.000 0.303 186 W C 1.870 178.320 176.519 -0.116 0.000 1.208 186 W CA 1.140 58.462 57.345 -0.037 0.000 1.274 186 W CB -0.724 28.689 29.460 -0.078 0.000 1.138 186 W HN -0.147 nan 8.180 nan 0.000 0.515 187 F N 0.350 120.064 119.950 -0.393 0.000 2.095 187 F HA -0.288 4.239 4.527 0.000 0.000 0.298 187 F C 2.552 177.979 175.800 -0.622 0.000 1.104 187 F CA 2.326 59.790 58.000 -0.894 0.000 1.232 187 F CB -1.161 37.067 39.000 -1.286 0.000 0.987 187 F HN -0.079 nan 8.300 nan 0.000 0.475 188 M N 0.409 119.998 119.600 -0.019 0.000 2.213 188 M HA -0.175 4.305 4.480 0.000 0.000 0.263 188 M C 2.396 178.709 176.300 0.021 0.000 1.062 188 M CA 1.858 57.259 55.300 0.168 0.000 1.105 188 M CB -0.754 31.919 32.600 0.121 0.000 1.385 188 M HN 0.115 nan 8.290 nan 0.000 0.417 189 S N -0.920 114.720 115.700 -0.101 0.000 2.500 189 S HA -0.129 4.341 4.470 0.000 0.000 0.239 189 S C 1.534 176.044 174.600 -0.149 0.000 0.989 189 S CA 1.052 59.184 58.200 -0.113 0.000 0.951 189 S CB -0.478 62.651 63.200 -0.118 0.000 0.759 189 S HN 0.715 nan 8.310 nan 0.000 0.523 190 Q N -0.721 118.946 119.800 -0.223 0.000 2.189 190 Q HA 0.213 4.553 4.340 0.000 0.000 0.223 190 Q C -0.479 175.467 176.000 -0.089 0.000 0.828 190 Q CA -0.468 55.193 55.803 -0.236 0.000 0.967 190 Q CB 0.161 28.591 28.738 -0.513 0.000 1.139 190 Q HN 0.747 nan 8.270 nan 0.000 0.497 191 Y N 1.950 122.201 120.300 -0.082 0.000 3.032 191 Y HA -0.080 4.470 4.550 0.000 0.000 0.344 191 Y C 1.448 177.314 175.900 -0.058 0.000 1.273 191 Y CA 2.067 60.167 58.100 -0.000 0.000 1.588 191 Y CB 0.214 38.731 38.460 0.095 0.000 1.209 191 Y HN 0.497 nan 8.280 nan 0.000 0.597 192 G N 3.252 111.517 108.800 -0.892 0.000 2.196 192 G HA2 -0.388 3.572 3.960 0.000 0.000 0.268 192 G HA3 -0.388 3.572 3.960 0.000 0.000 0.268 192 G C 0.226 174.903 174.900 -0.372 0.000 0.975 192 G CA 0.337 44.983 45.100 -0.756 0.000 0.648 192 G HN 0.734 nan 8.290 nan 0.000 0.538 193 N N 0.536 119.095 118.700 -0.235 0.000 2.444 193 N HA 0.233 4.973 4.740 0.000 0.000 0.255 193 N C 0.203 175.704 175.510 -0.014 0.000 1.255 193 N CA -0.296 52.697 53.050 -0.096 0.000 0.933 193 N CB 0.316 38.761 38.487 -0.072 0.000 1.143 193 N HN 0.432 nan 8.380 nan 0.000 0.453 194 N N 1.014 119.742 118.700 0.046 0.000 2.499 194 N HA 0.000 4.740 4.740 0.000 0.000 0.281 194 N C 0.809 176.437 175.510 0.198 0.000 1.098 194 N CA -0.244 52.889 53.050 0.140 0.000 0.979 194 N CB 0.559 39.097 38.487 0.086 0.000 1.121 194 N HN 0.372 nan 8.380 nan 0.000 0.466 195 F N 4.581 124.606 119.950 0.124 0.000 2.091 195 F HA -0.222 4.305 4.527 0.000 0.000 0.299 195 F C 1.863 177.589 175.800 -0.123 0.000 1.103 195 F CA 1.493 59.439 58.000 -0.091 0.000 1.228 195 F CB -0.361 38.362 39.000 -0.461 0.000 0.984 195 F HN 0.356 nan 8.300 nan 0.000 0.477 196 V N 0.603 120.374 119.914 -0.239 0.000 2.343 196 V HA -0.300 3.820 4.120 0.000 0.000 0.247 196 V C 2.141 178.080 176.094 -0.258 0.000 1.051 196 V CA 2.214 64.311 62.300 -0.338 0.000 1.036 196 V CB -0.785 30.986 31.823 -0.086 0.000 0.654 196 V HN 0.306 nan 8.190 nan 0.000 0.451 197 D N -0.370 119.955 120.400 -0.126 0.000 2.144 197 D HA -0.145 4.496 4.640 0.000 0.000 0.200 197 D C 2.183 178.424 176.300 -0.099 0.000 0.978 197 D CA 1.316 55.266 54.000 -0.084 0.000 0.833 197 D CB -0.242 40.540 40.800 -0.030 0.000 0.961 197 D HN 0.367 nan 8.370 nan 0.000 0.470 198 M N -0.071 119.462 119.600 -0.111 0.000 2.159 198 M HA -0.161 4.319 4.480 0.000 0.000 0.263 198 M C 2.367 178.594 176.300 -0.123 0.000 1.063 198 M CA 1.022 56.277 55.300 -0.074 0.000 1.110 198 M CB -0.159 32.442 32.600 0.001 0.000 1.374 198 M HN 0.098 nan 8.290 nan 0.000 0.411 199 C N -0.185 118.911 119.300 -0.341 0.000 2.466 199 C HA -0.015 4.445 4.460 0.000 0.000 0.278 199 C C 3.049 177.917 174.990 -0.204 0.000 1.288 199 C CA 0.809 59.618 59.018 -0.348 0.000 1.722 199 C CB -1.276 26.094 27.740 -0.616 0.000 2.017 199 C HN 0.640 nan 8.230 nan 0.000 0.488 200 A N 0.490 123.201 122.820 -0.182 0.000 1.908 200 A HA -0.215 4.105 4.320 0.000 0.000 0.218 200 A C 2.273 179.812 177.584 -0.076 0.000 1.181 200 A CA 1.520 53.491 52.037 -0.110 0.000 0.627 200 A CB -0.560 18.387 19.000 -0.087 0.000 0.818 200 A HN 0.644 nan 8.150 nan 0.000 0.445 201 R N -0.921 119.546 120.500 -0.056 0.000 2.092 201 R HA 0.026 4.366 4.340 0.000 0.000 0.231 201 R C 2.069 178.341 176.300 -0.047 0.000 1.119 201 R CA 1.168 57.253 56.100 -0.026 0.000 0.970 201 R CB -0.381 29.930 30.300 0.018 0.000 0.864 201 R HN 0.538 nan 8.270 nan 0.000 0.440 202 L N -0.201 120.991 121.223 -0.052 0.000 2.083 202 L HA -0.174 4.166 4.340 0.000 0.000 0.209 202 L C 2.246 179.008 176.870 -0.179 0.000 1.083 202 L CA 1.317 56.084 54.840 -0.123 0.000 0.752 202 L CB -0.463 41.537 42.059 -0.099 0.000 0.899 202 L HN 0.253 nan 8.230 nan 0.000 0.433 203 T N -1.112 113.364 114.554 -0.131 0.000 2.622 203 T HA -0.316 4.034 4.350 0.000 0.000 0.266 203 T C 1.745 176.373 174.700 -0.121 0.000 1.047 203 T CA 1.797 63.828 62.100 -0.115 0.000 1.159 203 T CB -0.204 68.616 68.868 -0.080 0.000 0.863 203 T HN 0.248 nan 8.240 nan 0.000 0.422 204 Q N 1.136 120.877 119.800 -0.097 0.000 2.061 204 Q HA -0.117 4.223 4.340 0.000 0.000 0.204 204 Q C 2.432 178.353 176.000 -0.131 0.000 0.984 204 Q CA 2.200 57.953 55.803 -0.084 0.000 0.846 204 Q CB -0.738 27.969 28.738 -0.051 0.000 0.902 204 Q HN 0.452 nan 8.270 nan 0.000 0.421 205 S N -1.511 114.082 115.700 -0.180 0.000 2.419 205 S HA -0.150 4.320 4.470 0.000 0.000 0.235 205 S C 1.623 175.902 174.600 -0.536 0.000 1.019 205 S CA 1.356 59.385 58.200 -0.285 0.000 0.982 205 S CB -0.547 62.490 63.200 -0.271 0.000 0.789 205 S HN 0.650 nan 8.310 nan 0.000 0.490 206 C N 1.333 120.332 119.300 -0.503 0.000 2.626 206 C HA 0.321 4.781 4.460 0.000 0.000 0.266 206 C C 2.625 177.479 174.990 -0.228 0.000 1.317 206 C CA -0.032 58.691 59.018 -0.492 0.000 1.716 206 C CB -1.653 25.864 27.740 -0.371 0.000 1.819 206 C HN 0.602 nan 8.230 nan 0.000 0.578 207 S N 2.565 118.167 115.700 -0.163 0.000 2.456 207 S HA -0.197 4.273 4.470 0.000 0.000 0.232 207 S C 0.573 175.133 174.600 -0.066 0.000 1.046 207 S CA 1.572 59.721 58.200 -0.085 0.000 1.175 207 S CB -0.631 62.535 63.200 -0.057 0.000 1.129 207 S HN 0.792 nan 8.310 nan 0.000 0.420 208 N N 2.046 120.716 118.700 -0.051 0.000 2.406 208 N HA 0.152 4.893 4.740 0.000 0.000 0.269 208 N C 0.794 176.288 175.510 -0.027 0.000 1.210 208 N CA -0.011 53.018 53.050 -0.035 0.000 0.966 208 N CB 0.065 38.541 38.487 -0.018 0.000 1.293 208 N HN 0.153 nan 8.380 nan 0.000 0.491 209 M N 1.589 121.167 119.600 -0.037 0.000 2.706 209 M HA -0.144 4.336 4.480 0.000 0.000 0.266 209 M C -1.120 175.200 176.300 0.034 0.000 1.060 209 M CA 1.245 56.531 55.300 -0.023 0.000 1.070 209 M CB -2.200 30.383 32.600 -0.029 0.000 1.241 209 M HN 0.320 nan 8.290 nan 0.000 0.488 210 P HA -0.108 nan 4.420 nan 0.000 0.110 210 P C -1.139 176.218 177.300 0.096 0.000 0.739 210 P CA 0.539 63.667 63.100 0.046 0.000 1.065 210 P CB -0.812 30.912 31.700 0.040 0.000 1.586 211 V N 2.894 122.847 119.914 0.066 0.000 2.326 211 V HA 0.298 4.418 4.120 0.000 0.000 0.281 211 V C 0.448 176.551 176.094 0.016 0.000 1.015 211 V CA -0.599 61.748 62.300 0.078 0.000 0.823 211 V CB 1.605 33.469 31.823 0.068 0.000 1.009 211 V HN 0.157 nan 8.190 nan 0.000 0.436 212 E N 6.737 126.930 120.200 -0.011 0.000 2.231 212 E HA 0.530 4.880 4.350 0.000 0.000 0.277 212 E C -2.715 173.850 176.600 -0.058 0.000 0.999 212 E CA -2.357 54.020 56.400 -0.040 0.000 0.827 212 E CB 1.658 31.326 29.700 -0.052 0.000 1.101 212 E HN 0.379 nan 8.360 nan 0.000 0.393 213 P HA 0.048 nan 4.420 nan 0.000 0.264 213 P C -0.649 176.588 177.300 -0.105 0.000 1.193 213 P CA 0.516 63.561 63.100 -0.091 0.000 0.763 213 P CB 0.402 32.047 31.700 -0.092 0.000 0.810 214 D N 0.307 120.630 120.400 -0.128 0.000 2.946 214 D HA -0.134 4.507 4.640 0.000 0.000 0.202 214 D C 1.040 177.268 176.300 -0.120 0.000 1.068 214 D CA 1.840 55.751 54.000 -0.149 0.000 1.011 214 D CB -1.497 39.211 40.800 -0.153 0.000 1.105 214 D HN 0.568 nan 8.370 nan 0.000 0.425 215 G N -0.078 108.656 108.800 -0.109 0.000 2.527 215 G HA2 0.054 4.014 3.960 0.000 0.000 0.279 215 G HA3 0.054 4.014 3.960 0.000 0.000 0.279 215 G C 1.166 175.980 174.900 -0.142 0.000 1.374 215 G CA 0.382 45.406 45.100 -0.126 0.000 1.053 215 G HN 0.151 nan 8.290 nan 0.000 0.539 216 N N -1.260 117.303 118.700 -0.227 0.000 2.173 216 N HA -0.088 4.652 4.740 0.000 0.000 0.184 216 N C 2.019 177.385 175.510 -0.240 0.000 1.025 216 N CA 1.137 54.033 53.050 -0.256 0.000 0.852 216 N CB -0.280 37.993 38.487 -0.357 0.000 0.998 216 N HN 0.505 nan 8.380 nan 0.000 0.427 217 Y N 1.796 121.982 120.300 -0.190 0.000 2.165 217 Y HA -0.164 4.386 4.550 0.000 0.000 0.286 217 Y C 2.369 178.159 175.900 -0.184 0.000 1.155 217 Y CA 0.757 58.722 58.100 -0.225 0.000 1.164 217 Y CB -0.991 37.369 38.460 -0.166 0.000 0.978 217 Y HN 0.106 nan 8.280 nan 0.000 0.513 218 D N -0.306 120.105 120.400 0.019 0.000 2.104 218 D HA -0.181 4.459 4.640 0.000 0.000 0.194 218 D C 1.955 178.252 176.300 -0.005 0.000 0.994 218 D CA 1.617 55.603 54.000 -0.023 0.000 0.830 218 D CB -0.127 40.636 40.800 -0.062 0.000 0.959 218 D HN 0.382 nan 8.370 nan 0.000 0.452 219 Q N -0.639 119.159 119.800 -0.004 0.000 2.167 219 Q HA -0.158 4.182 4.340 0.000 0.000 0.202 219 Q C 2.352 178.464 176.000 0.187 0.000 0.970 219 Q CA 0.985 56.864 55.803 0.127 0.000 0.855 219 Q CB -0.013 28.798 28.738 0.123 0.000 0.911 219 Q HN 0.475 nan 8.270 nan 0.000 0.438 220 Q N -0.021 119.742 119.800 -0.063 0.000 2.020 220 Q HA -0.148 4.192 4.340 0.000 0.000 0.202 220 Q C 2.073 178.020 176.000 -0.088 0.000 0.982 220 Q CA 1.528 57.127 55.803 -0.341 0.000 0.838 220 Q CB -0.003 28.182 28.738 -0.922 0.000 0.899 220 Q HN 0.396 nan 8.270 nan 0.000 0.423 221 M N -0.317 119.260 119.600 -0.038 0.000 2.099 221 M HA -0.160 4.320 4.480 0.000 0.000 0.262 221 M C 2.197 178.612 176.300 0.192 0.000 1.067 221 M CA 1.493 56.825 55.300 0.053 0.000 1.124 221 M CB -0.271 32.328 32.600 -0.003 0.000 1.353 221 M HN 0.094 nan 8.290 nan 0.000 0.410 222 R N 0.291 120.928 120.500 0.228 0.000 2.083 222 R HA -0.124 4.217 4.340 0.000 0.000 0.237 222 R C 2.338 178.916 176.300 0.463 0.000 1.137 222 R CA 1.683 58.006 56.100 0.372 0.000 0.951 222 R CB -0.573 29.987 30.300 0.433 0.000 0.851 222 R HN 0.398 nan 8.270 nan 0.000 0.434 223 A N 0.979 124.104 122.820 0.509 0.000 1.929 223 A HA -0.113 4.207 4.320 0.000 0.000 0.216 223 A C 2.035 179.954 177.584 0.558 0.000 1.176 223 A CA 0.761 53.065 52.037 0.445 0.000 0.628 223 A CB -0.353 18.941 19.000 0.490 0.000 0.816 223 A HN 0.210 nan 8.150 nan 0.000 0.444 224 L N 0.252 121.874 121.223 0.665 0.000 2.042 224 L HA -0.129 4.211 4.340 0.000 0.000 0.210 224 L C 2.176 179.392 176.870 0.577 0.000 1.076 224 L CA 1.736 57.010 54.840 0.724 0.000 0.749 224 L CB -0.548 41.846 42.059 0.558 0.000 0.893 224 L HN 0.448 nan 8.230 nan 0.000 0.432 225 I N -0.857 119.969 120.570 0.428 0.000 2.179 225 I HA -0.285 3.885 4.170 0.000 0.000 0.242 225 I C 2.369 178.662 176.117 0.294 0.000 1.088 225 I CA 1.534 63.041 61.300 0.345 0.000 1.357 225 I CB -0.450 37.709 38.000 0.265 0.000 1.051 225 I HN 0.404 nan 8.210 nan 0.000 0.409 226 S N 0.652 116.516 115.700 0.274 0.000 2.446 226 S HA -0.071 4.399 4.470 0.000 0.000 0.225 226 S C 1.892 176.578 174.600 0.143 0.000 1.016 226 S CA 0.237 58.545 58.200 0.179 0.000 0.943 226 S CB -0.596 62.729 63.200 0.208 0.000 0.786 226 S HN 0.291 nan 8.310 nan 0.000 0.508 227 L N 0.991 122.354 121.223 0.234 0.000 2.012 227 L HA 0.045 4.385 4.340 0.000 0.000 0.210 227 L C 2.187 179.233 176.870 0.294 0.000 1.073 227 L CA 1.782 56.779 54.840 0.261 0.000 0.748 227 L CB -0.994 41.270 42.059 0.342 0.000 0.891 227 L HN 0.559 nan 8.230 nan 0.000 0.431 228 W N -0.394 120.927 121.300 0.034 0.000 2.379 228 W HA -0.222 4.438 4.660 0.000 0.000 0.307 228 W C 2.287 178.523 176.519 -0.472 0.000 1.200 228 W CA 1.738 58.793 57.345 -0.483 0.000 1.297 228 W CB -0.492 28.160 29.460 -1.346 0.000 1.140 228 W HN 0.227 nan 8.180 nan 0.000 0.507 229 L N 0.797 121.707 121.223 -0.521 0.000 2.079 229 L HA -0.151 4.189 4.340 0.000 0.000 0.210 229 L C 2.276 178.847 176.870 -0.499 0.000 1.081 229 L CA 1.927 56.303 54.840 -0.773 0.000 0.752 229 L CB -0.882 40.956 42.059 -0.368 0.000 0.896 229 L HN 0.134 nan 8.230 nan 0.000 0.433 230 L N -1.787 119.270 121.223 -0.276 0.000 2.179 230 L HA -0.113 4.227 4.340 0.000 0.000 0.208 230 L C 2.398 179.196 176.870 -0.120 0.000 1.096 230 L CA 0.926 55.672 54.840 -0.158 0.000 0.779 230 L CB -0.495 41.530 42.059 -0.055 0.000 0.922 230 L HN 0.199 nan 8.230 nan 0.000 0.443 231 S N -0.717 114.903 115.700 -0.133 0.000 2.348 231 S HA -0.248 4.222 4.470 0.000 0.000 0.221 231 S C 1.890 176.369 174.600 -0.202 0.000 1.033 231 S CA 1.225 59.406 58.200 -0.032 0.000 1.010 231 S CB -0.551 62.694 63.200 0.076 0.000 0.891 231 S HN 0.376 nan 8.310 nan 0.000 0.442 232 Y N 2.858 122.569 120.300 -0.982 0.000 2.193 232 Y HA -0.173 4.377 4.550 0.000 0.000 0.285 232 Y C 1.896 177.564 175.900 -0.388 0.000 1.166 232 Y CA 1.683 59.199 58.100 -0.973 0.000 1.181 232 Y CB -0.380 37.114 38.460 -1.610 0.000 0.976 232 Y HN 0.390 nan 8.280 nan 0.000 0.520 233 I N -3.033 117.405 120.570 -0.220 0.000 3.684 233 I HA 0.343 4.513 4.170 0.000 0.000 0.304 233 I C 1.646 177.663 176.117 -0.166 0.000 1.278 233 I CA 0.835 62.020 61.300 -0.191 0.000 1.272 233 I CB -0.422 37.495 38.000 -0.138 0.000 1.029 233 I HN 0.267 nan 8.210 nan 0.000 0.458 234 G N 1.215 109.966 108.800 -0.082 0.000 2.179 234 G HA2 -0.290 3.670 3.960 0.000 0.000 0.260 234 G HA3 -0.290 3.670 3.960 0.000 0.000 0.260 234 G C 0.739 175.693 174.900 0.090 0.000 0.977 234 G CA 0.453 45.575 45.100 0.037 0.000 0.641 234 G HN 0.305 nan 8.290 nan 0.000 0.533 235 V N -0.163 119.759 119.914 0.012 0.000 2.379 235 V HA 0.063 4.183 4.120 0.000 0.000 0.245 235 V C 1.737 177.851 176.094 0.034 0.000 1.044 235 V CA 1.848 64.149 62.300 0.002 0.000 1.036 235 V CB 0.204 31.997 31.823 -0.050 0.000 0.664 235 V HN 0.295 nan 8.190 nan 0.000 0.453 236 V N 1.918 121.866 119.914 0.056 0.000 2.439 236 V HA 0.493 4.613 4.120 0.000 0.000 0.282 236 V C -0.151 176.043 176.094 0.167 0.000 1.039 236 V CA -0.075 62.278 62.300 0.088 0.000 0.913 236 V CB 1.262 33.143 31.823 0.096 0.000 0.983 236 V HN 0.894 nan 8.190 nan 0.000 0.460 237 N N 2.280 121.032 118.700 0.086 0.000 3.449 237 N HA 0.135 4.875 4.740 0.000 0.000 0.312 237 N C 0.372 175.575 175.510 -0.511 0.000 1.557 237 N CA -0.758 52.289 53.050 -0.006 0.000 0.864 237 N CB 0.693 39.220 38.487 0.066 0.000 1.799 237 N HN 0.279 nan 8.380 nan 0.000 0.554 238 Q N -0.900 118.381 119.800 -0.866 0.000 2.226 238 Q HA -0.096 4.244 4.340 0.000 0.000 0.204 238 Q C 0.621 176.291 176.000 -0.550 0.000 0.975 238 Q CA 2.046 57.136 55.803 -1.188 0.000 0.866 238 Q CB -0.193 28.074 28.738 -0.786 0.000 0.915 238 Q HN 0.807 nan 8.270 nan 0.000 0.440 239 T N -2.797 111.560 114.554 -0.328 0.000 3.122 239 T HA 0.126 4.476 4.350 0.000 0.000 0.250 239 T C -0.083 174.532 174.700 -0.143 0.000 1.067 239 T CA -0.084 61.899 62.100 -0.195 0.000 0.966 239 T CB 0.131 68.923 68.868 -0.127 0.000 1.002 239 T HN 0.077 nan 8.240 nan 0.000 0.542 240 N N 1.418 120.027 118.700 -0.152 0.000 2.932 240 N HA 0.254 4.994 4.740 0.000 0.000 0.242 240 N C -0.810 174.665 175.510 -0.058 0.000 1.351 240 N CA -0.211 52.790 53.050 -0.081 0.000 0.785 240 N CB 1.387 39.849 38.487 -0.041 0.000 1.501 240 N HN 0.403 nan 8.380 nan 0.000 0.584 241 T N -0.400 114.123 114.554 -0.052 0.000 2.949 241 T HA 0.662 5.012 4.350 0.000 0.000 0.287 241 T C 0.065 174.780 174.700 0.026 0.000 1.034 241 T CA -0.723 61.383 62.100 0.009 0.000 1.018 241 T CB 1.012 69.874 68.868 -0.010 0.000 1.135 241 T HN 0.204 nan 8.240 nan 0.000 0.532 242 I N 2.026 122.636 120.570 0.067 0.000 2.359 242 I HA 0.267 4.437 4.170 0.000 0.000 0.284 242 I C 0.332 176.500 176.117 0.084 0.000 1.018 242 I CA -0.634 60.690 61.300 0.039 0.000 1.173 242 I CB 1.268 39.270 38.000 0.003 0.000 1.326 242 I HN 0.935 nan 8.210 nan 0.000 0.462 243 S N 4.577 120.314 115.700 0.062 0.000 3.533 243 S HA -0.240 4.230 4.470 0.000 0.000 0.347 243 S C 1.267 175.925 174.600 0.097 0.000 1.101 243 S CA 0.893 59.158 58.200 0.108 0.000 1.009 243 S CB -1.254 62.050 63.200 0.173 0.000 0.916 243 S HN 1.300 nan 8.310 nan 0.000 0.496 244 G N -1.102 107.677 108.800 -0.035 0.000 2.241 244 G HA2 -0.291 3.669 3.960 0.000 0.000 0.244 244 G HA3 -0.291 3.669 3.960 0.000 0.000 0.244 244 G C -0.032 174.734 174.900 -0.224 0.000 0.998 244 G CA 0.089 45.011 45.100 -0.297 0.000 0.621 244 G HN 0.614 nan 8.290 nan 0.000 0.519 245 F N 1.021 121.076 119.950 0.175 0.000 2.375 245 F HA 0.724 5.251 4.527 0.000 0.000 0.333 245 F C 0.537 176.445 175.800 0.179 0.000 1.104 245 F CA -0.233 57.854 58.000 0.145 0.000 1.149 245 F CB 1.017 39.971 39.000 -0.077 0.000 1.190 245 F HN 0.398 nan 8.300 nan 0.000 0.533 246 Y N -0.436 119.950 120.300 0.143 0.000 2.624 246 Y HA 0.656 5.206 4.550 0.000 0.000 0.334 246 Y C -2.085 173.825 175.900 0.016 0.000 1.155 246 Y CA -2.668 55.494 58.100 0.103 0.000 1.046 246 Y CB 0.586 39.126 38.460 0.133 0.000 1.316 246 Y HN 0.383 nan 8.280 nan 0.000 0.457 247 F N 1.520 121.655 119.950 0.309 0.000 2.422 247 F HA 0.669 5.196 4.527 0.000 0.000 0.333 247 F C 0.450 176.627 175.800 0.628 0.000 1.095 247 F CA -0.446 57.765 58.000 0.352 0.000 1.038 247 F CB 2.089 41.320 39.000 0.385 0.000 1.156 247 F HN 0.616 nan 8.300 nan 0.000 0.483 248 S N 2.022 118.159 115.700 0.728 0.000 2.538 248 S HA 0.660 5.130 4.470 0.000 0.000 0.288 248 S C -1.115 173.602 174.600 0.196 0.000 1.108 248 S CA -0.435 58.074 58.200 0.515 0.000 0.971 248 S CB 1.542 65.025 63.200 0.473 0.000 1.041 248 S HN 0.588 nan 8.310 nan 0.000 0.483 249 S N 2.658 118.231 115.700 -0.211 0.000 2.538 249 S HA 0.465 4.935 4.470 0.000 0.000 0.288 249 S C 0.401 174.868 174.600 -0.221 0.000 1.108 249 S CA -0.679 57.256 58.200 -0.441 0.000 0.971 249 S CB 1.319 63.810 63.200 -1.183 0.000 1.041 249 S HN 0.772 nan 8.310 nan 0.000 0.483 250 K N 1.076 121.396 120.400 -0.134 0.000 2.062 250 K HA 0.024 4.344 4.320 0.000 0.000 0.205 250 K C 1.104 177.698 176.600 -0.010 0.000 1.051 250 K CA 1.302 57.543 56.287 -0.077 0.000 0.941 250 K CB -0.157 32.316 32.500 -0.045 0.000 0.719 250 K HN 0.773 nan 8.250 nan 0.000 0.440 251 T N -1.162 113.378 114.554 -0.023 0.000 2.936 251 T HA 0.574 4.924 4.350 0.000 0.000 0.282 251 T C -0.698 174.025 174.700 0.039 0.000 1.003 251 T CA -1.007 61.104 62.100 0.018 0.000 1.005 251 T CB 1.805 70.650 68.868 -0.039 0.000 1.097 251 T HN -0.064 nan 8.240 nan 0.000 0.532 252 R N -0.349 120.172 120.500 0.033 0.000 2.531 252 R HA 0.553 4.893 4.340 0.000 0.000 0.293 252 R C 0.334 176.601 176.300 -0.054 0.000 1.124 252 R CA 0.590 56.670 56.100 -0.034 0.000 0.945 252 R CB 0.721 30.904 30.300 -0.196 0.000 1.195 252 R HN 1.476 nan 8.270 nan 0.000 0.433 253 G N 2.841 111.625 108.800 -0.025 0.000 2.131 253 G HA2 -0.250 3.710 3.960 0.000 0.000 0.201 253 G HA3 -0.250 3.710 3.960 0.000 0.000 0.201 253 G C -0.377 174.524 174.900 0.001 0.000 1.000 253 G CA 0.414 45.526 45.100 0.020 0.000 0.680 253 G HN 0.775 nan 8.290 nan 0.000 0.514 254 Q N -2.382 117.289 119.800 -0.214 0.000 2.943 254 Q HA 0.849 5.189 4.340 0.000 0.000 0.328 254 Q C 1.434 176.876 176.000 -0.930 0.000 0.934 254 Q CA 0.095 55.486 55.803 -0.685 0.000 0.782 254 Q CB 0.597 29.139 28.738 -0.327 0.000 1.470 254 Q HN 0.960 nan 8.270 nan 0.000 0.503 255 A N 0.087 122.236 122.820 -1.119 0.000 1.972 255 A HA -0.006 4.314 4.320 0.000 0.000 0.219 255 A C 1.688 179.128 177.584 -0.240 0.000 1.169 255 A CA 1.266 52.919 52.037 -0.639 0.000 0.635 255 A CB -0.699 18.134 19.000 -0.279 0.000 0.810 255 A HN 0.569 nan 8.150 nan 0.000 0.446 256 L N -0.259 120.848 121.223 -0.194 0.000 2.592 256 L HA 0.095 4.435 4.340 0.000 0.000 0.227 256 L C -0.381 176.444 176.870 -0.075 0.000 1.127 256 L CA -0.467 54.320 54.840 -0.090 0.000 0.884 256 L CB -0.268 41.752 42.059 -0.065 0.000 1.065 256 L HN 0.117 nan 8.230 nan 0.000 0.457 257 D N 0.766 121.110 120.400 -0.093 0.000 2.571 257 D HA 0.072 4.712 4.640 0.000 0.000 0.231 257 D C 0.264 176.531 176.300 -0.055 0.000 1.133 257 D CA 0.859 54.800 54.000 -0.097 0.000 0.862 257 D CB 0.629 41.444 40.800 0.025 0.000 1.179 257 D HN -0.066 nan 8.370 nan 0.000 0.474 258 S N 1.861 117.436 115.700 -0.209 0.000 2.584 258 S HA 0.313 4.783 4.470 0.000 0.000 0.282 258 S C -1.892 172.655 174.600 -0.089 0.000 1.138 258 S CA -0.822 57.357 58.200 -0.034 0.000 0.987 258 S CB 0.016 63.228 63.200 0.019 0.000 1.137 258 S HN 0.371 nan 8.310 nan 0.000 0.457 259 W N 3.193 124.652 121.300 0.265 0.000 2.361 259 W HA 0.528 5.188 4.660 0.000 0.000 0.309 259 W C 0.280 177.007 176.519 0.346 0.000 1.122 259 W CA -0.381 57.163 57.345 0.331 0.000 1.208 259 W CB 1.733 31.391 29.460 0.330 0.000 1.246 259 W HN 0.449 nan 8.180 nan 0.000 0.490 260 T N 4.605 119.436 114.554 0.462 0.000 2.792 260 T HA 0.270 4.620 4.350 0.000 0.000 0.280 260 T C -0.756 173.797 174.700 -0.244 0.000 0.990 260 T CA -0.750 61.377 62.100 0.045 0.000 0.960 260 T CB 0.992 69.662 68.868 -0.330 0.000 0.939 260 T HN 0.179 nan 8.240 nan 0.000 0.439 261 L N 4.741 125.734 121.223 -0.383 0.000 2.534 261 L HA 0.395 4.735 4.340 0.000 0.000 0.271 261 L C -1.263 174.997 176.870 -1.016 0.000 1.178 261 L CA 0.570 54.891 54.840 -0.866 0.000 0.907 261 L CB -0.786 40.926 42.059 -0.579 0.000 1.164 261 L HN 0.465 nan 8.230 nan 0.000 0.482 262 F N 4.741 124.319 119.950 -0.619 0.000 2.639 262 F HA 0.527 5.054 4.527 0.000 0.000 0.339 262 F C -0.679 175.053 175.800 -0.114 0.000 1.071 262 F CA -0.597 57.073 58.000 -0.549 0.000 0.994 262 F CB 1.300 39.879 39.000 -0.702 0.000 1.341 262 F HN 0.351 nan 8.300 nan 0.000 0.498 263 Y N -0.345 120.184 120.300 0.383 0.000 2.492 263 Y HA 0.631 5.181 4.550 0.000 0.000 0.346 263 Y C -1.044 174.962 175.900 0.176 0.000 0.997 263 Y CA -0.709 57.485 58.100 0.156 0.000 1.025 263 Y CB 2.120 40.594 38.460 0.023 0.000 1.263 263 Y HN 0.523 nan 8.280 nan 0.000 0.454 264 T N 3.971 117.986 114.554 -0.898 0.000 2.916 264 T HA 0.236 4.586 4.350 0.000 0.000 0.298 264 T C 0.340 174.514 174.700 -0.877 0.000 1.031 264 T CA -0.366 61.370 62.100 -0.605 0.000 0.993 264 T CB 1.881 70.593 68.868 -0.259 0.000 1.045 264 T HN 0.792 nan 8.240 nan 0.000 0.454 265 T N 2.116 116.392 114.554 -0.464 0.000 2.976 265 T HA -0.031 4.319 4.350 0.000 0.000 0.257 265 T C 1.808 176.401 174.700 -0.178 0.000 1.051 265 T CA 0.850 62.793 62.100 -0.261 0.000 1.141 265 T CB -0.013 68.790 68.868 -0.109 0.000 0.881 265 T HN 0.697 nan 8.240 nan 0.000 0.461 266 N N 1.106 119.708 118.700 -0.162 0.000 2.220 266 N HA 0.039 4.779 4.740 0.000 0.000 0.195 266 N C 0.627 176.068 175.510 -0.114 0.000 1.123 266 N CA 0.004 52.986 53.050 -0.113 0.000 0.874 266 N CB -0.308 38.123 38.487 -0.093 0.000 0.995 266 N HN 0.400 nan 8.380 nan 0.000 0.498 267 T N -2.025 112.442 114.554 -0.145 0.000 2.944 267 T HA 0.317 4.667 4.350 0.000 0.000 0.284 267 T C -0.018 174.612 174.700 -0.116 0.000 1.010 267 T CA -0.935 61.084 62.100 -0.135 0.000 1.025 267 T CB 1.136 69.900 68.868 -0.172 0.000 1.079 267 T HN 0.088 nan 8.240 nan 0.000 0.516 268 N N 0.501 119.144 118.700 -0.095 0.000 2.357 268 N HA 0.042 4.783 4.740 0.000 0.000 0.257 268 N C -0.495 174.973 175.510 -0.070 0.000 1.250 268 N CA 0.114 53.121 53.050 -0.071 0.000 0.862 268 N CB 0.201 38.653 38.487 -0.058 0.000 1.066 268 N HN 0.482 nan 8.380 nan 0.000 0.468 269 R N 2.413 122.883 120.500 -0.051 0.000 2.387 269 R HA 0.319 4.659 4.340 0.000 0.000 0.314 269 R C -0.452 175.835 176.300 -0.021 0.000 0.958 269 R CA -1.086 54.992 56.100 -0.037 0.000 0.846 269 R CB 1.247 31.529 30.300 -0.031 0.000 1.147 269 R HN 0.483 nan 8.270 nan 0.000 0.447 270 V N 0.850 120.755 119.914 -0.014 0.000 2.963 270 V HA 0.094 4.214 4.120 0.000 0.000 0.306 270 V C -0.055 176.037 176.094 -0.003 0.000 1.077 270 V CA -0.246 62.049 62.300 -0.008 0.000 1.124 270 V CB 0.779 32.598 31.823 -0.005 0.000 0.987 270 V HN 0.755 nan 8.190 nan 0.000 0.487 271 Q N 2.993 122.795 119.800 0.003 0.000 2.571 271 Q HA 0.537 4.877 4.340 0.000 0.000 0.243 271 Q C -0.771 175.243 176.000 0.023 0.000 1.055 271 Q CA -0.321 55.488 55.803 0.010 0.000 0.815 271 Q CB 1.330 30.074 28.738 0.010 0.000 1.151 271 Q HN 0.813 nan 8.270 nan 0.000 0.519 272 I N 0.900 121.483 120.570 0.021 0.000 2.533 272 I HA -0.018 4.152 4.170 0.000 0.000 0.284 272 I C 1.098 177.243 176.117 0.047 0.000 1.109 272 I CA 0.679 62.012 61.300 0.055 0.000 1.412 272 I CB 1.077 39.097 38.000 0.035 0.000 1.396 272 I HN 0.539 nan 8.210 nan 0.000 0.543 273 T N 4.145 118.736 114.554 0.062 0.000 2.964 273 T HA 0.089 4.439 4.350 0.000 0.000 0.249 273 T C 0.284 174.962 174.700 -0.036 0.000 1.000 273 T CA 0.052 62.163 62.100 0.019 0.000 0.992 273 T CB 0.279 69.164 68.868 0.028 0.000 1.087 273 T HN 0.749 nan 8.240 nan 0.000 0.489 274 Q N 0.208 119.941 119.800 -0.112 0.000 2.633 274 Q HA 0.607 4.947 4.340 0.000 0.000 0.292 274 Q C -0.659 175.072 176.000 -0.448 0.000 1.089 274 Q CA -1.150 54.494 55.803 -0.265 0.000 0.811 274 Q CB 1.663 30.225 28.738 -0.293 0.000 1.472 274 Q HN -0.008 nan 8.270 nan 0.000 0.464 275 R N 0.602 120.870 120.500 -0.386 0.000 2.390 275 R HA 0.233 4.574 4.340 0.000 0.000 0.291 275 R C -0.991 174.956 176.300 -0.589 0.000 1.070 275 R CA -0.056 55.863 56.100 -0.301 0.000 1.014 275 R CB 0.565 30.780 30.300 -0.140 0.000 1.007 275 R HN 0.635 nan 8.270 nan 0.000 0.466 276 H N 3.961 122.885 119.070 -0.244 0.000 2.600 276 H HA 0.326 4.882 4.556 0.000 0.000 0.357 276 H C -1.459 173.591 175.328 -0.464 0.000 1.106 276 H CA -0.544 55.130 56.048 -0.624 0.000 1.193 276 H CB 1.786 30.704 29.762 -1.406 0.000 1.594 276 H HN 0.509 nan 8.280 nan 0.000 0.526 277 F N 1.722 121.474 119.950 -0.330 0.000 2.581 277 F HA 0.630 5.157 4.527 0.000 0.000 0.311 277 F C -1.635 174.230 175.800 0.110 0.000 1.113 277 F CA -0.460 57.464 58.000 -0.126 0.000 0.935 277 F CB 1.483 40.334 39.000 -0.249 0.000 1.232 277 F HN 0.666 nan 8.300 nan 0.000 0.445 278 A N 3.982 126.245 122.820 -0.929 0.000 2.539 278 A HA 0.717 5.037 4.320 0.000 0.000 0.296 278 A C -2.400 174.441 177.584 -1.238 0.000 1.073 278 A CA -0.538 51.018 52.037 -0.802 0.000 0.700 278 A CB 0.964 19.867 19.000 -0.161 0.000 1.296 278 A HN 0.649 nan 8.150 nan 0.000 0.405 279 Y N 0.637 120.626 120.300 -0.519 0.000 2.341 279 Y HA 0.498 5.048 4.550 0.000 0.000 0.340 279 Y C 0.024 175.934 175.900 0.017 0.000 0.997 279 Y CA -0.440 57.566 58.100 -0.157 0.000 1.149 279 Y CB 1.688 40.207 38.460 0.099 0.000 1.171 279 Y HN 0.373 nan 8.280 nan 0.000 0.494 280 V N 3.831 123.878 119.914 0.222 0.000 2.531 280 V HA 0.467 4.587 4.120 0.000 0.000 0.301 280 V C -0.217 176.090 176.094 0.355 0.000 1.034 280 V CA -1.132 61.313 62.300 0.241 0.000 0.865 280 V CB 1.166 33.085 31.823 0.160 0.000 0.995 280 V HN 0.966 nan 8.190 nan 0.000 0.424 281 C N 2.566 122.053 119.300 0.312 0.000 2.486 281 C HA 0.979 5.439 4.460 0.000 0.000 0.348 281 C C 0.551 175.637 174.990 0.160 0.000 1.203 281 C CA -0.766 58.437 59.018 0.308 0.000 1.911 281 C CB 1.161 28.954 27.740 0.088 0.000 2.340 281 C HN 1.164 nan 8.230 nan 0.000 0.511 282 A N 1.630 124.375 122.820 -0.124 0.000 2.309 282 A HA 0.525 4.845 4.320 0.000 0.000 0.290 282 A C 1.264 178.655 177.584 -0.321 0.000 1.206 282 A CA -0.428 51.263 52.037 -0.577 0.000 0.850 282 A CB 0.155 18.507 19.000 -1.079 0.000 1.118 282 A HN 1.102 nan 8.150 nan 0.000 0.523 283 R N 2.498 122.853 120.500 -0.242 0.000 2.055 283 R HA -0.036 4.304 4.340 0.000 0.000 0.226 283 R C 0.953 177.111 176.300 -0.237 0.000 1.135 283 R CA 1.532 57.524 56.100 -0.180 0.000 0.959 283 R CB -0.190 30.034 30.300 -0.126 0.000 0.854 283 R HN 0.743 nan 8.270 nan 0.000 0.431 284 S N 0.362 115.885 115.700 -0.295 0.000 2.584 284 S HA 0.270 4.740 4.470 0.000 0.000 0.273 284 S C -2.075 172.168 174.600 -0.594 0.000 1.311 284 S CA -1.477 56.406 58.200 -0.528 0.000 1.034 284 S CB 1.650 64.605 63.200 -0.408 0.000 0.939 284 S HN 0.087 nan 8.310 nan 0.000 0.513 285 P HA -0.014 nan 4.420 nan 0.000 0.230 285 P C 0.452 177.211 177.300 -0.902 0.000 1.158 285 P CA 0.737 63.152 63.100 -1.141 0.000 0.769 285 P CB -0.222 30.230 31.700 -2.080 0.000 0.807 286 D N -1.059 118.964 120.400 -0.629 0.000 2.378 286 D HA -0.172 4.468 4.640 0.000 0.000 0.227 286 D C 1.634 177.830 176.300 -0.173 0.000 1.012 286 D CA 0.061 53.901 54.000 -0.267 0.000 0.905 286 D CB -1.490 39.345 40.800 0.058 0.000 0.895 286 D HN 0.408 nan 8.370 nan 0.000 0.532 287 W N 1.413 122.552 121.300 -0.268 0.000 2.341 287 W HA -0.140 4.520 4.660 0.000 0.000 0.283 287 W C 0.795 177.278 176.519 -0.059 0.000 1.215 287 W CA 0.379 57.605 57.345 -0.198 0.000 1.211 287 W CB -1.035 28.236 29.460 -0.314 0.000 1.131 287 W HN -0.088 nan 8.180 nan 0.000 0.552 288 N N 1.312 119.497 118.700 -0.859 0.000 2.289 288 N HA -0.131 4.609 4.740 0.000 0.000 0.184 288 N C 1.690 177.043 175.510 -0.262 0.000 1.016 288 N CA 1.562 54.078 53.050 -0.889 0.000 0.872 288 N CB -0.098 37.753 38.487 -1.060 0.000 0.973 288 N HN 0.177 nan 8.380 nan 0.000 0.433 289 V N 0.384 120.216 119.914 -0.137 0.000 3.590 289 V HA 0.023 4.143 4.120 0.000 0.000 0.265 289 V C -0.017 176.213 176.094 0.226 0.000 1.239 289 V CA 0.216 62.583 62.300 0.113 0.000 1.117 289 V CB 0.100 32.008 31.823 0.143 0.000 0.818 289 V HN 0.017 nan 8.190 nan 0.000 0.451 290 D N 0.581 121.132 120.400 0.253 0.000 2.374 290 D HA 0.115 4.755 4.640 0.000 0.000 0.240 290 D C 1.087 177.607 176.300 0.366 0.000 1.229 290 D CA 0.136 54.355 54.000 0.365 0.000 0.895 290 D CB 1.349 42.421 40.800 0.452 0.000 1.046 290 D HN 0.243 nan 8.370 nan 0.000 0.498 291 K N 0.950 121.536 120.400 0.309 0.000 2.148 291 K HA -0.053 4.267 4.320 0.000 0.000 0.204 291 K C 1.893 178.614 176.600 0.201 0.000 1.050 291 K CA 0.745 57.173 56.287 0.235 0.000 0.942 291 K CB 0.322 32.937 32.500 0.192 0.000 0.724 291 K HN 0.205 nan 8.250 nan 0.000 0.446 292 S N 0.171 116.030 115.700 0.265 0.000 2.371 292 S HA -0.116 4.354 4.470 0.000 0.000 0.224 292 S C 1.289 175.776 174.600 -0.189 0.000 1.029 292 S CA 0.482 58.733 58.200 0.085 0.000 0.978 292 S CB -0.218 63.058 63.200 0.126 0.000 0.833 292 S HN 0.467 nan 8.310 nan 0.000 0.466 293 W N 2.118 123.394 121.300 -0.039 0.000 2.374 293 W HA -0.033 4.627 4.660 0.000 0.000 0.288 293 W C 1.497 178.024 176.519 0.013 0.000 1.218 293 W CA 0.911 58.257 57.345 0.002 0.000 1.245 293 W CB -0.316 29.258 29.460 0.191 0.000 1.126 293 W HN 0.275 nan 8.180 nan 0.000 0.545 294 I N 0.515 121.254 120.570 0.281 0.000 2.406 294 I HA -0.202 3.968 4.170 0.000 0.000 0.249 294 I C 2.668 178.806 176.117 0.034 0.000 1.122 294 I CA 1.151 62.584 61.300 0.223 0.000 1.431 294 I CB -0.816 37.361 38.000 0.295 0.000 1.087 294 I HN -0.163 nan 8.210 nan 0.000 0.424 295 A N 0.854 123.636 122.820 -0.064 0.000 1.877 295 A HA -0.171 4.149 4.320 0.000 0.000 0.216 295 A C 2.536 179.977 177.584 -0.238 0.000 1.186 295 A CA 1.872 53.781 52.037 -0.214 0.000 0.620 295 A CB -0.888 17.848 19.000 -0.440 0.000 0.822 295 A HN 0.399 nan 8.150 nan 0.000 0.443 296 A N -0.313 122.356 122.820 -0.253 0.000 1.933 296 A HA 0.176 4.496 4.320 0.000 0.000 0.218 296 A C 2.432 179.919 177.584 -0.162 0.000 1.175 296 A CA 2.007 53.919 52.037 -0.208 0.000 0.628 296 A CB -0.846 17.890 19.000 -0.440 0.000 0.814 296 A HN 1.050 nan 8.150 nan 0.000 0.444 297 A N -0.179 122.541 122.820 -0.168 0.000 1.968 297 A HA -0.113 4.207 4.320 0.000 0.000 0.217 297 A C 1.965 179.550 177.584 0.002 0.000 1.169 297 A CA 1.329 53.330 52.037 -0.062 0.000 0.638 297 A CB -0.483 18.516 19.000 -0.001 0.000 0.812 297 A HN 0.571 nan 8.150 nan 0.000 0.446 298 N N 0.222 118.913 118.700 -0.014 0.000 2.106 298 N HA -0.056 4.684 4.740 0.000 0.000 0.188 298 N C 1.742 177.241 175.510 -0.019 0.000 1.029 298 N CA 1.202 54.250 53.050 -0.003 0.000 0.848 298 N CB -0.298 38.178 38.487 -0.019 0.000 1.007 298 N HN 0.437 nan 8.380 nan 0.000 0.423 299 L N 1.006 122.200 121.223 -0.049 0.000 2.079 299 L HA -0.161 4.179 4.340 0.000 0.000 0.210 299 L C 2.253 179.125 176.870 0.003 0.000 1.081 299 L CA 1.149 55.969 54.840 -0.034 0.000 0.752 299 L CB -0.925 41.114 42.059 -0.034 0.000 0.896 299 L HN 0.178 nan 8.230 nan 0.000 0.433 300 T N 0.052 114.629 114.554 0.038 0.000 2.699 300 T HA -0.230 4.120 4.350 0.000 0.000 0.268 300 T C 1.952 176.703 174.700 0.085 0.000 1.036 300 T CA 1.526 63.687 62.100 0.102 0.000 1.147 300 T CB -0.209 68.756 68.868 0.163 0.000 0.862 300 T HN 0.491 nan 8.240 nan 0.000 0.446 301 A N 0.914 123.775 122.820 0.069 0.000 1.930 301 A HA 0.007 4.327 4.320 0.000 0.000 0.217 301 A C 2.272 179.870 177.584 0.024 0.000 1.175 301 A CA 1.077 53.150 52.037 0.059 0.000 0.627 301 A CB -0.656 18.373 19.000 0.048 0.000 0.815 301 A HN 0.559 nan 8.150 nan 0.000 0.443 302 I N -0.698 119.874 120.570 0.003 0.000 2.202 302 I HA -0.179 3.991 4.170 0.000 0.000 0.242 302 I C 2.324 178.423 176.117 -0.032 0.000 1.091 302 I CA 1.005 62.297 61.300 -0.013 0.000 1.368 302 I CB -0.617 37.361 38.000 -0.036 0.000 1.058 302 I HN 0.123 nan 8.210 nan 0.000 0.410 303 V N 0.963 120.834 119.914 -0.071 0.000 2.332 303 V HA -0.304 3.816 4.120 0.000 0.000 0.248 303 V C 2.443 178.412 176.094 -0.209 0.000 1.055 303 V CA 2.084 64.276 62.300 -0.181 0.000 1.038 303 V CB -0.430 31.227 31.823 -0.277 0.000 0.651 303 V HN 0.404 nan 8.190 nan 0.000 0.450 304 M N -0.776 118.764 119.600 -0.099 0.000 2.419 304 M HA 0.039 4.519 4.480 0.000 0.000 0.264 304 M C 2.153 178.504 176.300 0.084 0.000 1.082 304 M CA 1.273 56.577 55.300 0.007 0.000 1.119 304 M CB -0.327 32.381 32.600 0.179 0.000 1.398 304 M HN 0.359 nan 8.290 nan 0.000 0.453 305 A N 0.065 122.946 122.820 0.102 0.000 2.014 305 A HA -0.147 4.173 4.320 0.000 0.000 0.218 305 A C 2.265 179.942 177.584 0.156 0.000 1.163 305 A CA 1.523 53.705 52.037 0.241 0.000 0.652 305 A CB -1.012 18.126 19.000 0.230 0.000 0.808 305 A HN 0.756 nan 8.150 nan 0.000 0.449 306 C N -0.464 118.865 119.300 0.048 0.000 2.514 306 C HA 0.427 4.887 4.460 0.000 0.000 0.271 306 C C 1.224 176.191 174.990 -0.039 0.000 1.399 306 C CA -0.064 58.958 59.018 0.006 0.000 1.765 306 C CB -1.374 26.358 27.740 -0.013 0.000 1.893 306 C HN 0.621 nan 8.230 nan 0.000 0.531 307 R N -0.433 120.038 120.500 -0.048 0.000 2.939 307 R HA 0.616 4.956 4.340 0.000 0.000 0.254 307 R C -1.032 175.232 176.300 -0.060 0.000 1.123 307 R CA -0.616 55.444 56.100 -0.067 0.000 1.020 307 R CB 0.270 30.522 30.300 -0.079 0.000 1.206 307 R HN 0.018 nan 8.270 nan 0.000 0.491 308 Q N 1.854 121.614 119.800 -0.067 0.000 2.377 308 Q HA 0.326 4.666 4.340 0.000 0.000 0.249 308 Q C -2.076 173.903 176.000 -0.036 0.000 1.005 308 Q CA -1.778 53.995 55.803 -0.050 0.000 0.912 308 Q CB 1.403 30.101 28.738 -0.066 0.000 1.223 308 Q HN 0.474 nan 8.270 nan 0.000 0.459 309 P HA 0.394 nan 4.420 nan 0.000 0.281 309 P C -2.533 174.725 177.300 -0.070 0.000 1.281 309 P CA -1.907 61.211 63.100 0.030 0.000 0.811 309 P CB -0.168 31.655 31.700 0.204 0.000 1.154 310 P HA -0.015 nan 4.420 nan 0.000 0.263 310 P C -0.467 176.752 177.300 -0.135 0.000 1.175 310 P CA 0.374 63.358 63.100 -0.194 0.000 0.761 310 P CB 0.016 31.493 31.700 -0.372 0.000 0.794 311 V N 4.985 124.825 119.914 -0.122 0.000 2.488 311 V HA 0.092 4.212 4.120 0.000 0.000 0.277 311 V C 0.555 176.574 176.094 -0.124 0.000 1.046 311 V CA -0.098 62.115 62.300 -0.146 0.000 0.986 311 V CB -0.711 31.077 31.823 -0.058 0.000 0.989 311 V HN 0.347 nan 8.190 nan 0.000 0.475 312 F N 2.950 122.789 119.950 -0.185 0.000 2.563 312 F HA 0.338 4.865 4.527 0.000 0.000 0.363 312 F C 1.132 176.878 175.800 -0.090 0.000 1.123 312 F CA 0.176 58.060 58.000 -0.193 0.000 1.307 312 F CB 0.393 39.127 39.000 -0.444 0.000 1.115 312 F HN 0.608 nan 8.300 nan 0.000 0.592 313 A N 3.645 126.570 122.820 0.176 0.000 2.524 313 A HA 0.039 4.359 4.320 0.000 0.000 0.250 313 A C 1.435 179.061 177.584 0.070 0.000 1.078 313 A CA -0.478 51.616 52.037 0.095 0.000 0.761 313 A CB -0.098 18.942 19.000 0.066 0.000 1.012 313 A HN 0.830 nan 8.150 nan 0.000 0.500 314 N N 1.094 119.826 118.700 0.053 0.000 2.132 314 N HA -0.232 4.509 4.740 0.000 0.000 0.191 314 N C 1.752 177.269 175.510 0.013 0.000 1.015 314 N CA 1.886 54.960 53.050 0.039 0.000 0.864 314 N CB -0.242 38.269 38.487 0.040 0.000 1.006 314 N HN 0.906 nan 8.380 nan 0.000 0.430 315 Q N -0.056 119.750 119.800 0.010 0.000 2.226 315 Q HA -0.059 4.282 4.340 0.000 0.000 0.204 315 Q C 1.525 177.510 176.000 -0.026 0.000 0.975 315 Q CA 1.439 57.239 55.803 -0.004 0.000 0.866 315 Q CB -0.231 28.506 28.738 -0.001 0.000 0.915 315 Q HN 0.373 nan 8.270 nan 0.000 0.440 316 G N 0.516 109.294 108.800 -0.036 0.000 2.920 316 G HA2 0.156 4.116 3.960 0.000 0.000 0.208 316 G HA3 0.156 4.116 3.960 0.000 0.000 0.208 316 G C 0.358 175.155 174.900 -0.172 0.000 1.159 316 G CA 0.575 45.626 45.100 -0.082 0.000 0.784 316 G HN 0.263 nan 8.290 nan 0.000 0.535 317 V N -1.494 118.333 119.914 -0.145 0.000 3.113 317 V HA 0.767 4.887 4.120 0.000 0.000 0.316 317 V C 0.315 176.363 176.094 -0.077 0.000 1.125 317 V CA -1.928 60.273 62.300 -0.165 0.000 1.026 317 V CB 1.682 33.407 31.823 -0.163 0.000 1.080 317 V HN 0.257 nan 8.190 nan 0.000 0.444 318 I N -0.225 120.308 120.570 -0.062 0.000 3.004 318 I HA 0.445 4.615 4.170 0.000 0.000 0.287 318 I C 1.284 177.408 176.117 0.011 0.000 1.144 318 I CA -0.103 61.191 61.300 -0.009 0.000 1.353 318 I CB 0.130 38.148 38.000 0.031 0.000 1.417 318 I HN 0.626 nan 8.210 nan 0.000 0.602 319 N N 2.241 120.962 118.700 0.034 0.000 2.061 319 N HA -0.224 4.516 4.740 0.000 0.000 0.193 319 N C 1.499 177.057 175.510 0.080 0.000 1.030 319 N CA 1.838 54.918 53.050 0.050 0.000 0.856 319 N CB -0.498 38.017 38.487 0.047 0.000 1.023 319 N HN 0.692 nan 8.380 nan 0.000 0.424 320 Q N -0.487 119.381 119.800 0.114 0.000 2.437 320 Q HA 0.186 4.527 4.340 0.000 0.000 0.210 320 Q C 1.319 177.431 176.000 0.188 0.000 0.972 320 Q CA 1.056 56.973 55.803 0.191 0.000 0.903 320 Q CB 0.084 28.965 28.738 0.238 0.000 0.967 320 Q HN 0.398 nan 8.270 nan 0.000 0.486 321 A N -0.274 122.519 122.820 -0.044 0.000 2.308 321 A HA 0.081 4.401 4.320 0.000 0.000 0.217 321 A C 0.385 178.067 177.584 0.162 0.000 1.216 321 A CA -0.240 51.648 52.037 -0.248 0.000 0.864 321 A CB 0.251 18.840 19.000 -0.684 0.000 0.902 321 A HN 0.228 nan 8.150 nan 0.000 0.499 322 Q N 0.539 120.417 119.800 0.129 0.000 2.394 322 Q HA 0.160 4.500 4.340 0.000 0.000 0.248 322 Q C -0.290 175.780 176.000 0.116 0.000 0.992 322 Q CA -0.348 55.527 55.803 0.120 0.000 0.888 322 Q CB 0.269 29.053 28.738 0.077 0.000 1.257 322 Q HN 0.472 nan 8.270 nan 0.000 0.462 323 N N 0.746 119.497 118.700 0.085 0.000 2.725 323 N HA -0.190 4.550 4.740 0.000 0.000 0.249 323 N C -0.816 174.685 175.510 -0.015 0.000 1.103 323 N CA 0.811 53.886 53.050 0.041 0.000 0.707 323 N CB -0.795 37.714 38.487 0.036 0.000 1.043 323 N HN 0.445 nan 8.380 nan 0.000 0.553 324 R N 1.544 122.018 120.500 -0.042 0.000 2.216 324 R HA 0.304 4.645 4.340 0.000 0.000 0.332 324 R C -2.436 173.765 176.300 -0.164 0.000 1.056 324 R CA -1.614 54.312 56.100 -0.291 0.000 0.901 324 R CB 0.469 30.285 30.300 -0.807 0.000 1.039 324 R HN -0.072 nan 8.270 nan 0.000 0.456 325 P HA 0.063 nan 4.420 nan 0.000 0.258 325 P C 0.301 177.560 177.300 -0.068 0.000 1.187 325 P CA 1.198 64.245 63.100 -0.088 0.000 0.767 325 P CB 0.702 32.350 31.700 -0.086 0.000 0.770 326 G N 2.253 111.044 108.800 -0.015 0.000 2.195 326 G HA2 -0.341 3.619 3.960 0.000 0.000 0.246 326 G HA3 -0.341 3.619 3.960 0.000 0.000 0.246 326 G C 0.413 175.362 174.900 0.082 0.000 0.984 326 G CA 0.225 45.330 45.100 0.008 0.000 0.633 326 G HN 0.530 nan 8.290 nan 0.000 0.525 327 F N 1.705 121.613 119.950 -0.071 0.000 2.549 327 F HA 0.501 5.028 4.527 0.000 0.000 0.275 327 F C 1.007 176.884 175.800 0.128 0.000 0.990 327 F CA 1.375 59.388 58.000 0.022 0.000 1.274 327 F CB 0.647 39.614 39.000 -0.055 0.000 1.064 327 F HN 0.537 nan 8.300 nan 0.000 0.715 328 S N 1.889 117.705 115.700 0.193 0.000 2.541 328 S HA 0.736 5.206 4.470 0.000 0.000 0.280 328 S C -0.777 173.874 174.600 0.085 0.000 1.112 328 S CA -0.642 57.641 58.200 0.137 0.000 0.925 328 S CB 2.088 65.451 63.200 0.272 0.000 1.067 328 S HN 0.393 nan 8.310 nan 0.000 0.479 329 M N 0.589 120.227 119.600 0.063 0.000 2.578 329 M HA 0.589 5.069 4.480 0.000 0.000 0.276 329 M C -1.662 174.663 176.300 0.041 0.000 1.245 329 M CA -0.893 54.432 55.300 0.042 0.000 0.871 329 M CB 1.430 34.045 32.600 0.025 0.000 1.722 329 M HN 0.396 nan 8.290 nan 0.000 0.473 330 N N 1.216 119.935 118.700 0.033 0.000 2.468 330 N HA 0.283 5.023 4.740 0.000 0.000 0.265 330 N C 0.908 176.434 175.510 0.027 0.000 1.199 330 N CA 1.754 54.822 53.050 0.029 0.000 0.928 330 N CB 0.917 39.418 38.487 0.024 0.000 1.059 330 N HN 1.052 nan 8.380 nan 0.000 0.467 331 G N 1.083 109.900 108.800 0.029 0.000 2.160 331 G HA2 -0.201 3.759 3.960 0.000 0.000 0.244 331 G HA3 -0.201 3.759 3.960 0.000 0.000 0.244 331 G C 0.613 175.533 174.900 0.034 0.000 1.022 331 G CA 0.165 45.282 45.100 0.028 0.000 0.741 331 G HN 0.835 nan 8.290 nan 0.000 0.508 332 G N -1.046 107.780 108.800 0.043 0.000 2.535 332 G HA2 0.579 4.539 3.960 0.000 0.000 0.282 332 G HA3 0.579 4.539 3.960 0.000 0.000 0.282 332 G C 0.396 175.341 174.900 0.074 0.000 1.350 332 G CA 0.350 45.481 45.100 0.051 0.000 1.039 332 G HN 0.654 nan 8.290 nan 0.000 0.509 333 T N 2.814 117.429 114.554 0.102 0.000 2.853 333 T HA 0.329 4.679 4.350 0.000 0.000 0.298 333 T C -2.086 172.725 174.700 0.186 0.000 0.978 333 T CA -0.382 61.816 62.100 0.164 0.000 1.152 333 T CB 1.242 70.262 68.868 0.254 0.000 0.914 333 T HN 0.289 nan 8.240 nan 0.000 0.539 334 P HA 0.258 nan 4.420 nan 0.000 0.277 334 P C -0.771 176.525 177.300 -0.005 0.000 1.240 334 P CA -0.517 62.573 63.100 -0.017 0.000 0.798 334 P CB 0.593 32.183 31.700 -0.183 0.000 0.979 335 V N 3.730 123.638 119.914 -0.010 0.000 2.334 335 V HA 0.151 4.271 4.120 0.000 0.000 0.267 335 V C 0.537 176.573 176.094 -0.096 0.000 1.040 335 V CA -0.314 62.017 62.300 0.050 0.000 0.866 335 V CB -0.883 30.974 31.823 0.058 0.000 1.019 335 V HN 0.538 nan 8.190 nan 0.000 0.468 336 H N 2.975 122.101 119.070 0.093 0.000 2.679 336 H HA 0.469 5.025 4.556 0.000 0.000 0.369 336 H C 0.382 175.743 175.328 0.056 0.000 1.178 336 H CA -0.145 55.932 56.048 0.049 0.000 1.419 336 H CB 0.735 30.503 29.762 0.011 0.000 1.458 336 H HN 0.799 nan 8.280 nan 0.000 0.605 337 E N 1.668 121.961 120.200 0.155 0.000 2.317 337 E HA 0.507 4.857 4.350 0.000 0.000 0.270 337 E C -1.571 175.060 176.600 0.052 0.000 0.885 337 E CA -0.871 55.574 56.400 0.075 0.000 0.760 337 E CB 1.805 31.514 29.700 0.015 0.000 1.227 337 E HN 0.358 nan 8.360 nan 0.000 0.434 338 L N 2.583 123.808 121.223 0.003 0.000 2.356 338 L HA 0.391 4.731 4.340 0.000 0.000 0.277 338 L C -0.238 176.568 176.870 -0.107 0.000 0.996 338 L CA -1.120 53.702 54.840 -0.030 0.000 0.822 338 L CB 1.813 43.886 42.059 0.024 0.000 1.256 338 L HN 0.637 nan 8.230 nan 0.000 0.413 339 N N 3.650 122.309 118.700 -0.067 0.000 2.458 339 N HA 0.172 4.912 4.740 0.000 0.000 0.270 339 N C 0.663 176.143 175.510 -0.051 0.000 1.102 339 N CA -0.128 52.881 53.050 -0.068 0.000 0.967 339 N CB 1.480 39.955 38.487 -0.019 0.000 1.078 339 N HN 0.657 nan 8.380 nan 0.000 0.471 340 L N 2.966 124.158 121.223 -0.053 0.000 2.109 340 L HA -0.128 4.212 4.340 0.000 0.000 0.207 340 L C 2.141 179.025 176.870 0.023 0.000 1.086 340 L CA 0.548 55.386 54.840 -0.004 0.000 0.760 340 L CB -0.300 41.773 42.059 0.023 0.000 0.910 340 L HN 0.516 nan 8.230 nan 0.000 0.437 341 L N -0.217 121.039 121.223 0.056 0.000 2.027 341 L HA -0.146 4.194 4.340 0.000 0.000 0.206 341 L C 2.385 179.252 176.870 -0.006 0.000 1.074 341 L CA 2.058 56.927 54.840 0.048 0.000 0.745 341 L CB -0.877 41.230 42.059 0.081 0.000 0.898 341 L HN 0.085 nan 8.230 nan 0.000 0.433 342 T N -0.980 113.570 114.554 -0.007 0.000 2.759 342 T HA -0.164 4.186 4.350 0.000 0.000 0.269 342 T C 1.699 176.357 174.700 -0.070 0.000 1.042 342 T CA 1.909 63.990 62.100 -0.031 0.000 1.140 342 T CB -0.526 68.331 68.868 -0.019 0.000 0.864 342 T HN 0.455 nan 8.240 nan 0.000 0.455 343 T N 1.600 116.107 114.554 -0.080 0.000 2.904 343 T HA 0.119 4.469 4.350 0.000 0.000 0.267 343 T C 2.387 176.949 174.700 -0.229 0.000 1.059 343 T CA 0.914 62.935 62.100 -0.131 0.000 1.137 343 T CB -0.352 68.467 68.868 -0.081 0.000 0.879 343 T HN 0.429 nan 8.240 nan 0.000 0.467 344 A N 1.300 123.996 122.820 -0.208 0.000 1.968 344 A HA -0.081 4.239 4.320 0.000 0.000 0.217 344 A C 2.233 179.675 177.584 -0.236 0.000 1.169 344 A CA 1.126 53.016 52.037 -0.245 0.000 0.638 344 A CB -0.467 18.451 19.000 -0.136 0.000 0.812 344 A HN 0.497 nan 8.150 nan 0.000 0.446 345 Q N -0.756 118.948 119.800 -0.159 0.000 2.172 345 Q HA -0.112 4.228 4.340 0.000 0.000 0.200 345 Q C 1.795 177.695 176.000 -0.168 0.000 0.964 345 Q CA 1.202 56.923 55.803 -0.137 0.000 0.855 345 Q CB -0.023 28.666 28.738 -0.082 0.000 0.918 345 Q HN 0.561 nan 8.270 nan 0.000 0.444 346 E N 0.017 120.110 120.200 -0.179 0.000 2.122 346 E HA -0.122 4.228 4.350 0.000 0.000 0.190 346 E C 2.055 178.499 176.600 -0.260 0.000 0.977 346 E CA 0.375 56.669 56.400 -0.175 0.000 0.820 346 E CB -0.345 29.272 29.700 -0.138 0.000 0.770 346 E HN 0.313 nan 8.360 nan 0.000 0.462 347 C N 1.008 120.087 119.300 -0.369 0.000 2.413 347 C HA -0.141 4.319 4.460 0.000 0.000 0.278 347 C C 2.729 177.175 174.990 -0.906 0.000 1.224 347 C CA 0.641 59.302 59.018 -0.595 0.000 1.732 347 C CB -1.180 26.168 27.740 -0.654 0.000 2.050 347 C HN 0.363 nan 8.230 nan 0.000 0.463 348 I N 0.610 120.708 120.570 -0.787 0.000 2.143 348 I HA -0.293 3.877 4.170 0.000 0.000 0.245 348 I C 2.910 178.903 176.117 -0.206 0.000 1.068 348 I CA 2.367 63.364 61.300 -0.505 0.000 1.326 348 I CB -0.667 37.181 38.000 -0.253 0.000 1.028 348 I HN 0.450 nan 8.210 nan 0.000 0.412 349 R N 0.425 120.817 120.500 -0.180 0.000 2.075 349 R HA -0.181 4.159 4.340 0.000 0.000 0.232 349 R C 2.377 178.653 176.300 -0.040 0.000 1.126 349 R CA 1.234 57.286 56.100 -0.080 0.000 0.963 349 R CB -0.082 30.168 30.300 -0.084 0.000 0.858 349 R HN 0.355 nan 8.270 nan 0.000 0.435 350 Q N -0.158 119.590 119.800 -0.085 0.000 2.112 350 Q HA -0.221 4.119 4.340 0.000 0.000 0.206 350 Q C 1.876 177.975 176.000 0.165 0.000 0.987 350 Q CA 1.501 57.304 55.803 -0.001 0.000 0.858 350 Q CB -0.332 28.383 28.738 -0.039 0.000 0.905 350 Q HN 0.485 nan 8.270 nan 0.000 0.420 351 W N 0.195 121.492 121.300 -0.006 0.000 2.358 351 W HA -0.095 4.565 4.660 0.000 0.000 0.303 351 W C 2.327 178.838 176.519 -0.014 0.000 1.208 351 W CA 0.289 57.631 57.345 -0.004 0.000 1.274 351 W CB -1.261 28.204 29.460 0.009 0.000 1.138 351 W HN -0.065 nan 8.180 nan 0.000 0.515 352 V N 0.825 120.867 119.914 0.214 0.000 2.261 352 V HA -0.346 3.774 4.120 0.000 0.000 0.246 352 V C 2.324 178.462 176.094 0.072 0.000 1.047 352 V CA 2.184 64.552 62.300 0.112 0.000 1.015 352 V CB -0.986 30.877 31.823 0.068 0.000 0.642 352 V HN 0.074 nan 8.190 nan 0.000 0.446 353 M N -0.224 119.411 119.600 0.058 0.000 2.426 353 M HA -0.170 4.310 4.480 0.000 0.000 0.261 353 M C 1.872 178.192 176.300 0.034 0.000 1.068 353 M CA 1.803 57.124 55.300 0.034 0.000 1.066 353 M CB -0.400 32.214 32.600 0.022 0.000 1.399 353 M HN 0.420 nan 8.290 nan 0.000 0.449 354 A N -0.849 122.005 122.820 0.057 0.000 2.308 354 A HA 0.431 4.752 4.320 0.000 0.000 0.217 354 A C 1.669 179.257 177.584 0.007 0.000 1.216 354 A CA 0.656 52.712 52.037 0.032 0.000 0.864 354 A CB -0.376 18.654 19.000 0.050 0.000 0.902 354 A HN 0.590 nan 8.150 nan 0.000 0.499 355 G N -0.862 107.949 108.800 0.018 0.000 2.162 355 G HA2 -0.291 3.669 3.960 0.000 0.000 0.260 355 G HA3 -0.291 3.669 3.960 0.000 0.000 0.260 355 G C 0.814 175.707 174.900 -0.012 0.000 0.976 355 G CA 0.639 45.739 45.100 0.001 0.000 0.655 355 G HN 0.431 nan 8.290 nan 0.000 0.533 356 L N -0.328 120.891 121.223 -0.006 0.000 2.179 356 L HA 0.277 4.617 4.340 0.000 0.000 0.208 356 L C 1.581 178.422 176.870 -0.049 0.000 1.096 356 L CA 1.519 56.319 54.840 -0.066 0.000 0.779 356 L CB 0.013 41.989 42.059 -0.138 0.000 0.922 356 L HN 0.536 nan 8.230 nan 0.000 0.443 357 V N -4.722 115.213 119.914 0.035 0.000 2.962 357 V HA 0.599 4.719 4.120 0.000 0.000 0.313 357 V C 0.011 176.134 176.094 0.048 0.000 1.099 357 V CA -1.022 61.308 62.300 0.049 0.000 0.971 357 V CB 1.597 33.492 31.823 0.121 0.000 1.028 357 V HN 0.093 nan 8.190 nan 0.000 0.430 358 S N 2.237 117.955 115.700 0.031 0.000 2.593 358 S HA 0.569 5.039 4.470 0.000 0.000 0.269 358 S C 1.436 176.056 174.600 0.033 0.000 1.334 358 S CA 0.006 58.220 58.200 0.024 0.000 1.015 358 S CB 1.204 64.413 63.200 0.014 0.000 0.912 358 S HN 1.907 nan 8.310 nan 0.000 0.541 359 A N 1.530 124.365 122.820 0.024 0.000 1.978 359 A HA 0.068 4.388 4.320 0.000 0.000 0.220 359 A C 2.295 179.891 177.584 0.021 0.000 1.170 359 A CA 1.768 53.818 52.037 0.022 0.000 0.636 359 A CB -1.524 17.485 19.000 0.013 0.000 0.810 359 A HN 1.197 nan 8.150 nan 0.000 0.448 360 A N -0.212 122.619 122.820 0.018 0.000 1.872 360 A HA -0.086 4.234 4.320 0.000 0.000 0.214 360 A C 2.059 179.657 177.584 0.024 0.000 1.187 360 A CA 2.144 54.191 52.037 0.017 0.000 0.614 360 A CB -0.439 18.568 19.000 0.012 0.000 0.826 360 A HN 0.432 nan 8.150 nan 0.000 0.442 361 K N 0.022 120.440 120.400 0.030 0.000 2.074 361 K HA -0.117 4.203 4.320 0.000 0.000 0.209 361 K C 1.858 178.493 176.600 0.059 0.000 1.048 361 K CA 1.851 58.164 56.287 0.043 0.000 0.926 361 K CB -0.964 31.564 32.500 0.047 0.000 0.713 361 K HN 0.351 nan 8.250 nan 0.000 0.444 362 G N 0.072 108.910 108.800 0.063 0.000 2.462 362 G HA2 -0.267 3.693 3.960 0.000 0.000 0.220 362 G HA3 -0.267 3.693 3.960 0.000 0.000 0.220 362 G C 1.229 176.146 174.900 0.028 0.000 1.121 362 G CA 0.688 45.822 45.100 0.056 0.000 0.758 362 G HN 0.334 nan 8.290 nan 0.000 0.559 363 Q N 0.740 120.553 119.800 0.022 0.000 2.046 363 Q HA 0.013 4.353 4.340 0.000 0.000 0.200 363 Q C 2.991 179.000 176.000 0.016 0.000 0.975 363 Q CA 1.391 57.203 55.803 0.013 0.000 0.836 363 Q CB -1.017 27.727 28.738 0.011 0.000 0.896 363 Q HN 0.422 nan 8.270 nan 0.000 0.428 364 A N 1.540 124.373 122.820 0.022 0.000 1.851 364 A HA -0.171 4.149 4.320 0.000 0.000 0.216 364 A C 2.364 179.965 177.584 0.027 0.000 1.195 364 A CA 1.482 53.533 52.037 0.024 0.000 0.622 364 A CB -0.980 18.036 19.000 0.026 0.000 0.831 364 A HN 0.294 nan 8.150 nan 0.000 0.444 365 L N -0.678 120.568 121.223 0.037 0.000 2.012 365 L HA -0.199 4.141 4.340 0.000 0.000 0.210 365 L C 2.858 179.736 176.870 0.013 0.000 1.073 365 L CA 1.899 56.762 54.840 0.038 0.000 0.748 365 L CB -1.057 41.047 42.059 0.075 0.000 0.891 365 L HN 0.407 nan 8.230 nan 0.000 0.431 366 T N -1.467 113.088 114.554 0.001 0.000 2.684 366 T HA -0.286 4.064 4.350 0.000 0.000 0.267 366 T C 1.832 176.534 174.700 0.003 0.000 1.036 366 T CA 1.471 63.564 62.100 -0.011 0.000 1.148 366 T CB -0.231 68.626 68.868 -0.018 0.000 0.863 366 T HN 0.179 nan 8.240 nan 0.000 0.436 367 Q N 1.348 121.154 119.800 0.010 0.000 2.096 367 Q HA -0.125 4.215 4.340 0.000 0.000 0.204 367 Q C 2.099 178.116 176.000 0.029 0.000 0.982 367 Q CA 1.738 57.550 55.803 0.015 0.000 0.850 367 Q CB -0.331 28.415 28.738 0.013 0.000 0.901 367 Q HN 0.668 nan 8.270 nan 0.000 0.422 368 E N -0.668 119.552 120.200 0.034 0.000 2.153 368 E HA -0.141 4.209 4.350 0.000 0.000 0.194 368 E C 1.821 178.473 176.600 0.086 0.000 0.988 368 E CA 0.859 57.291 56.400 0.052 0.000 0.811 368 E CB -0.193 29.527 29.700 0.034 0.000 0.746 368 E HN 0.441 nan 8.360 nan 0.000 0.466 369 A N 1.884 124.743 122.820 0.064 0.000 1.872 369 A HA -0.179 4.141 4.320 0.000 0.000 0.214 369 A C 1.907 179.555 177.584 0.107 0.000 1.187 369 A CA 1.299 53.392 52.037 0.093 0.000 0.614 369 A CB -0.407 18.611 19.000 0.031 0.000 0.826 369 A HN 0.095 nan 8.150 nan 0.000 0.442 370 N N 0.828 119.558 118.700 0.050 0.000 2.104 370 N HA -0.144 4.596 4.740 0.000 0.000 0.190 370 N C 1.138 176.658 175.510 0.016 0.000 1.024 370 N CA 1.683 54.745 53.050 0.021 0.000 0.853 370 N CB -0.454 38.034 38.487 0.001 0.000 1.008 370 N HN 0.447 nan 8.380 nan 0.000 0.424 371 D N -0.397 120.030 120.400 0.044 0.000 2.144 371 D HA -0.095 4.545 4.640 0.000 0.000 0.200 371 D C 1.686 178.024 176.300 0.064 0.000 0.978 371 D CA 0.417 54.440 54.000 0.039 0.000 0.833 371 D CB -0.352 40.481 40.800 0.054 0.000 0.961 371 D HN 0.225 nan 8.370 nan 0.000 0.470 372 F N 1.074 121.016 119.950 -0.013 0.000 2.206 372 F HA -0.094 4.433 4.527 0.000 0.000 0.298 372 F C 2.456 178.246 175.800 -0.016 0.000 1.090 372 F CA 0.983 58.982 58.000 -0.001 0.000 1.323 372 F CB -0.233 38.779 39.000 0.020 0.000 1.028 372 F HN -0.189 nan 8.300 nan 0.000 0.492 373 S N 0.506 116.169 115.700 -0.063 0.000 2.359 373 S HA -0.221 4.249 4.470 0.000 0.000 0.224 373 S C 1.962 176.374 174.600 -0.312 0.000 1.035 373 S CA 1.755 59.857 58.200 -0.165 0.000 1.018 373 S CB -0.519 62.662 63.200 -0.031 0.000 0.876 373 S HN 0.495 nan 8.310 nan 0.000 0.448 374 N N 1.300 119.856 118.700 -0.240 0.000 2.205 374 N HA -0.061 4.679 4.740 0.000 0.000 0.186 374 N C 1.720 177.065 175.510 -0.275 0.000 1.015 374 N CA 0.909 53.800 53.050 -0.263 0.000 0.862 374 N CB -0.568 37.820 38.487 -0.165 0.000 0.986 374 N HN 0.422 nan 8.380 nan 0.000 0.429 375 L N 0.380 121.442 121.223 -0.267 0.000 2.044 375 L HA -0.049 4.291 4.340 0.000 0.000 0.205 375 L C 1.886 178.578 176.870 -0.296 0.000 1.075 375 L CA 0.907 55.599 54.840 -0.246 0.000 0.747 375 L CB -0.086 41.840 42.059 -0.221 0.000 0.903 375 L HN 0.015 nan 8.230 nan 0.000 0.435 376 I N -0.171 120.122 120.570 -0.461 0.000 2.286 376 I HA -0.281 3.889 4.170 0.000 0.000 0.245 376 I C 2.473 178.436 176.117 -0.257 0.000 1.104 376 I CA 1.357 62.433 61.300 -0.374 0.000 1.397 376 I CB -1.175 36.515 38.000 -0.517 0.000 1.072 376 I HN 0.527 nan 8.210 nan 0.000 0.417 377 Q N 1.303 120.824 119.800 -0.465 0.000 2.061 377 Q HA -0.220 4.120 4.340 0.000 0.000 0.204 377 Q C 2.289 178.089 176.000 -0.333 0.000 0.984 377 Q CA 2.556 57.904 55.803 -0.758 0.000 0.846 377 Q CB -0.060 27.844 28.738 -1.390 0.000 0.902 377 Q HN 0.442 nan 8.270 nan 0.000 0.421 378 A N 0.853 123.514 122.820 -0.265 0.000 1.902 378 A HA -0.213 4.107 4.320 0.000 0.000 0.217 378 A C 1.669 179.228 177.584 -0.041 0.000 1.181 378 A CA 1.756 53.712 52.037 -0.134 0.000 0.623 378 A CB -0.615 18.310 19.000 -0.124 0.000 0.818 378 A HN 0.537 nan 8.150 nan 0.000 0.443 379 D N 0.168 120.549 120.400 -0.031 0.000 2.097 379 D HA -0.103 4.537 4.640 0.000 0.000 0.195 379 D C 1.913 178.283 176.300 0.118 0.000 0.989 379 D CA 1.077 55.111 54.000 0.056 0.000 0.827 379 D CB -0.406 40.453 40.800 0.099 0.000 0.966 379 D HN 0.451 nan 8.370 nan 0.000 0.456 380 L N 0.577 121.857 121.223 0.096 0.000 2.141 380 L HA -0.009 4.331 4.340 0.000 0.000 0.209 380 L C 2.568 179.629 176.870 0.319 0.000 1.094 380 L CA 1.116 56.059 54.840 0.172 0.000 0.763 380 L CB -0.692 41.421 42.059 0.090 0.000 0.908 380 L HN 0.076 nan 8.230 nan 0.000 0.437 381 G N -0.689 108.274 108.800 0.271 0.000 2.469 381 G HA2 -0.275 3.685 3.960 0.000 0.000 0.219 381 G HA3 -0.275 3.685 3.960 0.000 0.000 0.219 381 G C 1.532 176.496 174.900 0.107 0.000 1.150 381 G CA 0.428 45.653 45.100 0.209 0.000 0.763 381 G HN 0.283 nan 8.290 nan 0.000 0.561 382 Q N 0.076 119.927 119.800 0.085 0.000 2.050 382 Q HA 0.004 4.344 4.340 0.000 0.000 0.202 382 Q C 2.776 178.816 176.000 0.068 0.000 0.980 382 Q CA 0.887 56.725 55.803 0.058 0.000 0.840 382 Q CB -0.311 28.460 28.738 0.054 0.000 0.898 382 Q HN 0.575 nan 8.270 nan 0.000 0.424 383 I N 0.980 121.617 120.570 0.112 0.000 2.286 383 I HA -0.281 3.889 4.170 0.000 0.000 0.248 383 I C 2.608 178.774 176.117 0.081 0.000 1.115 383 I CA 1.191 62.566 61.300 0.125 0.000 1.392 383 I CB -0.211 37.904 38.000 0.193 0.000 1.065 383 I HN 0.181 nan 8.210 nan 0.000 0.418 384 K N 1.375 121.804 120.400 0.048 0.000 2.057 384 K HA -0.159 4.161 4.320 0.000 0.000 0.206 384 K C 2.190 178.735 176.600 -0.091 0.000 1.050 384 K CA 1.427 57.649 56.287 -0.108 0.000 0.935 384 K CB -0.105 32.157 32.500 -0.395 0.000 0.715 384 K HN 0.264 nan 8.250 nan 0.000 0.439 385 A N 1.112 123.903 122.820 -0.048 0.000 1.902 385 A HA -0.187 4.133 4.320 0.000 0.000 0.217 385 A C 2.031 179.591 177.584 -0.040 0.000 1.181 385 A CA 1.445 53.455 52.037 -0.044 0.000 0.623 385 A CB -0.452 18.534 19.000 -0.024 0.000 0.818 385 A HN 0.487 nan 8.150 nan 0.000 0.443 386 Q N -0.674 119.112 119.800 -0.023 0.000 2.020 386 Q HA -0.152 4.188 4.340 0.000 0.000 0.198 386 Q C 1.638 177.594 176.000 -0.074 0.000 0.974 386 Q CA 1.393 57.170 55.803 -0.043 0.000 0.829 386 Q CB -0.218 28.516 28.738 -0.005 0.000 0.894 386 Q HN 0.554 nan 8.270 nan 0.000 0.433 387 D N 0.736 121.149 120.400 0.022 0.000 2.123 387 D HA -0.159 4.481 4.640 0.000 0.000 0.196 387 D C 1.386 177.730 176.300 0.073 0.000 0.992 387 D CA 1.203 55.281 54.000 0.130 0.000 0.833 387 D CB -0.217 40.691 40.800 0.179 0.000 0.954 387 D HN 0.157 nan 8.370 nan 0.000 0.455 388 D N -0.068 120.339 120.400 0.012 0.000 2.097 388 D HA -0.095 4.545 4.640 0.000 0.000 0.195 388 D C 1.998 178.313 176.300 0.026 0.000 0.989 388 D CA 1.456 55.471 54.000 0.026 0.000 0.827 388 D CB -0.428 40.352 40.800 -0.034 0.000 0.966 388 D HN 0.163 nan 8.370 nan 0.000 0.456 389 A N 0.499 123.293 122.820 -0.045 0.000 1.858 389 A HA -0.122 4.198 4.320 0.000 0.000 0.216 389 A C 2.365 179.872 177.584 -0.129 0.000 1.190 389 A CA 1.123 53.116 52.037 -0.073 0.000 0.617 389 A CB -0.843 18.105 19.000 -0.086 0.000 0.827 389 A HN 0.230 nan 8.150 nan 0.000 0.443 390 L N -2.268 118.790 121.223 -0.275 0.000 2.217 390 L HA -0.093 4.247 4.340 0.000 0.000 0.211 390 L C 2.497 179.186 176.870 -0.301 0.000 1.107 390 L CA 1.199 55.759 54.840 -0.467 0.000 0.783 390 L CB -0.534 40.880 42.059 -1.074 0.000 0.919 390 L HN 0.610 nan 8.230 nan 0.000 0.442 391 Y N 1.108 121.305 120.300 -0.171 0.000 2.200 391 Y HA -0.278 4.272 4.550 0.000 0.000 0.290 391 Y C 2.446 178.364 175.900 0.031 0.000 1.137 391 Y CA 1.979 60.133 58.100 0.090 0.000 1.163 391 Y CB -0.098 38.461 38.460 0.164 0.000 0.988 391 Y HN 0.193 nan 8.280 nan 0.000 0.518 392 N N -0.479 118.193 118.700 -0.046 0.000 2.309 392 N HA -0.163 4.577 4.740 0.000 0.000 0.182 392 N C 1.551 176.972 175.510 -0.147 0.000 1.018 392 N CA 1.792 54.773 53.050 -0.115 0.000 0.876 392 N CB -0.002 38.486 38.487 0.000 0.000 0.972 392 N HN 0.562 nan 8.380 nan 0.000 0.434 393 Q N -1.436 118.286 119.800 -0.131 0.000 2.477 393 Q HA 0.078 4.418 4.340 0.000 0.000 0.252 393 Q C -0.105 175.835 176.000 -0.099 0.000 0.869 393 Q CA -0.056 55.685 55.803 -0.103 0.000 0.969 393 Q CB 0.585 29.270 28.738 -0.088 0.000 1.144 393 Q HN 0.342 nan 8.270 nan 0.000 0.577 394 Q N 2.779 122.516 119.800 -0.106 0.000 2.368 394 Q HA 0.270 4.610 4.340 0.000 0.000 0.256 394 Q C -2.433 173.555 176.000 -0.020 0.000 0.980 394 Q CA -2.305 53.465 55.803 -0.055 0.000 0.887 394 Q CB 1.031 29.742 28.738 -0.045 0.000 1.221 394 Q HN -0.118 nan 8.270 nan 0.000 0.458 395 P HA 0.080 nan 4.420 nan 0.000 0.268 395 P C 0.436 177.751 177.300 0.025 0.000 1.205 395 P CA 1.081 64.165 63.100 -0.026 0.000 0.771 395 P CB 0.965 32.647 31.700 -0.029 0.000 0.858 396 G N 1.349 110.170 108.800 0.035 0.000 2.157 396 G HA2 -0.294 3.666 3.960 0.000 0.000 0.248 396 G HA3 -0.294 3.666 3.960 0.000 0.000 0.248 396 G C -0.157 174.774 174.900 0.051 0.000 0.979 396 G CA -0.128 44.998 45.100 0.043 0.000 0.650 396 G HN 0.608 nan 8.290 nan 0.000 0.529 397 Y N 1.764 122.059 120.300 -0.007 0.000 2.465 397 Y HA 0.480 5.030 4.550 0.000 0.000 0.331 397 Y C 0.624 176.552 175.900 0.046 0.000 1.102 397 Y CA -0.307 57.808 58.100 0.024 0.000 1.358 397 Y CB 0.620 39.111 38.460 0.052 0.000 1.213 397 Y HN 0.614 nan 8.280 nan 0.000 0.525 398 A N 8.134 130.487 122.820 -0.779 0.000 2.269 398 A HA 0.426 4.746 4.320 0.000 0.000 0.302 398 A C 0.040 177.161 177.584 -0.772 0.000 1.266 398 A CA -0.775 50.893 52.037 -0.614 0.000 0.894 398 A CB 0.036 18.769 19.000 -0.444 0.000 1.147 398 A HN 0.904 nan 8.150 nan 0.000 0.537 399 R N 1.561 121.896 120.500 -0.275 0.000 2.590 399 R HA 0.133 4.473 4.340 0.000 0.000 0.274 399 R C 0.725 177.043 176.300 0.029 0.000 1.061 399 R CA 0.020 56.112 56.100 -0.013 0.000 1.081 399 R CB 0.749 31.144 30.300 0.159 0.000 0.984 399 R HN 0.789 nan 8.270 nan 0.000 0.448 400 R N 1.941 122.480 120.500 0.065 0.000 2.173 400 R HA 0.152 4.492 4.340 0.000 0.000 0.208 400 R C 0.787 177.153 176.300 0.111 0.000 1.035 400 R CA 0.806 56.951 56.100 0.076 0.000 1.004 400 R CB 0.098 30.449 30.300 0.086 0.000 0.917 400 R HN 0.565 nan 8.270 nan 0.000 0.462 401 I N -3.412 117.188 120.570 0.051 0.000 3.102 401 I HA 0.363 4.533 4.170 0.000 0.000 0.310 401 I C -1.096 174.737 176.117 -0.473 0.000 1.246 401 I CA -1.435 59.816 61.300 -0.081 0.000 0.979 401 I CB 2.025 39.986 38.000 -0.065 0.000 1.267 401 I HN -0.289 nan 8.210 nan 0.000 0.451 402 K N 2.713 122.693 120.400 -0.699 0.000 2.451 402 K HA 0.279 4.599 4.320 0.000 0.000 0.280 402 K C -2.281 174.114 176.600 -0.342 0.000 1.020 402 K CA -0.953 54.744 56.287 -0.984 0.000 1.008 402 K CB 0.295 32.658 32.500 -0.227 0.000 0.917 402 K HN 0.371 nan 8.250 nan 0.000 0.478 403 P HA -0.070 nan 4.420 nan 0.000 0.264 403 P C -1.023 176.294 177.300 0.029 0.000 1.179 403 P CA 0.451 63.471 63.100 -0.133 0.000 0.763 403 P CB 0.181 31.812 31.700 -0.115 0.000 0.806 404 F N 1.089 120.987 119.950 -0.087 0.000 2.692 404 F HA 0.741 5.268 4.527 0.000 0.000 0.320 404 F C -1.171 174.595 175.800 -0.056 0.000 1.123 404 F CA -1.512 56.441 58.000 -0.079 0.000 0.961 404 F CB 0.850 39.778 39.000 -0.120 0.000 1.383 404 F HN 0.204 nan 8.300 nan 0.000 0.483 405 V N -0.309 119.717 119.914 0.188 0.000 2.815 405 V HA 0.490 4.610 4.120 0.000 0.000 0.314 405 V C 0.152 176.402 176.094 0.259 0.000 1.064 405 V CA -0.817 61.534 62.300 0.084 0.000 0.952 405 V CB 1.544 33.396 31.823 0.049 0.000 1.020 405 V HN 0.914 nan 8.190 nan 0.000 0.439 406 N N 2.766 121.591 118.700 0.209 0.000 2.364 406 N HA -0.074 4.666 4.740 0.000 0.000 0.183 406 N C 1.822 177.509 175.510 0.296 0.000 1.022 406 N CA 1.596 54.862 53.050 0.359 0.000 0.883 406 N CB -0.225 38.423 38.487 0.268 0.000 0.965 406 N HN 1.013 nan 8.380 nan 0.000 0.438 407 G N 0.983 109.881 108.800 0.163 0.000 2.479 407 G HA2 -0.218 3.742 3.960 0.000 0.000 0.220 407 G HA3 -0.218 3.742 3.960 0.000 0.000 0.220 407 G C 1.032 175.977 174.900 0.076 0.000 1.115 407 G CA 0.588 45.756 45.100 0.112 0.000 0.757 407 G HN 0.235 nan 8.290 nan 0.000 0.560 408 D N -0.478 119.925 120.400 0.006 0.000 2.371 408 D HA -0.029 4.611 4.640 0.000 0.000 0.221 408 D C 1.526 177.692 176.300 -0.224 0.000 0.986 408 D CA 0.272 54.181 54.000 -0.152 0.000 0.899 408 D CB -0.180 40.456 40.800 -0.274 0.000 0.902 408 D HN 0.661 nan 8.370 nan 0.000 0.530 409 W N 1.240 122.534 121.300 -0.011 0.000 3.003 409 W HA 0.009 4.669 4.660 0.000 0.000 0.257 409 W C 1.191 177.693 176.519 -0.028 0.000 1.308 409 W CA 0.023 57.345 57.345 -0.038 0.000 1.529 409 W CB -0.054 29.390 29.460 -0.028 0.000 1.115 409 W HN -0.179 nan 8.180 nan 0.000 0.659 410 T N -2.218 112.443 114.554 0.179 0.000 2.813 410 T HA 0.093 4.443 4.350 0.000 0.000 0.297 410 T C -1.557 173.182 174.700 0.064 0.000 1.036 410 T CA -1.304 60.859 62.100 0.106 0.000 1.044 410 T CB 1.242 70.153 68.868 0.072 0.000 0.993 410 T HN -0.269 nan 8.240 nan 0.000 0.535 411 P HA 0.059 nan 4.420 nan 0.000 0.216 411 P C 1.320 178.626 177.300 0.010 0.000 1.150 411 P CA 1.796 64.909 63.100 0.021 0.000 0.837 411 P CB -0.664 31.045 31.700 0.015 0.000 0.786 412 G N -0.624 108.184 108.800 0.014 0.000 2.566 412 G HA2 -0.343 3.618 3.960 0.000 0.000 0.280 412 G HA3 -0.343 3.618 3.960 0.000 0.000 0.280 412 G C 0.400 175.308 174.900 0.013 0.000 1.225 412 G CA 0.464 45.571 45.100 0.010 0.000 0.966 412 G HN 0.222 nan 8.290 nan 0.000 0.560 413 M N 1.788 121.399 119.600 0.018 0.000 2.652 413 M HA 0.264 4.745 4.480 0.000 0.000 0.226 413 M C 2.184 178.504 176.300 0.033 0.000 1.244 413 M CA 1.281 56.600 55.300 0.032 0.000 0.986 413 M CB -0.438 32.193 32.600 0.051 0.000 1.666 413 M HN 0.547 nan 8.290 nan 0.000 0.460 414 T N -0.194 114.368 114.554 0.013 0.000 2.699 414 T HA -0.210 4.140 4.350 0.000 0.000 0.268 414 T C 1.937 176.629 174.700 -0.013 0.000 1.036 414 T CA 1.783 63.883 62.100 -0.000 0.000 1.147 414 T CB -0.200 68.660 68.868 -0.012 0.000 0.862 414 T HN 0.602 nan 8.240 nan 0.000 0.446 415 A N 1.073 123.885 122.820 -0.012 0.000 1.933 415 A HA -0.169 4.151 4.320 0.000 0.000 0.218 415 A C 2.306 179.873 177.584 -0.028 0.000 1.175 415 A CA 1.574 53.597 52.037 -0.024 0.000 0.628 415 A CB -0.584 18.406 19.000 -0.016 0.000 0.814 415 A HN 0.413 nan 8.150 nan 0.000 0.444 416 Q N -0.230 119.567 119.800 -0.005 0.000 2.079 416 Q HA 0.071 4.411 4.340 0.000 0.000 0.200 416 Q C 2.323 178.282 176.000 -0.067 0.000 0.974 416 Q CA 1.818 57.622 55.803 0.000 0.000 0.840 416 Q CB -0.680 28.099 28.738 0.068 0.000 0.898 416 Q HN 0.630 nan 8.270 nan 0.000 0.430 417 A N 0.210 122.999 122.820 -0.052 0.000 1.933 417 A HA -0.119 4.201 4.320 0.000 0.000 0.218 417 A C 2.029 179.488 177.584 -0.208 0.000 1.175 417 A CA 1.078 53.015 52.037 -0.166 0.000 0.628 417 A CB -0.652 18.338 19.000 -0.017 0.000 0.814 417 A HN 0.341 nan 8.150 nan 0.000 0.444 418 L N -1.042 120.102 121.223 -0.132 0.000 2.093 418 L HA -0.144 4.196 4.340 0.000 0.000 0.208 418 L C 3.063 179.840 176.870 -0.155 0.000 1.085 418 L CA 0.892 55.648 54.840 -0.139 0.000 0.755 418 L CB -0.499 41.501 42.059 -0.099 0.000 0.904 418 L HN 0.453 nan 8.230 nan 0.000 0.435 419 A N -0.168 122.574 122.820 -0.130 0.000 1.840 419 A HA -0.132 4.188 4.320 0.000 0.000 0.214 419 A C 2.321 179.828 177.584 -0.128 0.000 1.198 419 A CA 1.465 53.439 52.037 -0.105 0.000 0.608 419 A CB -0.895 18.065 19.000 -0.067 0.000 0.839 419 A HN 0.106 nan 8.150 nan 0.000 0.443 420 V N 0.360 120.171 119.914 -0.172 0.000 2.236 420 V HA -0.364 3.756 4.120 0.000 0.000 0.255 420 V C 2.609 178.527 176.094 -0.293 0.000 1.068 420 V CA 2.462 64.639 62.300 -0.205 0.000 1.044 420 V CB -0.904 30.679 31.823 -0.400 0.000 0.653 420 V HN 0.588 nan 8.190 nan 0.000 0.448 421 L N -0.272 120.656 121.223 -0.491 0.000 2.191 421 L HA -0.144 4.196 4.340 0.000 0.000 0.212 421 L C 2.631 179.269 176.870 -0.386 0.000 1.103 421 L CA 1.274 55.675 54.840 -0.733 0.000 0.769 421 L CB -0.748 40.959 42.059 -0.586 0.000 0.908 421 L HN 0.393 nan 8.230 nan 0.000 0.438 422 A N 0.031 122.722 122.820 -0.215 0.000 2.024 422 A HA -0.221 4.099 4.320 0.000 0.000 0.220 422 A C 2.324 179.868 177.584 -0.067 0.000 1.164 422 A CA 2.133 54.099 52.037 -0.117 0.000 0.643 422 A CB -0.878 18.068 19.000 -0.089 0.000 0.806 422 A HN 0.521 nan 8.150 nan 0.000 0.451 423 T N -4.434 110.102 114.554 -0.031 0.000 3.148 423 T HA 0.106 4.456 4.350 0.000 0.000 0.253 423 T C 0.962 175.537 174.700 -0.207 0.000 1.134 423 T CA 0.297 62.378 62.100 -0.032 0.000 1.051 423 T CB -0.533 68.350 68.868 0.024 0.000 0.959 423 T HN 0.180 nan 8.240 nan 0.000 0.525 424 F N 2.933 122.589 119.950 -0.491 0.000 2.802 424 F HA 0.189 4.716 4.527 0.000 0.000 0.300 424 F C 2.281 177.844 175.800 -0.396 0.000 1.168 424 F CA 0.189 57.795 58.000 -0.656 0.000 1.433 424 F CB -0.478 38.349 39.000 -0.289 0.000 1.115 424 F HN 0.406 nan 8.300 nan 0.000 0.582 425 T N -3.181 111.312 114.554 -0.101 0.000 3.054 425 T HA 0.576 4.926 4.350 0.000 0.000 0.255 425 T C 0.923 175.617 174.700 -0.009 0.000 1.035 425 T CA 0.229 62.311 62.100 -0.031 0.000 0.941 425 T CB -0.213 68.646 68.868 -0.015 0.000 1.026 425 T HN 0.043 nan 8.240 nan 0.000 0.533 426 A N 0.000 122.801 122.820 -0.032 0.000 2.254 426 A HA 0.000 4.320 4.320 0.000 0.000 0.244 426 A CA 0.000 52.066 52.037 0.048 0.000 0.836 426 A CB 0.000 19.023 19.000 0.039 0.000 0.831 426 A HN 0.000 nan 8.150 nan 0.000 0.486