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 2d4w_1_B DATA FIRST_RESID 2 DATA SEQUENCE ADYVLAIDQG TTSSRAIVFD HSGEIYSTGQ LEHDQIFPRA GWVEHNPEQI DATA SEQUENCE WNNVREVVGL ALTRGNLTHE DIAAVGITNQ RETAVVWDKT TGKPVYNAIV DATA SEQUENCE WQDTRTQKIV DELGGDEGAE KYKSIVGLPL ATYFSGPKIK WILDNVEGAR DATA SEQUENCE EKAEKGDLLF GNTDTWVLWN MTGGTEGGVH VTDVTNASRT MLMDLDTLSW DATA SEQUENCE REDIAADMGI PLSMLPDIRS SSEVYGHGRP RGLVPGVPIA GILGDQQAAT DATA SEQUENCE FGQACFEVGQ AKNTYGTGNF LLLNTGTEKV MSKNGLLTTV CYKIGDAPAV DATA SEQUENCE YALEGSIAVT GSLVQWLRDN LGMFEDAPDV EWLAGKVQDN GGAYFVPAFS DATA SEQUENCE GLFAPYWRPD ARGALVGLTR YVNRNHIARA ALEATAFQSR EVVDAMNADS DATA SEQUENCE GVDLTELRVD GGMVANELLM QFQADQLGVD VVRPKVAETT ALGAAYAAGI DATA SEQUENCE AVGFWKGEQD VIDNWAEDKR WSPSMESGER ERLYRNWKKA VTKTMEWVDE DATA SEQUENCE DVE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.621 177.584 0.061 0.000 1.274 2 A CA 0.000 52.064 52.037 0.045 0.000 0.836 2 A CB 0.000 19.027 19.000 0.044 0.000 0.831 3 D N 0.607 120.996 120.400 -0.018 0.000 2.395 3 D HA 0.276 4.917 4.640 0.000 0.000 0.213 3 D C -0.691 175.369 176.300 -0.400 0.000 1.110 3 D CA 1.129 55.015 54.000 -0.190 0.000 0.835 3 D CB 0.228 40.722 40.800 -0.509 0.000 0.965 3 D HN 0.528 nan 8.370 nan 0.000 0.505 4 Y N -0.763 119.500 120.300 -0.062 0.000 2.576 4 Y HA 0.502 5.052 4.550 0.000 0.000 0.346 4 Y C -0.146 175.464 175.900 -0.483 0.000 1.018 4 Y CA -1.190 56.782 58.100 -0.214 0.000 1.050 4 Y CB 1.939 40.311 38.460 -0.146 0.000 1.280 4 Y HN -0.424 nan 8.280 nan 0.000 0.474 5 V N 3.202 122.975 119.914 -0.234 0.000 2.444 5 V HA 0.306 4.427 4.120 0.000 0.000 0.294 5 V C -0.957 175.194 176.094 0.095 0.000 1.022 5 V CA -0.738 61.453 62.300 -0.182 0.000 0.850 5 V CB 1.628 33.323 31.823 -0.214 0.000 0.992 5 V HN 0.542 nan 8.190 nan 0.000 0.426 6 L N 5.551 126.813 121.223 0.066 0.000 2.319 6 L HA 0.765 5.105 4.340 0.000 0.000 0.280 6 L C 0.366 177.316 176.870 0.133 0.000 1.099 6 L CA 0.203 55.097 54.840 0.089 0.000 0.828 6 L CB 0.787 42.874 42.059 0.047 0.000 1.150 6 L HN 0.746 nan 8.230 nan 0.000 0.442 7 A N 6.814 129.739 122.820 0.175 0.000 2.288 7 A HA 0.716 5.036 4.320 0.000 0.000 0.320 7 A C -0.573 177.083 177.584 0.119 0.000 1.217 7 A CA -0.508 51.641 52.037 0.188 0.000 0.840 7 A CB 0.299 19.495 19.000 0.327 0.000 1.179 7 A HN 0.720 nan 8.150 nan 0.000 0.504 8 I N 2.305 122.936 120.570 0.102 0.000 2.339 8 I HA 0.247 4.417 4.170 0.000 0.000 0.290 8 I C -0.652 175.518 176.117 0.088 0.000 0.994 8 I CA -0.381 60.967 61.300 0.079 0.000 1.191 8 I CB 1.738 39.781 38.000 0.072 0.000 1.343 8 I HN 0.552 nan 8.210 nan 0.000 0.458 9 D N 6.776 127.226 120.400 0.085 0.000 2.460 9 D HA 0.065 4.705 4.640 0.000 0.000 0.232 9 D C -0.503 175.852 176.300 0.091 0.000 1.079 9 D CA -0.337 53.717 54.000 0.090 0.000 0.864 9 D CB 1.080 41.935 40.800 0.092 0.000 1.048 9 D HN 0.303 nan 8.370 nan 0.000 0.523 10 Q N 3.201 123.060 119.800 0.097 0.000 2.571 10 Q HA 0.383 4.723 4.340 0.000 0.000 0.222 10 Q C -0.080 176.005 176.000 0.141 0.000 1.167 10 Q CA -0.543 55.325 55.803 0.108 0.000 0.966 10 Q CB 0.667 29.468 28.738 0.105 0.000 1.274 10 Q HN 0.611 nan 8.270 nan 0.000 0.552 11 G N 1.391 110.294 108.800 0.172 0.000 2.525 11 G HA2 0.205 4.165 3.960 0.000 0.000 0.287 11 G HA3 0.205 4.165 3.960 0.000 0.000 0.287 11 G C 0.728 175.810 174.900 0.303 0.000 1.350 11 G CA -0.093 45.127 45.100 0.201 0.000 1.039 11 G HN 0.498 nan 8.290 nan 0.000 0.513 12 T N -0.337 114.410 114.554 0.321 0.000 2.708 12 T HA -0.120 4.231 4.350 0.000 0.000 0.266 12 T C 2.481 177.278 174.700 0.162 0.000 1.037 12 T CA 2.356 64.706 62.100 0.418 0.000 1.146 12 T CB -0.312 68.859 68.868 0.504 0.000 0.865 12 T HN 0.695 nan 8.240 nan 0.000 0.435 13 T N -1.299 113.245 114.554 -0.017 0.000 2.971 13 T HA 0.334 4.684 4.350 0.000 0.000 0.252 13 T C 0.704 175.122 174.700 -0.469 0.000 1.022 13 T CA 0.077 61.984 62.100 -0.321 0.000 0.980 13 T CB 0.238 69.049 68.868 -0.096 0.000 1.044 13 T HN 0.407 nan 8.240 nan 0.000 0.501 14 S N 0.147 115.773 115.700 -0.124 0.000 2.638 14 S HA 0.763 5.233 4.470 0.000 0.000 0.274 14 S C -1.201 173.516 174.600 0.196 0.000 1.157 14 S CA -0.803 57.411 58.200 0.023 0.000 0.826 14 S CB 2.004 65.209 63.200 0.008 0.000 1.139 14 S HN 0.161 nan 8.310 nan 0.000 0.474 15 S N 0.910 116.714 115.700 0.173 0.000 2.503 15 S HA 0.810 5.280 4.470 0.000 0.000 0.301 15 S C -0.521 174.117 174.600 0.063 0.000 1.087 15 S CA -1.000 57.268 58.200 0.114 0.000 1.042 15 S CB 1.259 64.507 63.200 0.080 0.000 1.043 15 S HN 0.873 nan 8.310 nan 0.000 0.489 16 R N 0.495 121.026 120.500 0.052 0.000 2.771 16 R HA 0.830 5.170 4.340 0.000 0.000 0.274 16 R C -1.630 174.682 176.300 0.020 0.000 0.987 16 R CA -0.975 55.141 56.100 0.026 0.000 0.908 16 R CB 1.431 31.747 30.300 0.025 0.000 1.213 16 R HN 0.610 nan 8.270 nan 0.000 0.468 17 A N 4.140 126.957 122.820 -0.006 0.000 2.318 17 A HA 0.671 4.991 4.320 0.000 0.000 0.324 17 A C -0.618 176.938 177.584 -0.048 0.000 1.170 17 A CA -0.948 51.083 52.037 -0.010 0.000 0.810 17 A CB 0.814 19.802 19.000 -0.020 0.000 1.198 17 A HN 0.680 nan 8.150 nan 0.000 0.484 18 I N 2.582 123.116 120.570 -0.060 0.000 2.498 18 I HA 0.350 4.520 4.170 0.000 0.000 0.290 18 I C -0.867 175.097 176.117 -0.256 0.000 1.032 18 I CA -0.943 60.221 61.300 -0.227 0.000 1.073 18 I CB 2.237 40.027 38.000 -0.350 0.000 1.251 18 I HN 0.309 nan 8.210 nan 0.000 0.426 19 V N 6.396 126.146 119.914 -0.274 0.000 2.370 19 V HA 0.433 4.553 4.120 0.000 0.000 0.279 19 V C -0.429 175.575 176.094 -0.149 0.000 1.029 19 V CA -0.357 61.877 62.300 -0.109 0.000 0.870 19 V CB 1.034 32.820 31.823 -0.062 0.000 0.984 19 V HN 0.394 nan 8.190 nan 0.000 0.451 20 F N 2.699 122.782 119.950 0.220 0.000 2.523 20 F HA 0.600 5.127 4.527 0.000 0.000 0.329 20 F C 0.413 176.443 175.800 0.383 0.000 1.061 20 F CA -0.801 57.376 58.000 0.294 0.000 0.967 20 F CB 1.727 40.895 39.000 0.280 0.000 1.218 20 F HN 0.658 nan 8.300 nan 0.000 0.480 21 D N -1.418 119.340 120.400 0.597 0.000 2.549 21 D HA 0.137 4.778 4.640 0.000 0.000 0.270 21 D C 0.755 177.376 176.300 0.535 0.000 1.181 21 D CA -0.323 53.914 54.000 0.395 0.000 1.070 21 D CB 0.008 40.931 40.800 0.204 0.000 1.154 21 D HN 0.640 nan 8.370 nan 0.000 0.602 22 H N -1.198 118.019 119.070 0.244 0.000 2.489 22 H HA -0.016 4.540 4.556 0.000 0.000 0.295 22 H C 0.885 176.449 175.328 0.393 0.000 1.082 22 H CA 1.826 57.895 56.048 0.036 0.000 1.295 22 H CB 0.189 29.693 29.762 -0.429 0.000 1.380 22 H HN 0.224 nan 8.280 nan 0.000 0.548 23 S N -1.033 114.895 115.700 0.381 0.000 2.605 23 S HA 0.201 4.672 4.470 0.000 0.000 0.217 23 S C 1.451 176.241 174.600 0.317 0.000 0.958 23 S CA 0.418 58.804 58.200 0.310 0.000 0.919 23 S CB 0.476 63.811 63.200 0.226 0.000 0.780 23 S HN 0.793 nan 8.310 nan 0.000 0.507 24 G N 1.883 110.953 108.800 0.450 0.000 2.162 24 G HA2 -0.255 3.705 3.960 0.000 0.000 0.260 24 G HA3 -0.255 3.705 3.960 0.000 0.000 0.260 24 G C -0.235 174.906 174.900 0.402 0.000 0.976 24 G CA -0.079 45.233 45.100 0.353 0.000 0.655 24 G HN 0.544 nan 8.290 nan 0.000 0.533 25 E N -0.457 119.993 120.200 0.417 0.000 2.373 25 E HA 0.486 4.836 4.350 0.000 0.000 0.263 25 E C 0.590 177.452 176.600 0.436 0.000 1.073 25 E CA -0.605 56.017 56.400 0.370 0.000 0.894 25 E CB 1.072 30.935 29.700 0.272 0.000 1.008 25 E HN 0.366 nan 8.360 nan 0.000 0.420 26 I N 3.020 123.735 120.570 0.242 0.000 2.379 26 I HA -0.037 4.133 4.170 0.000 0.000 0.290 26 I C 0.284 176.450 176.117 0.082 0.000 1.063 26 I CA 0.161 61.460 61.300 -0.001 0.000 1.351 26 I CB 0.180 38.138 38.000 -0.071 0.000 1.410 26 I HN 0.646 nan 8.210 nan 0.000 0.505 27 Y N 6.003 126.265 120.300 -0.062 0.000 2.239 27 Y HA 0.051 4.601 4.550 0.000 0.000 0.293 27 Y C 1.116 176.950 175.900 -0.110 0.000 1.126 27 Y CA 0.489 58.566 58.100 -0.038 0.000 1.128 27 Y CB 0.504 38.946 38.460 -0.029 0.000 1.066 27 Y HN 0.629 nan 8.280 nan 0.000 0.516 28 S N -1.429 114.236 115.700 -0.059 0.000 2.588 28 S HA 0.636 5.106 4.470 0.000 0.000 0.275 28 S C -0.670 173.852 174.600 -0.130 0.000 1.130 28 S CA -0.524 57.595 58.200 -0.136 0.000 0.855 28 S CB 2.294 65.425 63.200 -0.114 0.000 1.116 28 S HN 0.166 nan 8.310 nan 0.000 0.472 29 T N -0.635 113.850 114.554 -0.115 0.000 2.821 29 T HA 0.794 5.144 4.350 0.000 0.000 0.306 29 T C -0.966 173.691 174.700 -0.073 0.000 1.313 29 T CA -0.130 61.909 62.100 -0.101 0.000 1.012 29 T CB 1.508 70.316 68.868 -0.102 0.000 1.298 29 T HN 1.556 nan 8.240 nan 0.000 0.502 30 G N 1.455 110.221 108.800 -0.057 0.000 2.753 30 G HA2 0.616 4.576 3.960 0.000 0.000 0.297 30 G HA3 0.616 4.576 3.960 0.000 0.000 0.297 30 G C -1.946 172.936 174.900 -0.029 0.000 1.430 30 G CA -0.372 44.701 45.100 -0.045 0.000 1.040 30 G HN 0.717 nan 8.290 nan 0.000 0.530 31 Q N 1.029 120.816 119.800 -0.022 0.000 2.345 31 Q HA 0.734 5.074 4.340 0.000 0.000 0.275 31 Q C -1.818 174.180 176.000 -0.005 0.000 1.063 31 Q CA -0.760 55.039 55.803 -0.006 0.000 0.819 31 Q CB 2.483 31.221 28.738 -0.000 0.000 1.356 31 Q HN 0.520 nan 8.270 nan 0.000 0.418 32 L N 2.302 123.531 121.223 0.009 0.000 2.482 32 L HA 0.475 4.815 4.340 0.000 0.000 0.263 32 L C -0.623 176.268 176.870 0.035 0.000 0.957 32 L CA -0.769 54.078 54.840 0.011 0.000 0.836 32 L CB 2.405 44.467 42.059 0.004 0.000 1.324 32 L HN 0.665 nan 8.230 nan 0.000 0.406 33 E N 2.239 122.440 120.200 0.002 0.000 2.345 33 E HA 0.328 4.678 4.350 0.000 0.000 0.259 33 E C -1.107 175.490 176.600 -0.004 0.000 1.117 33 E CA -0.550 55.818 56.400 -0.053 0.000 0.913 33 E CB 1.133 30.787 29.700 -0.077 0.000 1.057 33 E HN 0.498 nan 8.360 nan 0.000 0.432 34 H N -0.801 118.225 119.070 -0.074 0.000 2.865 34 H HA 0.334 4.890 4.556 0.000 0.000 0.372 34 H C -1.060 174.209 175.328 -0.098 0.000 1.173 34 H CA -1.057 54.935 56.048 -0.092 0.000 1.147 34 H CB 0.837 30.522 29.762 -0.128 0.000 1.805 34 H HN 0.247 nan 8.280 nan 0.000 0.553 35 D N 1.931 122.349 120.400 0.029 0.000 2.424 35 D HA 0.043 4.683 4.640 0.000 0.000 0.244 35 D C 0.177 176.462 176.300 -0.025 0.000 1.134 35 D CA -0.080 53.904 54.000 -0.027 0.000 0.881 35 D CB 0.836 41.628 40.800 -0.013 0.000 1.191 35 D HN 0.307 nan 8.370 nan 0.000 0.445 36 Q N 1.976 121.703 119.800 -0.123 0.000 2.406 36 Q HA 0.337 4.677 4.340 0.000 0.000 0.242 36 Q C 0.006 175.578 176.000 -0.713 0.000 1.036 36 Q CA -0.254 55.390 55.803 -0.265 0.000 0.904 36 Q CB 0.788 29.407 28.738 -0.199 0.000 1.244 36 Q HN 0.428 nan 8.270 nan 0.000 0.478 37 I N 2.681 122.915 120.570 -0.561 0.000 2.342 37 I HA 0.244 4.414 4.170 0.000 0.000 0.291 37 I C -0.180 175.556 176.117 -0.634 0.000 1.010 37 I CA -0.319 60.685 61.300 -0.494 0.000 1.308 37 I CB 0.424 38.309 38.000 -0.190 0.000 1.400 37 I HN 0.371 nan 8.210 nan 0.000 0.488 38 F N 6.892 126.867 119.950 0.041 0.000 2.453 38 F HA 0.336 4.863 4.527 0.000 0.000 0.358 38 F C -1.535 174.289 175.800 0.040 0.000 1.129 38 F CA -1.386 56.642 58.000 0.046 0.000 1.200 38 F CB 0.431 39.441 39.000 0.018 0.000 1.431 38 F HN 0.385 nan 8.300 nan 0.000 0.503 39 P HA -0.041 nan 4.420 nan 0.000 0.221 39 P C 0.198 177.480 177.300 -0.029 0.000 1.150 39 P CA 0.969 64.139 63.100 0.117 0.000 0.800 39 P CB 0.454 32.291 31.700 0.228 0.000 0.787 40 R N -1.559 118.889 120.500 -0.087 0.000 2.764 40 R HA 0.676 5.016 4.340 0.000 0.000 0.270 40 R C -1.247 174.913 176.300 -0.233 0.000 1.014 40 R CA -0.933 54.921 56.100 -0.410 0.000 0.904 40 R CB 1.441 30.944 30.300 -1.329 0.000 1.236 40 R HN -0.118 nan 8.270 nan 0.000 0.466 41 A N 0.838 123.511 122.820 -0.244 0.000 2.524 41 A HA 0.404 4.724 4.320 0.000 0.000 0.250 41 A C 1.133 178.703 177.584 -0.024 0.000 1.078 41 A CA 1.178 53.144 52.037 -0.118 0.000 0.761 41 A CB -0.545 18.391 19.000 -0.106 0.000 1.012 41 A HN 1.124 nan 8.150 nan 0.000 0.500 42 G N 1.206 110.039 108.800 0.055 0.000 2.225 42 G HA2 -0.232 3.728 3.960 0.000 0.000 0.254 42 G HA3 -0.232 3.728 3.960 0.000 0.000 0.254 42 G C -0.093 174.984 174.900 0.296 0.000 0.988 42 G CA 0.336 45.517 45.100 0.134 0.000 0.625 42 G HN 0.757 nan 8.290 nan 0.000 0.527 43 W N 0.452 121.738 121.300 -0.025 0.000 2.316 43 W HA 0.650 5.310 4.660 -0.000 0.000 0.311 43 W C 0.063 176.621 176.519 0.065 0.000 1.217 43 W CA -1.056 56.267 57.345 -0.037 0.000 1.199 43 W CB 1.320 30.757 29.460 -0.039 0.000 1.202 43 W HN 0.203 nan 8.180 nan 0.000 0.528 44 V N 3.847 123.828 119.914 0.111 0.000 2.569 44 V HA 0.413 4.533 4.120 0.000 0.000 0.301 44 V C -0.382 175.587 176.094 -0.208 0.000 1.044 44 V CA -1.169 61.134 62.300 0.005 0.000 0.874 44 V CB 1.479 33.270 31.823 -0.053 0.000 1.002 44 V HN 0.481 nan 8.190 nan 0.000 0.424 45 E N 2.469 122.514 120.200 -0.258 0.000 2.416 45 E HA 0.681 5.032 4.350 0.000 0.000 0.273 45 E C -1.475 174.976 176.600 -0.249 0.000 0.935 45 E CA -1.002 55.238 56.400 -0.266 0.000 0.784 45 E CB 2.890 32.511 29.700 -0.132 0.000 1.301 45 E HN 0.811 nan 8.360 nan 0.000 0.454 46 H N 0.001 119.026 119.070 -0.074 0.000 2.747 46 H HA 0.287 4.843 4.556 0.000 0.000 0.371 46 H C -0.733 174.551 175.328 -0.073 0.000 1.161 46 H CA -1.191 54.837 56.048 -0.033 0.000 1.167 46 H CB 1.595 31.375 29.762 0.030 0.000 1.732 46 H HN 0.248 nan 8.280 nan 0.000 0.544 47 N N 2.831 121.585 118.700 0.091 0.000 2.439 47 N HA 0.076 4.817 4.740 0.000 0.000 0.243 47 N C -2.082 173.437 175.510 0.015 0.000 1.088 47 N CA -2.259 50.800 53.050 0.014 0.000 0.940 47 N CB 0.975 39.477 38.487 0.024 0.000 1.180 47 N HN 0.364 nan 8.380 nan 0.000 0.505 48 P HA -0.104 nan 4.420 nan 0.000 0.218 48 P C 0.843 178.301 177.300 0.265 0.000 1.148 48 P CA 0.991 64.025 63.100 -0.109 0.000 0.822 48 P CB 0.510 31.837 31.700 -0.621 0.000 0.784 49 E N -0.594 119.732 120.200 0.209 0.000 2.107 49 E HA -0.171 4.179 4.350 0.000 0.000 0.191 49 E C 2.040 178.782 176.600 0.237 0.000 0.982 49 E CA 0.879 57.466 56.400 0.312 0.000 0.809 49 E CB -0.480 29.347 29.700 0.212 0.000 0.756 49 E HN 0.390 nan 8.360 nan 0.000 0.459 50 Q N 0.253 120.133 119.800 0.134 0.000 2.079 50 Q HA -0.083 4.258 4.340 0.000 0.000 0.200 50 Q C 2.286 178.322 176.000 0.060 0.000 0.974 50 Q CA 0.889 56.739 55.803 0.078 0.000 0.840 50 Q CB -0.021 28.752 28.738 0.060 0.000 0.898 50 Q HN 0.248 nan 8.270 nan 0.000 0.430 51 I N 0.116 120.720 120.570 0.057 0.000 2.226 51 I HA -0.285 3.885 4.170 0.000 0.000 0.245 51 I C 2.216 178.423 176.117 0.150 0.000 1.100 51 I CA 1.180 62.472 61.300 -0.013 0.000 1.374 51 I CB -0.490 37.476 38.000 -0.056 0.000 1.057 51 I HN 0.561 nan 8.210 nan 0.000 0.413 52 W N 2.209 123.564 121.300 0.092 0.000 2.379 52 W HA -0.217 4.443 4.660 0.000 0.000 0.307 52 W C 2.199 178.700 176.519 -0.031 0.000 1.200 52 W CA 1.117 58.458 57.345 -0.007 0.000 1.297 52 W CB -0.284 29.154 29.460 -0.036 0.000 1.140 52 W HN 0.152 nan 8.180 nan 0.000 0.507 53 N N 1.184 119.714 118.700 -0.284 0.000 2.104 53 N HA -0.208 4.532 4.740 0.000 0.000 0.190 53 N C 1.187 176.503 175.510 -0.322 0.000 1.024 53 N CA 1.783 54.596 53.050 -0.396 0.000 0.853 53 N CB -1.005 37.398 38.487 -0.139 0.000 1.008 53 N HN 0.202 nan 8.380 nan 0.000 0.424 54 N N 0.456 119.054 118.700 -0.169 0.000 2.166 54 N HA -0.073 4.667 4.740 0.000 0.000 0.186 54 N C 1.818 177.236 175.510 -0.153 0.000 1.019 54 N CA 0.447 53.427 53.050 -0.116 0.000 0.856 54 N CB -0.478 37.994 38.487 -0.025 0.000 0.993 54 N HN 0.035 nan 8.380 nan 0.000 0.426 55 V N 1.195 120.997 119.914 -0.186 0.000 2.407 55 V HA -0.168 3.952 4.120 0.000 0.000 0.248 55 V C 2.272 178.194 176.094 -0.288 0.000 1.055 55 V CA 1.443 63.643 62.300 -0.166 0.000 1.049 55 V CB -0.296 31.503 31.823 -0.041 0.000 0.662 55 V HN 0.277 nan 8.190 nan 0.000 0.455 56 R N -0.316 119.852 120.500 -0.553 0.000 2.075 56 R HA -0.167 4.173 4.340 0.000 0.000 0.232 56 R C 2.391 178.522 176.300 -0.281 0.000 1.126 56 R CA 1.645 57.442 56.100 -0.505 0.000 0.963 56 R CB -0.271 29.598 30.300 -0.719 0.000 0.858 56 R HN 0.580 nan 8.270 nan 0.000 0.435 57 E N 0.567 120.616 120.200 -0.252 0.000 2.077 57 E HA -0.162 4.188 4.350 0.000 0.000 0.193 57 E C 1.975 178.508 176.600 -0.113 0.000 0.989 57 E CA 1.577 57.882 56.400 -0.158 0.000 0.800 57 E CB 0.171 29.791 29.700 -0.134 0.000 0.746 57 E HN 0.275 nan 8.360 nan 0.000 0.452 58 V N -1.855 117.996 119.914 -0.105 0.000 2.548 58 V HA -0.131 3.989 4.120 0.000 0.000 0.249 58 V C 2.225 178.279 176.094 -0.066 0.000 1.055 58 V CA 1.149 63.407 62.300 -0.070 0.000 1.065 58 V CB -0.473 31.322 31.823 -0.046 0.000 0.681 58 V HN 0.076 nan 8.190 nan 0.000 0.462 59 V N 2.048 121.914 119.914 -0.079 0.000 2.343 59 V HA -0.098 4.022 4.120 0.000 0.000 0.247 59 V C 2.940 179.000 176.094 -0.057 0.000 1.051 59 V CA 2.376 64.641 62.300 -0.059 0.000 1.036 59 V CB -1.479 30.307 31.823 -0.061 0.000 0.654 59 V HN 0.638 nan 8.190 nan 0.000 0.451 60 G N -0.519 108.237 108.800 -0.073 0.000 2.418 60 G HA2 -0.218 3.742 3.960 0.000 0.000 0.217 60 G HA3 -0.218 3.742 3.960 0.000 0.000 0.217 60 G C 1.616 176.484 174.900 -0.053 0.000 1.158 60 G CA 0.977 46.040 45.100 -0.060 0.000 0.771 60 G HN 0.449 nan 8.290 nan 0.000 0.545 61 L N 0.617 121.805 121.223 -0.058 0.000 1.994 61 L HA -0.040 4.300 4.340 0.000 0.000 0.208 61 L C 3.432 180.269 176.870 -0.054 0.000 1.071 61 L CA 1.186 55.993 54.840 -0.054 0.000 0.745 61 L CB -0.391 41.635 42.059 -0.054 0.000 0.892 61 L HN 0.294 nan 8.230 nan 0.000 0.431 62 A N -0.200 122.587 122.820 -0.056 0.000 1.940 62 A HA -0.179 4.141 4.320 0.000 0.000 0.219 62 A C 2.236 179.789 177.584 -0.053 0.000 1.176 62 A CA 1.519 53.520 52.037 -0.060 0.000 0.631 62 A CB -0.721 18.242 19.000 -0.061 0.000 0.814 62 A HN 0.379 nan 8.150 nan 0.000 0.446 63 L N -1.145 120.052 121.223 -0.044 0.000 2.056 63 L HA -0.133 4.207 4.340 0.000 0.000 0.207 63 L C 2.809 179.658 176.870 -0.034 0.000 1.078 63 L CA 1.705 56.522 54.840 -0.038 0.000 0.749 63 L CB -0.887 41.158 42.059 -0.023 0.000 0.901 63 L HN 0.335 nan 8.230 nan 0.000 0.433 64 T N -0.628 113.905 114.554 -0.036 0.000 2.701 64 T HA -0.167 4.183 4.350 0.000 0.000 0.263 64 T C 2.028 176.703 174.700 -0.041 0.000 1.040 64 T CA 1.201 63.281 62.100 -0.034 0.000 1.147 64 T CB -0.147 68.700 68.868 -0.035 0.000 0.865 64 T HN 0.232 nan 8.240 nan 0.000 0.426 65 R N 0.326 120.793 120.500 -0.055 0.000 2.159 65 R HA -0.025 4.315 4.340 0.000 0.000 0.237 65 R C 2.443 178.685 176.300 -0.097 0.000 1.131 65 R CA 1.181 57.236 56.100 -0.075 0.000 0.982 65 R CB -0.286 29.962 30.300 -0.086 0.000 0.868 65 R HN 0.400 nan 8.270 nan 0.000 0.453 66 G N -0.763 107.995 108.800 -0.070 0.000 3.088 66 G HA2 -0.073 3.887 3.960 0.000 0.000 0.217 66 G HA3 -0.073 3.887 3.960 0.000 0.000 0.217 66 G C 0.066 175.004 174.900 0.063 0.000 1.159 66 G CA -0.356 44.724 45.100 -0.032 0.000 0.760 66 G HN 0.291 nan 8.290 nan 0.000 0.550 67 N N -0.592 118.111 118.700 0.005 0.000 2.740 67 N HA -0.126 4.614 4.740 0.000 0.000 0.248 67 N C -0.336 175.176 175.510 0.004 0.000 1.062 67 N CA 0.568 53.624 53.050 0.010 0.000 0.704 67 N CB -1.023 37.479 38.487 0.026 0.000 0.968 67 N HN 0.301 nan 8.380 nan 0.000 0.547 68 L N -0.043 121.165 121.223 -0.025 0.000 2.322 68 L HA 0.593 4.933 4.340 0.000 0.000 0.269 68 L C 1.071 177.913 176.870 -0.047 0.000 1.012 68 L CA -0.577 54.225 54.840 -0.063 0.000 0.815 68 L CB 1.997 43.970 42.059 -0.144 0.000 1.295 68 L HN 0.131 nan 8.230 nan 0.000 0.438 69 T N -4.271 110.245 114.554 -0.065 0.000 2.907 69 T HA 0.259 4.609 4.350 0.000 0.000 0.290 69 T C 0.801 175.444 174.700 -0.095 0.000 1.066 69 T CA -0.487 61.565 62.100 -0.080 0.000 1.012 69 T CB 1.130 69.898 68.868 -0.167 0.000 1.184 69 T HN 0.782 nan 8.240 nan 0.000 0.522 70 H N -0.660 118.411 119.070 0.002 0.000 2.518 70 H HA -0.015 4.541 4.556 0.000 0.000 0.294 70 H C 1.543 176.882 175.328 0.018 0.000 1.083 70 H CA 1.781 57.835 56.048 0.009 0.000 1.264 70 H CB -0.323 29.446 29.762 0.011 0.000 1.370 70 H HN 0.636 nan 8.280 nan 0.000 0.560 71 E N 0.428 120.396 120.200 -0.385 0.000 2.150 71 E HA -0.104 4.246 4.350 0.000 0.000 0.193 71 E C 1.305 177.876 176.600 -0.048 0.000 0.985 71 E CA 1.153 57.431 56.400 -0.205 0.000 0.814 71 E CB -0.001 29.550 29.700 -0.249 0.000 0.752 71 E HN 0.630 nan 8.360 nan 0.000 0.466 72 D N -0.289 120.098 120.400 -0.021 0.000 2.347 72 D HA -0.040 4.600 4.640 0.000 0.000 0.213 72 D C -0.014 176.354 176.300 0.112 0.000 0.985 72 D CA 0.274 54.323 54.000 0.081 0.000 0.879 72 D CB 0.391 41.254 40.800 0.105 0.000 0.919 72 D HN 0.142 nan 8.370 nan 0.000 0.526 73 I N 1.631 122.235 120.570 0.057 0.000 2.301 73 I HA 0.121 4.291 4.170 0.000 0.000 0.292 73 I C 1.412 177.532 176.117 0.004 0.000 1.046 73 I CA -0.504 60.818 61.300 0.037 0.000 1.282 73 I CB 0.686 38.713 38.000 0.045 0.000 1.409 73 I HN -0.194 nan 8.210 nan 0.000 0.484 74 A N 5.512 128.283 122.820 -0.083 0.000 1.968 74 A HA 0.470 4.790 4.320 0.000 0.000 0.217 74 A C 1.049 178.596 177.584 -0.061 0.000 1.169 74 A CA 1.225 53.212 52.037 -0.083 0.000 0.638 74 A CB 0.139 19.024 19.000 -0.191 0.000 0.812 74 A HN 0.822 nan 8.150 nan 0.000 0.446 75 A N -2.393 120.373 122.820 -0.089 0.000 2.586 75 A HA 0.556 4.876 4.320 0.000 0.000 0.291 75 A C -1.360 176.225 177.584 0.001 0.000 1.062 75 A CA -0.320 51.701 52.037 -0.027 0.000 0.666 75 A CB 0.552 19.542 19.000 -0.017 0.000 1.281 75 A HN 0.516 nan 8.150 nan 0.000 0.421 76 V N 0.555 120.490 119.914 0.036 0.000 2.555 76 V HA 0.773 4.893 4.120 0.000 0.000 0.302 76 V C 0.692 176.841 176.094 0.092 0.000 1.038 76 V CA 0.135 62.474 62.300 0.064 0.000 0.887 76 V CB 1.753 33.613 31.823 0.063 0.000 0.991 76 V HN 1.479 nan 8.190 nan 0.000 0.434 77 G N 3.828 112.694 108.800 0.110 0.000 2.448 77 G HA2 0.807 4.767 3.960 0.000 0.000 0.324 77 G HA3 0.807 4.767 3.960 0.000 0.000 0.324 77 G C -1.214 173.750 174.900 0.108 0.000 1.203 77 G CA -0.562 44.610 45.100 0.121 0.000 0.954 77 G HN 0.586 nan 8.290 nan 0.000 0.480 78 I N 0.724 121.351 120.570 0.096 0.000 2.498 78 I HA 0.471 4.641 4.170 0.000 0.000 0.290 78 I C -0.223 175.933 176.117 0.064 0.000 1.032 78 I CA -0.596 60.750 61.300 0.076 0.000 1.073 78 I CB 2.759 40.791 38.000 0.054 0.000 1.251 78 I HN 0.493 nan 8.210 nan 0.000 0.426 79 T N 5.627 120.223 114.554 0.070 0.000 2.906 79 T HA 0.600 4.950 4.350 0.000 0.000 0.295 79 T C -1.484 173.257 174.700 0.069 0.000 1.061 79 T CA -0.638 61.499 62.100 0.062 0.000 1.000 79 T CB 1.307 70.214 68.868 0.065 0.000 1.103 79 T HN 0.819 nan 8.240 nan 0.000 0.486 80 N N 2.143 120.882 118.700 0.064 0.000 2.591 80 N HA 0.245 4.985 4.740 0.000 0.000 0.263 80 N C -1.208 174.346 175.510 0.074 0.000 1.308 80 N CA -0.891 52.209 53.050 0.085 0.000 0.837 80 N CB 1.480 40.025 38.487 0.096 0.000 1.548 80 N HN 0.819 nan 8.380 nan 0.000 0.493 81 Q N 0.600 120.469 119.800 0.116 0.000 2.315 81 Q HA 0.216 4.556 4.340 0.000 0.000 0.289 81 Q C -0.364 175.692 176.000 0.095 0.000 1.044 81 Q CA 0.073 55.942 55.803 0.110 0.000 0.920 81 Q CB 0.923 29.841 28.738 0.299 0.000 1.214 81 Q HN 0.388 nan 8.270 nan 0.000 0.392 82 R N 1.502 121.987 120.500 -0.026 0.000 2.546 82 R HA 0.108 4.448 4.340 0.000 0.000 0.266 82 R C 0.047 176.433 176.300 0.144 0.000 1.086 82 R CA -0.369 55.753 56.100 0.037 0.000 1.160 82 R CB 0.429 30.713 30.300 -0.028 0.000 1.138 82 R HN 0.920 nan 8.270 nan 0.000 0.567 83 E N -1.441 118.895 120.200 0.227 0.000 4.145 83 E HA -0.246 4.104 4.350 0.000 0.000 0.296 83 E C -0.471 176.323 176.600 0.323 0.000 0.666 83 E CA 1.952 58.543 56.400 0.317 0.000 1.214 83 E CB -1.154 28.750 29.700 0.340 0.000 1.679 83 E HN 0.596 nan 8.360 nan 0.000 0.406 84 T N 0.668 115.417 114.554 0.326 0.000 2.908 84 T HA 0.349 4.699 4.350 0.000 0.000 0.301 84 T C 0.067 174.911 174.700 0.240 0.000 1.019 84 T CA 0.598 62.857 62.100 0.265 0.000 1.152 84 T CB 0.806 69.846 68.868 0.286 0.000 0.966 84 T HN 0.360 nan 8.240 nan 0.000 0.540 85 A N 3.541 126.490 122.820 0.215 0.000 2.318 85 A HA 0.693 5.013 4.320 0.000 0.000 0.324 85 A C -0.554 177.138 177.584 0.180 0.000 1.170 85 A CA -0.662 51.563 52.037 0.314 0.000 0.810 85 A CB 0.992 20.207 19.000 0.357 0.000 1.198 85 A HN 0.667 nan 8.150 nan 0.000 0.484 86 V N 2.692 122.705 119.914 0.165 0.000 2.487 86 V HA 0.531 4.651 4.120 0.000 0.000 0.298 86 V C -0.497 175.731 176.094 0.224 0.000 1.028 86 V CA -0.575 61.756 62.300 0.051 0.000 0.860 86 V CB 1.553 33.245 31.823 -0.219 0.000 0.991 86 V HN 0.628 nan 8.190 nan 0.000 0.427 87 V N 4.993 125.003 119.914 0.160 0.000 2.444 87 V HA 0.637 4.757 4.120 0.000 0.000 0.294 87 V C -0.740 175.428 176.094 0.123 0.000 1.022 87 V CA -0.458 61.908 62.300 0.111 0.000 0.850 87 V CB 1.487 33.354 31.823 0.073 0.000 0.992 87 V HN 1.050 nan 8.190 nan 0.000 0.426 88 W N 3.094 124.288 121.300 -0.177 0.000 3.029 88 W HA 0.711 5.371 4.660 0.000 0.000 0.339 88 W C -0.932 175.488 176.519 -0.165 0.000 1.198 88 W CA -0.976 56.257 57.345 -0.186 0.000 1.148 88 W CB 0.944 30.262 29.460 -0.237 0.000 1.451 88 W HN 0.427 nan 8.180 nan 0.000 0.564 89 D N 2.338 122.791 120.400 0.088 0.000 2.325 89 D HA 0.024 4.664 4.640 0.000 0.000 0.251 89 D C 1.008 177.352 176.300 0.073 0.000 1.196 89 D CA -0.070 53.938 54.000 0.014 0.000 0.866 89 D CB 1.381 42.233 40.800 0.086 0.000 1.101 89 D HN 0.642 nan 8.370 nan 0.000 0.476 90 K N 1.674 122.019 120.400 -0.091 0.000 2.525 90 K HA -0.068 4.252 4.320 0.000 0.000 0.192 90 K C 1.032 177.771 176.600 0.232 0.000 1.029 90 K CA 0.895 57.204 56.287 0.037 0.000 1.029 90 K CB 0.035 32.465 32.500 -0.116 0.000 0.814 90 K HN 0.347 nan 8.250 nan 0.000 0.503 91 T N -2.794 111.855 114.554 0.160 0.000 3.023 91 T HA -0.015 4.335 4.350 0.000 0.000 0.249 91 T C 1.876 176.683 174.700 0.179 0.000 1.050 91 T CA 0.800 62.992 62.100 0.153 0.000 1.088 91 T CB 0.202 69.122 68.868 0.087 0.000 0.946 91 T HN 0.313 nan 8.240 nan 0.000 0.480 92 T N -2.620 112.055 114.554 0.202 0.000 2.969 92 T HA 0.475 4.825 4.350 0.000 0.000 0.250 92 T C 1.924 176.790 174.700 0.277 0.000 1.021 92 T CA 0.789 63.005 62.100 0.194 0.000 1.003 92 T CB -0.226 68.729 68.868 0.145 0.000 1.040 92 T HN 1.002 nan 8.240 nan 0.000 0.492 93 G N 1.703 110.741 108.800 0.398 0.000 2.143 93 G HA2 -0.251 3.709 3.960 0.000 0.000 0.248 93 G HA3 -0.251 3.709 3.960 0.000 0.000 0.248 93 G C -0.110 175.010 174.900 0.367 0.000 0.991 93 G CA 0.355 45.764 45.100 0.515 0.000 0.689 93 G HN 0.815 nan 8.290 nan 0.000 0.522 94 K N 1.029 121.601 120.400 0.287 0.000 2.183 94 K HA 0.507 4.827 4.320 0.000 0.000 0.274 94 K C -2.321 174.388 176.600 0.182 0.000 1.009 94 K CA -2.235 54.176 56.287 0.207 0.000 0.888 94 K CB 1.644 34.233 32.500 0.148 0.000 1.078 94 K HN -0.017 nan 8.250 nan 0.000 0.459 95 P HA -0.086 nan 4.420 nan 0.000 0.267 95 P C 0.714 178.058 177.300 0.074 0.000 1.200 95 P CA -0.187 62.935 63.100 0.038 0.000 0.772 95 P CB 0.580 32.209 31.700 -0.117 0.000 0.855 96 V N -0.220 119.752 119.914 0.096 0.000 3.129 96 V HA 0.173 4.293 4.120 0.000 0.000 0.259 96 V C 0.323 176.536 176.094 0.199 0.000 1.116 96 V CA 0.908 63.276 62.300 0.113 0.000 1.127 96 V CB -1.347 30.526 31.823 0.084 0.000 0.742 96 V HN 0.509 nan 8.190 nan 0.000 0.474 97 Y N -0.693 119.622 120.300 0.025 0.000 2.750 97 Y HA 0.455 5.006 4.550 0.000 0.000 0.335 97 Y C -0.391 175.503 175.900 -0.010 0.000 1.252 97 Y CA -1.149 56.976 58.100 0.041 0.000 1.064 97 Y CB 0.976 39.495 38.460 0.098 0.000 1.321 97 Y HN -0.047 nan 8.280 nan 0.000 0.451 98 N N 1.296 119.747 118.700 -0.414 0.000 2.399 98 N HA 0.436 5.176 4.740 0.000 0.000 0.250 98 N C -0.765 174.748 175.510 0.006 0.000 1.272 98 N CA 0.489 53.409 53.050 -0.217 0.000 0.928 98 N CB 1.044 39.337 38.487 -0.323 0.000 1.158 98 N HN 0.728 nan 8.380 nan 0.000 0.463 99 A N 1.609 124.389 122.820 -0.066 0.000 2.488 99 A HA 0.226 4.546 4.320 0.000 0.000 0.249 99 A C 0.438 177.989 177.584 -0.056 0.000 1.083 99 A CA -0.048 51.961 52.037 -0.046 0.000 0.768 99 A CB -0.371 18.594 19.000 -0.058 0.000 1.017 99 A HN 0.605 nan 8.150 nan 0.000 0.496 100 I N 3.903 124.449 120.570 -0.041 0.000 2.312 100 I HA 0.157 4.327 4.170 0.000 0.000 0.291 100 I C 0.007 176.044 176.117 -0.133 0.000 1.031 100 I CA -0.472 60.744 61.300 -0.139 0.000 1.293 100 I CB 1.192 39.070 38.000 -0.203 0.000 1.403 100 I HN 0.344 nan 8.210 nan 0.000 0.484 101 V N 6.537 126.304 119.914 -0.245 0.000 3.051 101 V HA -0.023 4.097 4.120 0.000 0.000 0.306 101 V C 1.254 177.268 176.094 -0.134 0.000 1.083 101 V CA -0.329 61.817 62.300 -0.257 0.000 1.104 101 V CB 0.923 32.412 31.823 -0.557 0.000 1.027 101 V HN 0.919 nan 8.190 nan 0.000 0.483 102 W N 2.252 123.555 121.300 0.005 0.000 2.350 102 W HA -0.222 4.437 4.660 -0.000 0.000 0.289 102 W C 1.488 178.049 176.519 0.070 0.000 1.215 102 W CA 1.310 58.685 57.345 0.050 0.000 1.236 102 W CB -0.752 28.765 29.460 0.096 0.000 1.130 102 W HN 0.809 nan 8.180 nan 0.000 0.541 103 Q N 1.061 120.526 119.800 -0.559 0.000 2.482 103 Q HA -0.008 4.332 4.340 0.000 0.000 0.209 103 Q C 0.517 176.365 176.000 -0.252 0.000 0.961 103 Q CA 0.593 56.110 55.803 -0.476 0.000 0.945 103 Q CB -0.382 27.790 28.738 -0.943 0.000 1.012 103 Q HN 0.144 nan 8.270 nan 0.000 0.515 104 D N 2.200 122.458 120.400 -0.238 0.000 2.390 104 D HA -0.020 4.620 4.640 0.000 0.000 0.249 104 D C 0.193 176.363 176.300 -0.216 0.000 1.144 104 D CA 0.465 54.340 54.000 -0.208 0.000 0.880 104 D CB 1.341 41.969 40.800 -0.287 0.000 1.182 104 D HN 0.245 nan 8.370 nan 0.000 0.451 105 T N 0.924 115.385 114.554 -0.155 0.000 3.214 105 T HA 0.077 4.427 4.350 0.000 0.000 0.264 105 T C 1.476 176.100 174.700 -0.126 0.000 1.012 105 T CA -0.586 61.422 62.100 -0.155 0.000 0.901 105 T CB -0.033 68.773 68.868 -0.103 0.000 1.070 105 T HN 0.520 nan 8.240 nan 0.000 0.561 106 R N 1.325 121.677 120.500 -0.246 0.000 2.235 106 R HA -0.036 4.304 4.340 0.000 0.000 0.213 106 R C 1.190 177.391 176.300 -0.165 0.000 1.059 106 R CA 1.363 57.325 56.100 -0.229 0.000 0.997 106 R CB -1.261 28.541 30.300 -0.830 0.000 0.884 106 R HN 0.447 nan 8.270 nan 0.000 0.462 107 T N -1.854 112.586 114.554 -0.190 0.000 3.324 107 T HA 0.040 4.390 4.350 0.000 0.000 0.250 107 T C 1.319 176.002 174.700 -0.027 0.000 1.059 107 T CA 0.001 62.053 62.100 -0.080 0.000 0.951 107 T CB 0.564 69.374 68.868 -0.097 0.000 1.030 107 T HN 0.136 nan 8.240 nan 0.000 0.576 108 Q N 1.993 121.779 119.800 -0.023 0.000 2.079 108 Q HA 0.032 4.373 4.340 0.000 0.000 0.200 108 Q C 2.200 178.213 176.000 0.021 0.000 0.974 108 Q CA 1.576 57.372 55.803 -0.010 0.000 0.840 108 Q CB -0.151 28.579 28.738 -0.013 0.000 0.898 108 Q HN 0.518 nan 8.270 nan 0.000 0.430 109 K N -0.087 120.338 120.400 0.041 0.000 2.002 109 K HA -0.119 4.201 4.320 0.000 0.000 0.209 109 K C 2.153 178.780 176.600 0.045 0.000 1.048 109 K CA 1.584 57.899 56.287 0.047 0.000 0.930 109 K CB -0.346 32.192 32.500 0.063 0.000 0.714 109 K HN 0.268 nan 8.250 nan 0.000 0.438 110 I N 0.814 121.418 120.570 0.057 0.000 2.194 110 I HA -0.320 3.850 4.170 0.000 0.000 0.246 110 I C 2.333 178.482 176.117 0.053 0.000 1.093 110 I CA 1.212 62.544 61.300 0.054 0.000 1.355 110 I CB -0.229 37.812 38.000 0.068 0.000 1.046 110 I HN 0.005 nan 8.210 nan 0.000 0.413 111 V N 0.604 120.549 119.914 0.051 0.000 2.358 111 V HA -0.285 3.835 4.120 0.000 0.000 0.246 111 V C 2.057 178.184 176.094 0.055 0.000 1.047 111 V CA 1.988 64.326 62.300 0.064 0.000 1.035 111 V CB -0.534 31.320 31.823 0.052 0.000 0.658 111 V HN 0.392 nan 8.190 nan 0.000 0.452 112 D N 0.036 120.459 120.400 0.039 0.000 2.104 112 D HA -0.196 4.444 4.640 0.000 0.000 0.194 112 D C 2.208 178.522 176.300 0.024 0.000 0.994 112 D CA 1.785 55.803 54.000 0.029 0.000 0.830 112 D CB -0.202 40.612 40.800 0.024 0.000 0.959 112 D HN 0.774 nan 8.370 nan 0.000 0.452 113 E N 0.406 120.622 120.200 0.027 0.000 2.285 113 E HA -0.059 4.291 4.350 0.000 0.000 0.194 113 E C 2.294 178.909 176.600 0.026 0.000 0.997 113 E CA 0.188 56.601 56.400 0.021 0.000 0.845 113 E CB -0.441 29.270 29.700 0.019 0.000 0.782 113 E HN 0.240 nan 8.360 nan 0.000 0.491 114 L N 1.162 122.412 121.223 0.046 0.000 2.131 114 L HA -0.067 4.273 4.340 0.000 0.000 0.210 114 L C 2.545 179.435 176.870 0.033 0.000 1.092 114 L CA 1.349 56.233 54.840 0.073 0.000 0.759 114 L CB -0.404 41.736 42.059 0.136 0.000 0.903 114 L HN 0.361 nan 8.230 nan 0.000 0.435 115 G N -1.301 107.500 108.800 0.000 0.000 2.572 115 G HA2 0.175 4.135 3.960 0.000 0.000 0.216 115 G HA3 0.175 4.135 3.960 0.000 0.000 0.216 115 G C 1.151 176.011 174.900 -0.068 0.000 1.133 115 G CA 0.559 45.617 45.100 -0.070 0.000 0.791 115 G HN 0.545 nan 8.290 nan 0.000 0.538 116 G N 1.256 110.038 108.800 -0.031 0.000 2.651 116 G HA2 -0.390 3.570 3.960 0.000 0.000 0.315 116 G HA3 -0.390 3.570 3.960 0.000 0.000 0.315 116 G C 0.870 175.751 174.900 -0.032 0.000 1.258 116 G CA 0.735 45.819 45.100 -0.026 0.000 1.002 116 G HN 0.378 nan 8.290 nan 0.000 0.551 117 D N 0.652 121.031 120.400 -0.035 0.000 2.348 117 D HA 0.052 4.692 4.640 0.000 0.000 0.211 117 D C 1.895 178.169 176.300 -0.043 0.000 0.998 117 D CA 0.945 54.925 54.000 -0.032 0.000 0.873 117 D CB 0.362 41.146 40.800 -0.027 0.000 0.925 117 D HN 0.651 nan 8.370 nan 0.000 0.524 118 E N 0.651 120.813 120.200 -0.064 0.000 2.230 118 E HA 0.165 4.515 4.350 0.000 0.000 0.192 118 E C 1.045 177.600 176.600 -0.075 0.000 0.987 118 E CA 0.488 56.840 56.400 -0.079 0.000 0.841 118 E CB 0.407 30.035 29.700 -0.120 0.000 0.783 118 E HN 0.262 nan 8.360 nan 0.000 0.481 119 G N -0.182 108.576 108.800 -0.070 0.000 2.545 119 G HA2 -0.279 3.681 3.960 0.000 0.000 0.216 119 G HA3 -0.279 3.681 3.960 0.000 0.000 0.216 119 G C 0.623 175.492 174.900 -0.051 0.000 1.314 119 G CA -0.097 44.975 45.100 -0.046 0.000 0.906 119 G HN 0.334 nan 8.290 nan 0.000 0.563 120 A N -1.204 121.609 122.820 -0.011 0.000 2.016 120 A HA 0.275 4.595 4.320 0.000 0.000 0.217 120 A C 1.775 179.370 177.584 0.017 0.000 1.162 120 A CA 2.189 54.239 52.037 0.023 0.000 0.662 120 A CB -0.257 18.778 19.000 0.060 0.000 0.812 120 A HN 0.589 nan 8.150 nan 0.000 0.450 121 E N 0.035 120.228 120.200 -0.012 0.000 2.476 121 E HA -0.014 4.336 4.350 0.000 0.000 0.191 121 E C 1.342 177.897 176.600 -0.075 0.000 1.064 121 E CA 0.163 56.554 56.400 -0.015 0.000 0.866 121 E CB -0.118 29.576 29.700 -0.010 0.000 0.952 121 E HN 0.728 nan 8.360 nan 0.000 0.492 122 K N 0.394 120.686 120.400 -0.180 0.000 2.052 122 K HA -0.214 4.106 4.320 0.000 0.000 0.215 122 K C 1.079 177.474 176.600 -0.342 0.000 1.053 122 K CA 1.709 57.777 56.287 -0.364 0.000 0.934 122 K CB -0.092 31.994 32.500 -0.690 0.000 0.717 122 K HN 0.218 nan 8.250 nan 0.000 0.450 123 Y N -0.540 119.764 120.300 0.006 0.000 2.462 123 Y HA 0.081 4.632 4.550 0.000 0.000 0.261 123 Y C 1.893 177.785 175.900 -0.013 0.000 1.146 123 Y CA -0.160 57.939 58.100 -0.002 0.000 1.283 123 Y CB 0.309 38.770 38.460 0.001 0.000 1.090 123 Y HN 0.035 nan 8.280 nan 0.000 0.526 124 K N 1.495 121.954 120.400 0.099 0.000 2.144 124 K HA -0.253 4.067 4.320 0.000 0.000 0.209 124 K C 2.099 178.718 176.600 0.031 0.000 1.047 124 K CA 2.138 58.456 56.287 0.052 0.000 0.927 124 K CB -0.391 32.126 32.500 0.029 0.000 0.716 124 K HN 0.298 nan 8.250 nan 0.000 0.454 125 S N -0.908 114.809 115.700 0.028 0.000 2.481 125 S HA -0.002 4.468 4.470 0.000 0.000 0.231 125 S C 1.856 176.461 174.600 0.008 0.000 0.996 125 S CA 0.883 59.087 58.200 0.007 0.000 0.942 125 S CB -0.316 62.885 63.200 0.000 0.000 0.768 125 S HN 0.369 nan 8.310 nan 0.000 0.520 126 I N 1.149 121.742 120.570 0.038 0.000 2.947 126 I HA 0.069 4.239 4.170 0.000 0.000 0.263 126 I C 2.293 178.418 176.117 0.014 0.000 1.130 126 I CA 0.749 62.068 61.300 0.032 0.000 1.448 126 I CB 0.034 38.076 38.000 0.070 0.000 1.222 126 I HN 0.341 nan 8.210 nan 0.000 0.453 127 V N -1.768 118.160 119.914 0.023 0.000 3.565 127 V HA 0.497 4.617 4.120 0.000 0.000 0.260 127 V C 1.427 177.498 176.094 -0.037 0.000 1.231 127 V CA 0.608 62.902 62.300 -0.010 0.000 1.100 127 V CB -0.150 31.658 31.823 -0.024 0.000 0.807 127 V HN 0.558 nan 8.190 nan 0.000 0.454 128 G N 0.787 109.570 108.800 -0.029 0.000 2.159 128 G HA2 -0.212 3.749 3.960 0.000 0.000 0.256 128 G HA3 -0.212 3.749 3.960 0.000 0.000 0.256 128 G C -0.207 174.654 174.900 -0.066 0.000 0.977 128 G CA 0.494 45.573 45.100 -0.036 0.000 0.652 128 G HN 0.636 nan 8.290 nan 0.000 0.531 129 L N 0.979 122.137 121.223 -0.109 0.000 2.408 129 L HA 0.538 4.878 4.340 0.000 0.000 0.268 129 L C -2.154 174.694 176.870 -0.036 0.000 0.986 129 L CA -2.487 52.224 54.840 -0.214 0.000 0.820 129 L CB 2.673 44.347 42.059 -0.641 0.000 1.303 129 L HN -0.118 nan 8.230 nan 0.000 0.411 130 P HA 0.178 nan 4.420 nan 0.000 0.274 130 P C -0.708 176.751 177.300 0.265 0.000 1.246 130 P CA -0.423 62.783 63.100 0.176 0.000 0.795 130 P CB 0.957 32.789 31.700 0.221 0.000 1.006 131 L N 0.928 122.288 121.223 0.228 0.000 2.410 131 L HA 0.463 4.803 4.340 0.000 0.000 0.273 131 L C 0.731 177.758 176.870 0.262 0.000 1.152 131 L CA 0.415 55.412 54.840 0.261 0.000 0.855 131 L CB -0.030 42.139 42.059 0.184 0.000 1.129 131 L HN 0.558 nan 8.230 nan 0.000 0.463 132 A N 1.140 124.137 122.820 0.295 0.000 2.586 132 A HA 0.433 4.753 4.320 0.000 0.000 0.291 132 A C 0.480 178.024 177.584 -0.066 0.000 1.062 132 A CA 0.037 52.145 52.037 0.119 0.000 0.666 132 A CB 0.830 19.961 19.000 0.219 0.000 1.281 132 A HN 0.719 nan 8.150 nan 0.000 0.421 133 T N -1.714 112.645 114.554 -0.325 0.000 2.977 133 T HA -0.127 4.223 4.350 0.000 0.000 0.271 133 T C 1.323 175.786 174.700 -0.396 0.000 1.105 133 T CA 2.249 64.130 62.100 -0.365 0.000 1.116 133 T CB -0.731 67.884 68.868 -0.421 0.000 0.878 133 T HN 0.583 nan 8.240 nan 0.000 0.509 134 Y N 0.892 121.016 120.300 -0.293 0.000 2.200 134 Y HA 0.216 4.766 4.550 -0.000 0.000 0.290 134 Y C 0.867 176.567 175.900 -0.332 0.000 1.137 134 Y CA -0.192 57.660 58.100 -0.414 0.000 1.163 134 Y CB -0.444 37.493 38.460 -0.873 0.000 0.988 134 Y HN 0.165 nan 8.280 nan 0.000 0.518 135 F N -0.130 119.972 119.950 0.254 0.000 2.375 135 F HA 0.183 4.710 4.527 -0.000 0.000 0.333 135 F C 1.492 177.365 175.800 0.121 0.000 1.104 135 F CA -0.730 57.385 58.000 0.192 0.000 1.149 135 F CB 0.752 39.855 39.000 0.171 0.000 1.190 135 F HN -0.219 nan 8.300 nan 0.000 0.533 136 S N 1.477 117.374 115.700 0.328 0.000 2.356 136 S HA -0.146 4.324 4.470 0.000 0.000 0.223 136 S C 2.388 176.985 174.600 -0.006 0.000 1.032 136 S CA 1.256 59.558 58.200 0.170 0.000 1.005 136 S CB -0.846 62.509 63.200 0.259 0.000 0.867 136 S HN 0.967 nan 8.310 nan 0.000 0.449 137 G N 3.244 112.028 108.800 -0.026 0.000 2.631 137 G HA2 -0.248 3.712 3.960 0.000 0.000 0.219 137 G HA3 -0.248 3.712 3.960 0.000 0.000 0.219 137 G C -0.837 174.008 174.900 -0.092 0.000 1.214 137 G CA 1.377 46.399 45.100 -0.129 0.000 0.785 137 G HN 0.443 nan 8.290 nan 0.000 0.596 138 P HA -0.019 nan 4.420 nan 0.000 0.219 138 P C 1.627 178.927 177.300 0.001 0.000 1.146 138 P CA 1.379 64.484 63.100 0.008 0.000 0.808 138 P CB -0.014 31.712 31.700 0.044 0.000 0.779 139 K N -0.764 119.623 120.400 -0.021 0.000 2.103 139 K HA 0.000 4.320 4.320 0.000 0.000 0.204 139 K C 1.980 178.575 176.600 -0.008 0.000 1.052 139 K CA 0.994 57.263 56.287 -0.030 0.000 0.945 139 K CB -0.425 32.053 32.500 -0.038 0.000 0.722 139 K HN 0.179 nan 8.250 nan 0.000 0.443 140 I N 1.333 121.848 120.570 -0.091 0.000 2.394 140 I HA -0.249 3.922 4.170 0.000 0.000 0.251 140 I C 2.489 178.554 176.117 -0.087 0.000 1.136 140 I CA 1.047 62.269 61.300 -0.129 0.000 1.425 140 I CB -0.171 37.627 38.000 -0.336 0.000 1.079 140 I HN 0.135 nan 8.210 nan 0.000 0.425 141 K N 0.685 121.042 120.400 -0.070 0.000 2.057 141 K HA -0.252 4.068 4.320 0.000 0.000 0.206 141 K C 2.168 178.741 176.600 -0.045 0.000 1.050 141 K CA 1.524 57.772 56.287 -0.065 0.000 0.935 141 K CB -0.324 32.149 32.500 -0.046 0.000 0.715 141 K HN 0.296 nan 8.250 nan 0.000 0.439 142 W N 1.701 122.899 121.300 -0.169 0.000 2.317 142 W HA -0.219 4.441 4.660 0.000 0.000 0.318 142 W C 1.596 177.972 176.519 -0.239 0.000 1.227 142 W CA 1.987 59.209 57.345 -0.205 0.000 1.269 142 W CB -0.195 29.106 29.460 -0.265 0.000 1.155 142 W HN 0.020 nan 8.180 nan 0.000 0.484 143 I N 0.154 120.781 120.570 0.095 0.000 2.208 143 I HA -0.368 3.803 4.170 0.000 0.000 0.245 143 I C 2.379 178.355 176.117 -0.234 0.000 1.097 143 I CA 1.399 62.658 61.300 -0.068 0.000 1.363 143 I CB -0.818 37.199 38.000 0.029 0.000 1.051 143 I HN 0.075 nan 8.210 nan 0.000 0.413 144 L N 0.180 121.295 121.223 -0.181 0.000 2.056 144 L HA -0.219 4.121 4.340 0.000 0.000 0.207 144 L C 1.953 178.687 176.870 -0.227 0.000 1.078 144 L CA 1.317 56.051 54.840 -0.176 0.000 0.749 144 L CB -0.630 41.344 42.059 -0.141 0.000 0.901 144 L HN 0.255 nan 8.230 nan 0.000 0.433 145 D N -0.580 119.645 120.400 -0.291 0.000 2.317 145 D HA -0.084 4.556 4.640 0.000 0.000 0.211 145 D C 1.565 177.615 176.300 -0.417 0.000 0.966 145 D CA 0.830 54.644 54.000 -0.310 0.000 0.876 145 D CB 0.012 40.636 40.800 -0.293 0.000 0.927 145 D HN 0.387 nan 8.370 nan 0.000 0.519 146 N N -0.440 117.880 118.700 -0.634 0.000 2.210 146 N HA 0.054 4.794 4.740 0.000 0.000 0.203 146 N C -0.327 174.903 175.510 -0.467 0.000 1.175 146 N CA 0.066 52.690 53.050 -0.710 0.000 0.894 146 N CB 2.223 39.830 38.487 -1.466 0.000 1.041 146 N HN -0.069 nan 8.380 nan 0.000 0.506 147 V N 2.381 122.078 119.914 -0.362 0.000 2.435 147 V HA 0.180 4.300 4.120 0.000 0.000 0.290 147 V C 0.162 176.193 176.094 -0.105 0.000 1.030 147 V CA -0.691 61.509 62.300 -0.166 0.000 0.881 147 V CB 2.228 34.004 31.823 -0.079 0.000 0.983 147 V HN 0.000 nan 8.190 nan 0.000 0.445 148 E N 2.820 122.987 120.200 -0.055 0.000 2.366 148 E HA 0.325 4.676 4.350 0.000 0.000 0.266 148 E C 1.181 177.765 176.600 -0.028 0.000 1.015 148 E CA 1.154 57.529 56.400 -0.041 0.000 0.906 148 E CB 0.961 30.650 29.700 -0.019 0.000 0.979 148 E HN 1.035 nan 8.360 nan 0.000 0.443 149 G N 3.068 111.845 108.800 -0.038 0.000 2.225 149 G HA2 -0.383 3.577 3.960 0.000 0.000 0.254 149 G HA3 -0.383 3.577 3.960 0.000 0.000 0.254 149 G C 1.090 175.967 174.900 -0.038 0.000 0.988 149 G CA 0.824 45.906 45.100 -0.030 0.000 0.625 149 G HN 0.636 nan 8.290 nan 0.000 0.527 150 A N 0.316 123.106 122.820 -0.049 0.000 1.872 150 A HA 0.229 4.549 4.320 0.000 0.000 0.214 150 A C 2.121 179.660 177.584 -0.075 0.000 1.187 150 A CA 2.280 54.282 52.037 -0.059 0.000 0.614 150 A CB -0.462 18.498 19.000 -0.066 0.000 0.826 150 A HN 0.541 nan 8.150 nan 0.000 0.442 151 R N -0.820 119.630 120.500 -0.084 0.000 2.120 151 R HA -0.170 4.170 4.340 0.000 0.000 0.234 151 R C 2.026 178.282 176.300 -0.073 0.000 1.123 151 R CA 1.780 57.828 56.100 -0.086 0.000 0.975 151 R CB -0.103 30.142 30.300 -0.091 0.000 0.866 151 R HN 0.486 nan 8.270 nan 0.000 0.446 152 E N 0.325 120.488 120.200 -0.061 0.000 2.060 152 E HA -0.045 4.305 4.350 0.000 0.000 0.189 152 E C 1.499 178.069 176.600 -0.051 0.000 0.974 152 E CA 1.191 57.560 56.400 -0.051 0.000 0.808 152 E CB 0.166 29.841 29.700 -0.041 0.000 0.768 152 E HN 0.165 nan 8.360 nan 0.000 0.453 153 K N 0.040 120.410 120.400 -0.051 0.000 2.160 153 K HA -0.169 4.152 4.320 0.000 0.000 0.206 153 K C 1.983 178.541 176.600 -0.071 0.000 1.047 153 K CA 1.163 57.418 56.287 -0.053 0.000 0.930 153 K CB -0.157 32.312 32.500 -0.050 0.000 0.720 153 K HN 0.128 nan 8.250 nan 0.000 0.450 154 A N 1.326 124.097 122.820 -0.082 0.000 1.872 154 A HA -0.169 4.151 4.320 0.000 0.000 0.214 154 A C 1.867 179.400 177.584 -0.085 0.000 1.187 154 A CA 1.347 53.325 52.037 -0.099 0.000 0.614 154 A CB -0.320 18.617 19.000 -0.105 0.000 0.826 154 A HN 0.238 nan 8.150 nan 0.000 0.442 155 E N -0.068 120.089 120.200 -0.071 0.000 2.265 155 E HA -0.125 4.225 4.350 0.000 0.000 0.196 155 E C 1.693 178.263 176.600 -0.050 0.000 0.996 155 E CA 0.950 57.315 56.400 -0.059 0.000 0.832 155 E CB 0.082 29.751 29.700 -0.052 0.000 0.756 155 E HN 0.366 nan 8.360 nan 0.000 0.491 156 K N -1.044 119.327 120.400 -0.049 0.000 2.296 156 K HA 0.039 4.359 4.320 0.000 0.000 0.200 156 K C 1.295 177.869 176.600 -0.044 0.000 1.048 156 K CA 0.947 57.210 56.287 -0.039 0.000 0.966 156 K CB 0.377 32.857 32.500 -0.034 0.000 0.754 156 K HN 0.263 nan 8.250 nan 0.000 0.466 157 G N 2.152 110.914 108.800 -0.063 0.000 2.134 157 G HA2 -0.179 3.781 3.960 0.000 0.000 0.209 157 G HA3 -0.179 3.781 3.960 0.000 0.000 0.209 157 G C 0.017 174.864 174.900 -0.090 0.000 0.993 157 G CA 0.252 45.309 45.100 -0.072 0.000 0.669 157 G HN 0.232 nan 8.290 nan 0.000 0.519 158 D N -0.059 120.284 120.400 -0.094 0.000 2.349 158 D HA 0.275 4.915 4.640 0.000 0.000 0.214 158 D C 1.098 177.290 176.300 -0.181 0.000 1.063 158 D CA 0.126 54.064 54.000 -0.104 0.000 0.847 158 D CB 0.353 41.119 40.800 -0.057 0.000 0.933 158 D HN 0.426 nan 8.370 nan 0.000 0.513 159 L N 1.278 122.369 121.223 -0.220 0.000 2.307 159 L HA 0.461 4.801 4.340 0.000 0.000 0.284 159 L C -0.539 176.054 176.870 -0.463 0.000 1.023 159 L CA -0.573 54.082 54.840 -0.308 0.000 0.810 159 L CB 1.746 43.680 42.059 -0.208 0.000 1.231 159 L HN -0.250 nan 8.230 nan 0.000 0.423 160 L N 3.431 124.175 121.223 -0.798 0.000 2.342 160 L HA 0.531 4.871 4.340 0.000 0.000 0.271 160 L C -0.680 175.707 176.870 -0.805 0.000 1.008 160 L CA -0.592 53.622 54.840 -1.043 0.000 0.818 160 L CB 2.183 43.057 42.059 -1.975 0.000 1.296 160 L HN 0.405 nan 8.230 nan 0.000 0.427 161 F N 0.860 120.529 119.950 -0.467 0.000 2.541 161 F HA 0.913 5.440 4.527 0.000 0.000 0.331 161 F C -0.020 175.825 175.800 0.074 0.000 1.057 161 F CA -0.349 57.531 58.000 -0.200 0.000 0.975 161 F CB 2.278 41.193 39.000 -0.141 0.000 1.246 161 F HN 0.423 nan 8.300 nan 0.000 0.484 162 G N 2.709 110.679 108.800 -1.384 0.000 2.498 162 G HA2 0.163 4.123 3.960 0.000 0.000 0.301 162 G HA3 0.163 4.123 3.960 0.000 0.000 0.301 162 G C -2.033 172.440 174.900 -0.710 0.000 1.577 162 G CA -1.205 43.204 45.100 -1.152 0.000 0.868 162 G HN 0.939 nan 8.290 nan 0.000 0.599 163 N N -0.463 117.970 118.700 -0.446 0.000 2.207 163 N HA 0.206 4.946 4.740 0.000 0.000 0.223 163 N C 2.114 177.663 175.510 0.064 0.000 1.339 163 N CA 0.547 53.578 53.050 -0.032 0.000 0.889 163 N CB 0.523 39.055 38.487 0.074 0.000 1.128 163 N HN 0.665 nan 8.380 nan 0.000 0.456 164 T N -2.437 112.198 114.554 0.135 0.000 2.962 164 T HA -0.175 4.176 4.350 0.000 0.000 0.270 164 T C 1.201 175.997 174.700 0.159 0.000 1.088 164 T CA 1.251 63.471 62.100 0.201 0.000 1.127 164 T CB -0.348 68.641 68.868 0.201 0.000 0.883 164 T HN 0.624 nan 8.240 nan 0.000 0.493 165 D N 1.683 122.139 120.400 0.094 0.000 2.092 165 D HA -0.149 4.491 4.640 0.000 0.000 0.193 165 D C 1.932 178.249 176.300 0.028 0.000 0.994 165 D CA 1.724 55.750 54.000 0.042 0.000 0.828 165 D CB -1.215 39.587 40.800 0.003 0.000 0.963 165 D HN 0.372 nan 8.370 nan 0.000 0.450 166 T N -0.087 114.494 114.554 0.046 0.000 2.746 166 T HA -0.144 4.206 4.350 0.000 0.000 0.267 166 T C 1.457 176.276 174.700 0.199 0.000 1.039 166 T CA 1.147 63.303 62.100 0.092 0.000 1.142 166 T CB -0.641 68.256 68.868 0.049 0.000 0.866 166 T HN 0.393 nan 8.240 nan 0.000 0.444 167 W N 1.499 122.767 121.300 -0.053 0.000 2.342 167 W HA -0.169 4.491 4.660 0.000 0.000 0.297 167 W C 1.683 178.064 176.519 -0.229 0.000 1.213 167 W CA 0.701 57.853 57.345 -0.322 0.000 1.251 167 W CB -0.261 29.005 29.460 -0.323 0.000 1.136 167 W HN 0.061 nan 8.180 nan 0.000 0.526 168 V N 1.187 120.972 119.914 -0.215 0.000 2.407 168 V HA -0.282 3.838 4.120 0.000 0.000 0.245 168 V C 2.261 178.218 176.094 -0.229 0.000 1.041 168 V CA 1.573 63.716 62.300 -0.263 0.000 1.040 168 V CB -1.003 30.823 31.823 0.005 0.000 0.671 168 V HN 0.165 nan 8.190 nan 0.000 0.455 169 L N -0.625 120.539 121.223 -0.099 0.000 2.042 169 L HA -0.179 4.161 4.340 0.000 0.000 0.210 169 L C 2.037 178.863 176.870 -0.073 0.000 1.076 169 L CA 2.166 56.968 54.840 -0.063 0.000 0.749 169 L CB -0.688 41.339 42.059 -0.055 0.000 0.893 169 L HN 0.494 nan 8.230 nan 0.000 0.432 170 W N 0.786 121.944 121.300 -0.236 0.000 2.333 170 W HA -0.251 4.409 4.660 0.000 0.000 0.316 170 W C 2.568 178.817 176.519 -0.450 0.000 1.215 170 W CA 2.269 59.484 57.345 -0.216 0.000 1.278 170 W CB -0.396 29.001 29.460 -0.104 0.000 1.154 170 W HN 0.230 nan 8.180 nan 0.000 0.486 171 N N -0.262 118.043 118.700 -0.658 0.000 2.120 171 N HA -0.201 4.539 4.740 0.000 0.000 0.188 171 N C 1.777 176.816 175.510 -0.786 0.000 1.024 171 N CA 2.077 54.445 53.050 -1.136 0.000 0.852 171 N CB -0.792 36.301 38.487 -2.323 0.000 1.003 171 N HN 0.289 nan 8.380 nan 0.000 0.424 172 M N 0.492 119.790 119.600 -0.503 0.000 2.279 172 M HA -0.091 4.389 4.480 0.000 0.000 0.264 172 M C 1.316 177.535 176.300 -0.136 0.000 1.062 172 M CA 1.233 56.456 55.300 -0.127 0.000 1.099 172 M CB -0.385 32.213 32.600 -0.004 0.000 1.394 172 M HN 0.178 nan 8.290 nan 0.000 0.426 173 T N -3.719 110.698 114.554 -0.228 0.000 3.163 173 T HA 0.477 4.827 4.350 0.000 0.000 0.252 173 T C 1.154 175.694 174.700 -0.267 0.000 1.056 173 T CA 0.377 62.368 62.100 -0.183 0.000 0.947 173 T CB 0.489 69.281 68.868 -0.128 0.000 1.016 173 T HN 0.562 nan 8.240 nan 0.000 0.554 174 G N 0.097 108.683 108.800 -0.356 0.000 2.316 174 G HA2 0.202 4.162 3.960 0.000 0.000 0.203 174 G HA3 0.202 4.162 3.960 0.000 0.000 0.203 174 G C 0.965 175.524 174.900 -0.568 0.000 0.999 174 G CA 0.288 45.172 45.100 -0.361 0.000 0.649 174 G HN 1.476 nan 8.290 nan 0.000 0.489 175 G N -0.209 107.969 108.800 -1.036 0.000 2.565 175 G HA2 -0.115 3.845 3.960 0.000 0.000 0.295 175 G HA3 -0.115 3.845 3.960 0.000 0.000 0.295 175 G C 1.799 175.959 174.900 -1.235 0.000 1.165 175 G CA 2.951 46.945 45.100 -1.844 0.000 0.977 175 G HN 2.045 nan 8.290 nan 0.000 0.546 176 T N -1.018 113.240 114.554 -0.492 0.000 2.803 176 T HA 0.006 4.356 4.350 0.000 0.000 0.269 176 T C 1.254 175.891 174.700 -0.105 0.000 1.052 176 T CA 2.219 64.291 62.100 -0.047 0.000 1.136 176 T CB -0.171 68.745 68.868 0.080 0.000 0.864 176 T HN 0.646 nan 8.240 nan 0.000 0.467 177 E N 1.263 121.351 120.200 -0.188 0.000 2.201 177 E HA 0.456 4.806 4.350 0.000 0.000 0.272 177 E C 0.848 177.343 176.600 -0.175 0.000 1.228 177 E CA -0.090 56.228 56.400 -0.137 0.000 1.305 177 E CB -0.126 29.508 29.700 -0.109 0.000 1.381 177 E HN 0.656 nan 8.360 nan 0.000 0.475 178 G N 1.557 110.257 108.800 -0.167 0.000 2.179 178 G HA2 -0.231 3.729 3.960 0.000 0.000 0.220 178 G HA3 -0.231 3.729 3.960 0.000 0.000 0.220 178 G C 0.628 175.396 174.900 -0.220 0.000 0.990 178 G CA -0.507 44.506 45.100 -0.145 0.000 0.646 178 G HN 0.612 nan 8.290 nan 0.000 0.517 179 G N 0.041 108.562 108.800 -0.464 0.000 2.321 179 G HA2 0.537 4.497 3.960 0.000 0.000 0.237 179 G HA3 0.537 4.497 3.960 0.000 0.000 0.237 179 G C 0.571 175.356 174.900 -0.192 0.000 1.282 179 G CA 0.724 45.413 45.100 -0.684 0.000 0.886 179 G HN 1.716 nan 8.290 nan 0.000 0.528 180 V N 1.975 121.873 119.914 -0.027 0.000 2.481 180 V HA 0.476 4.596 4.120 0.000 0.000 0.286 180 V C 0.035 176.389 176.094 0.434 0.000 1.042 180 V CA -1.067 61.346 62.300 0.188 0.000 0.928 180 V CB 1.451 33.353 31.823 0.132 0.000 0.986 180 V HN 0.804 nan 8.190 nan 0.000 0.462 181 H N 4.365 123.637 119.070 0.336 0.000 2.700 181 H HA 0.702 5.258 4.556 0.000 0.000 0.269 181 H C -1.361 174.081 175.328 0.190 0.000 1.222 181 H CA -0.340 55.903 56.048 0.324 0.000 1.254 181 H CB 1.370 31.288 29.762 0.260 0.000 1.413 181 H HN 0.686 nan 8.280 nan 0.000 0.507 182 V N 3.274 123.194 119.914 0.009 0.000 3.114 182 V HA 0.333 4.453 4.120 0.000 0.000 0.308 182 V C -0.136 175.876 176.094 -0.137 0.000 1.168 182 V CA -0.698 61.563 62.300 -0.064 0.000 1.015 182 V CB 2.446 34.242 31.823 -0.045 0.000 1.050 182 V HN 0.731 nan 8.190 nan 0.000 0.433 183 T N 1.057 115.550 114.554 -0.101 0.000 2.864 183 T HA 0.453 4.803 4.350 0.000 0.000 0.299 183 T C -1.685 172.960 174.700 -0.091 0.000 1.166 183 T CA -0.574 61.469 62.100 -0.095 0.000 1.007 183 T CB 1.773 70.651 68.868 0.017 0.000 1.219 183 T HN 0.993 nan 8.240 nan 0.000 0.506 184 D N 1.295 121.647 120.400 -0.081 0.000 2.432 184 D HA 0.189 4.829 4.640 0.000 0.000 0.258 184 D C 1.808 178.078 176.300 -0.049 0.000 1.146 184 D CA -0.225 53.754 54.000 -0.035 0.000 1.015 184 D CB 0.955 41.752 40.800 -0.004 0.000 1.107 184 D HN 0.445 nan 8.370 nan 0.000 0.529 185 V N -1.539 118.338 119.914 -0.062 0.000 2.626 185 V HA -0.168 3.952 4.120 0.000 0.000 0.252 185 V C 2.276 178.338 176.094 -0.053 0.000 1.067 185 V CA 2.211 64.456 62.300 -0.092 0.000 1.081 185 V CB -1.817 29.942 31.823 -0.107 0.000 0.686 185 V HN 0.801 nan 8.190 nan 0.000 0.468 186 T N -1.666 112.873 114.554 -0.025 0.000 2.777 186 T HA -0.164 4.186 4.350 0.000 0.000 0.266 186 T C 1.879 176.597 174.700 0.032 0.000 1.040 186 T CA 1.688 63.790 62.100 0.004 0.000 1.141 186 T CB -0.710 68.171 68.868 0.021 0.000 0.868 186 T HN 0.478 nan 8.240 nan 0.000 0.444 187 N N 1.752 120.475 118.700 0.039 0.000 2.216 187 N HA 0.126 4.867 4.740 0.000 0.000 0.183 187 N C 2.315 177.907 175.510 0.135 0.000 1.017 187 N CA 1.258 54.361 53.050 0.087 0.000 0.861 187 N CB -0.495 38.039 38.487 0.078 0.000 0.986 187 N HN 0.599 nan 8.380 nan 0.000 0.428 188 A N 1.084 123.955 122.820 0.085 0.000 1.940 188 A HA -0.136 4.184 4.320 0.000 0.000 0.219 188 A C 2.185 179.821 177.584 0.087 0.000 1.176 188 A CA 1.928 54.018 52.037 0.088 0.000 0.631 188 A CB -0.731 18.123 19.000 -0.242 0.000 0.814 188 A HN 0.429 nan 8.150 nan 0.000 0.446 189 S N -1.405 114.313 115.700 0.029 0.000 2.660 189 S HA 0.027 4.497 4.470 0.000 0.000 0.228 189 S C 1.263 175.883 174.600 0.033 0.000 0.966 189 S CA 0.458 58.672 58.200 0.023 0.000 0.940 189 S CB -0.141 63.069 63.200 0.016 0.000 0.773 189 S HN 0.454 nan 8.310 nan 0.000 0.535 190 R N 0.793 121.357 120.500 0.106 0.000 2.437 190 R HA 0.195 4.535 4.340 0.000 0.000 0.257 190 R C 1.776 178.216 176.300 0.233 0.000 0.927 190 R CA 1.026 57.217 56.100 0.152 0.000 1.078 190 R CB -0.864 29.573 30.300 0.228 0.000 1.161 190 R HN 0.713 nan 8.270 nan 0.000 0.529 191 T N -2.636 112.052 114.554 0.223 0.000 3.065 191 T HA 0.176 4.526 4.350 0.000 0.000 0.252 191 T C 1.218 175.990 174.700 0.120 0.000 1.099 191 T CA 0.279 62.519 62.100 0.233 0.000 1.063 191 T CB 0.102 69.147 68.868 0.294 0.000 0.948 191 T HN 0.120 nan 8.240 nan 0.000 0.506 192 M N -1.078 118.547 119.600 0.043 0.000 2.990 192 M HA -0.153 4.327 4.480 0.000 0.000 0.206 192 M C 0.521 176.797 176.300 -0.041 0.000 0.594 192 M CA 0.802 56.079 55.300 -0.037 0.000 0.787 192 M CB -1.803 30.781 32.600 -0.026 0.000 2.812 192 M HN 0.290 nan 8.290 nan 0.000 0.300 193 L N -0.597 120.674 121.223 0.080 0.000 2.667 193 L HA 0.371 4.711 4.340 0.000 0.000 0.232 193 L C 0.612 177.667 176.870 0.309 0.000 1.138 193 L CA -0.016 54.902 54.840 0.131 0.000 0.921 193 L CB 0.357 42.476 42.059 0.100 0.000 1.180 193 L HN 0.344 nan 8.230 nan 0.000 0.487 194 M N 0.558 120.269 119.600 0.186 0.000 2.311 194 M HA 0.261 4.741 4.480 0.000 0.000 0.325 194 M C -0.900 175.401 176.300 0.000 0.000 1.061 194 M CA -0.505 54.823 55.300 0.047 0.000 0.957 194 M CB 1.863 34.388 32.600 -0.124 0.000 1.646 194 M HN -0.080 nan 8.290 nan 0.000 0.434 195 D N 4.167 124.560 120.400 -0.012 0.000 2.383 195 D HA 0.103 4.743 4.640 0.000 0.000 0.252 195 D C 0.762 177.054 176.300 -0.013 0.000 1.166 195 D CA 0.037 54.032 54.000 -0.008 0.000 0.879 195 D CB 1.074 41.871 40.800 -0.004 0.000 1.164 195 D HN 0.752 nan 8.370 nan 0.000 0.462 196 L N 3.197 124.420 121.223 -0.001 0.000 2.141 196 L HA -0.129 4.211 4.340 0.000 0.000 0.209 196 L C 1.827 178.729 176.870 0.054 0.000 1.094 196 L CA 0.698 55.559 54.840 0.035 0.000 0.763 196 L CB -0.077 41.968 42.059 -0.023 0.000 0.908 196 L HN 0.424 nan 8.230 nan 0.000 0.437 197 D N -0.832 119.567 120.400 -0.001 0.000 2.149 197 D HA -0.110 4.530 4.640 0.000 0.000 0.206 197 D C 2.215 178.536 176.300 0.036 0.000 0.967 197 D CA 2.011 56.014 54.000 0.006 0.000 0.848 197 D CB 0.040 40.825 40.800 -0.023 0.000 0.998 197 D HN 0.333 nan 8.370 nan 0.000 0.474 198 T N -1.547 113.012 114.554 0.009 0.000 3.051 198 T HA 0.105 4.455 4.350 0.000 0.000 0.255 198 T C 1.397 176.080 174.700 -0.029 0.000 1.085 198 T CA -0.003 62.094 62.100 -0.004 0.000 1.109 198 T CB 0.140 69.002 68.868 -0.009 0.000 0.921 198 T HN 0.196 nan 8.240 nan 0.000 0.488 199 L N 1.409 122.604 121.223 -0.046 0.000 3.754 199 L HA -0.154 4.186 4.340 0.000 0.000 0.410 199 L C 0.152 176.898 176.870 -0.207 0.000 1.230 199 L CA 0.225 54.998 54.840 -0.111 0.000 0.901 199 L CB -2.847 39.157 42.059 -0.092 0.000 1.982 199 L HN 0.692 nan 8.230 nan 0.000 0.822 200 S N -2.763 112.824 115.700 -0.189 0.000 2.627 200 S HA 0.706 5.176 4.470 0.000 0.000 0.283 200 S C -0.561 173.942 174.600 -0.161 0.000 1.127 200 S CA -1.039 57.016 58.200 -0.242 0.000 0.863 200 S CB 1.181 64.328 63.200 -0.088 0.000 1.121 200 S HN 0.257 nan 8.310 nan 0.000 0.479 201 W N 1.068 122.370 121.300 0.004 0.000 2.193 201 W HA 0.368 5.028 4.660 -0.000 0.000 0.338 201 W C 1.159 177.666 176.519 -0.020 0.000 1.310 201 W CA -0.670 56.669 57.345 -0.010 0.000 1.243 201 W CB 0.474 29.931 29.460 -0.005 0.000 1.165 201 W HN 0.267 nan 8.180 nan 0.000 0.566 202 R N 2.620 123.264 120.500 0.241 0.000 2.215 202 R HA 0.086 4.426 4.340 0.000 0.000 0.336 202 R C 0.893 177.231 176.300 0.064 0.000 0.996 202 R CA -0.212 55.949 56.100 0.101 0.000 0.847 202 R CB 1.029 31.355 30.300 0.043 0.000 1.127 202 R HN 0.694 nan 8.270 nan 0.000 0.465 203 E N 1.180 121.413 120.200 0.056 0.000 2.110 203 E HA -0.231 4.119 4.350 0.000 0.000 0.193 203 E C 0.800 177.401 176.600 0.001 0.000 0.988 203 E CA 1.796 58.212 56.400 0.026 0.000 0.804 203 E CB 0.306 30.025 29.700 0.031 0.000 0.745 203 E HN 0.586 nan 8.360 nan 0.000 0.458 204 D N 1.218 121.623 120.400 0.008 0.000 2.103 204 D HA -0.145 4.495 4.640 0.000 0.000 0.199 204 D C 2.020 178.309 176.300 -0.017 0.000 0.978 204 D CA 0.808 54.813 54.000 0.009 0.000 0.829 204 D CB -0.693 40.128 40.800 0.034 0.000 0.981 204 D HN 0.222 nan 8.370 nan 0.000 0.464 205 I N 1.226 121.755 120.570 -0.068 0.000 2.208 205 I HA -0.264 3.907 4.170 0.000 0.000 0.245 205 I C 2.653 178.670 176.117 -0.168 0.000 1.097 205 I CA 1.270 62.441 61.300 -0.214 0.000 1.363 205 I CB -0.502 37.272 38.000 -0.376 0.000 1.051 205 I HN 0.043 nan 8.210 nan 0.000 0.413 206 A N 0.972 123.719 122.820 -0.121 0.000 1.908 206 A HA -0.208 4.112 4.320 0.000 0.000 0.218 206 A C 2.566 180.088 177.584 -0.102 0.000 1.181 206 A CA 2.137 54.095 52.037 -0.132 0.000 0.627 206 A CB -0.809 18.112 19.000 -0.132 0.000 0.818 206 A HN 0.461 nan 8.150 nan 0.000 0.445 207 A N -0.367 122.413 122.820 -0.066 0.000 1.898 207 A HA -0.150 4.170 4.320 0.000 0.000 0.216 207 A C 1.787 179.352 177.584 -0.031 0.000 1.181 207 A CA 1.792 53.802 52.037 -0.046 0.000 0.620 207 A CB -0.630 18.355 19.000 -0.025 0.000 0.819 207 A HN 0.430 nan 8.150 nan 0.000 0.442 208 D N -0.271 120.121 120.400 -0.013 0.000 2.172 208 D HA -0.158 4.482 4.640 0.000 0.000 0.196 208 D C 1.693 177.996 176.300 0.006 0.000 0.999 208 D CA 1.447 55.463 54.000 0.027 0.000 0.856 208 D CB -0.207 40.651 40.800 0.097 0.000 0.934 208 D HN 0.502 nan 8.370 nan 0.000 0.453 209 M N -1.413 118.163 119.600 -0.040 0.000 2.371 209 M HA 0.217 4.697 4.480 0.000 0.000 0.246 209 M C 0.887 177.145 176.300 -0.070 0.000 1.103 209 M CA 0.280 55.549 55.300 -0.051 0.000 1.010 209 M CB 1.039 33.587 32.600 -0.086 0.000 1.457 209 M HN -0.002 nan 8.290 nan 0.000 0.486 210 G N 2.728 111.486 108.800 -0.069 0.000 2.272 210 G HA2 -0.236 3.724 3.960 0.000 0.000 0.280 210 G HA3 -0.236 3.724 3.960 0.000 0.000 0.280 210 G C -0.250 174.587 174.900 -0.106 0.000 1.067 210 G CA -0.086 44.967 45.100 -0.078 0.000 0.902 210 G HN 0.519 nan 8.290 nan 0.000 0.500 211 I N 0.771 121.264 120.570 -0.128 0.000 2.382 211 I HA 0.289 4.459 4.170 0.000 0.000 0.286 211 I C -2.071 173.951 176.117 -0.158 0.000 1.002 211 I CA -2.523 58.678 61.300 -0.166 0.000 1.135 211 I CB 2.022 39.883 38.000 -0.231 0.000 1.288 211 I HN -0.125 nan 8.210 nan 0.000 0.448 212 P HA 0.105 nan 4.420 nan 0.000 0.268 212 P C 0.687 177.894 177.300 -0.155 0.000 1.204 212 P CA -0.164 62.862 63.100 -0.124 0.000 0.768 212 P CB 0.657 32.293 31.700 -0.107 0.000 0.842 213 L N 1.825 122.969 121.223 -0.132 0.000 2.450 213 L HA -0.167 4.173 4.340 0.000 0.000 0.224 213 L C 2.010 178.801 176.870 -0.131 0.000 1.149 213 L CA 1.427 56.173 54.840 -0.156 0.000 0.816 213 L CB -0.776 41.236 42.059 -0.078 0.000 0.932 213 L HN 0.432 nan 8.230 nan 0.000 0.449 214 S N -1.340 114.300 115.700 -0.100 0.000 2.522 214 S HA -0.039 4.432 4.470 0.000 0.000 0.227 214 S C 1.808 176.353 174.600 -0.091 0.000 0.986 214 S CA 0.431 58.588 58.200 -0.072 0.000 0.929 214 S CB -0.140 63.021 63.200 -0.066 0.000 0.769 214 S HN 0.422 nan 8.310 nan 0.000 0.529 215 M N 0.895 120.417 119.600 -0.131 0.000 2.334 215 M HA 0.270 4.750 4.480 0.000 0.000 0.266 215 M C 0.187 176.490 176.300 0.005 0.000 1.082 215 M CA 0.487 55.714 55.300 -0.121 0.000 1.141 215 M CB -0.235 32.274 32.600 -0.152 0.000 1.380 215 M HN 0.246 nan 8.290 nan 0.000 0.440 216 L N 2.982 124.114 121.223 -0.151 0.000 2.410 216 L HA 0.195 4.535 4.340 0.000 0.000 0.273 216 L C -2.068 174.789 176.870 -0.022 0.000 1.152 216 L CA -1.801 52.857 54.840 -0.303 0.000 0.855 216 L CB -0.374 40.997 42.059 -1.147 0.000 1.129 216 L HN -0.122 nan 8.230 nan 0.000 0.463 217 P HA 0.052 nan 4.420 nan 0.000 0.274 217 P C -0.840 176.635 177.300 0.291 0.000 1.231 217 P CA -0.472 62.487 63.100 -0.234 0.000 0.790 217 P CB 0.639 32.081 31.700 -0.430 0.000 0.951 218 D N 1.208 121.713 120.400 0.176 0.000 2.450 218 D HA 0.101 4.741 4.640 0.000 0.000 0.247 218 D C -0.197 176.166 176.300 0.105 0.000 1.162 218 D CA 0.156 54.275 54.000 0.199 0.000 0.879 218 D CB -0.238 40.650 40.800 0.146 0.000 1.163 218 D HN 0.163 nan 8.370 nan 0.000 0.472 219 I N 4.993 125.566 120.570 0.004 0.000 2.371 219 I HA 0.273 4.443 4.170 0.000 0.000 0.290 219 I C 0.963 177.048 176.117 -0.055 0.000 1.028 219 I CA -0.276 60.950 61.300 -0.125 0.000 1.345 219 I CB 0.490 38.242 38.000 -0.414 0.000 1.407 219 I HN 0.247 nan 8.210 nan 0.000 0.501 220 R N 3.479 123.977 120.500 -0.003 0.000 3.018 220 R HA 0.548 4.888 4.340 0.000 0.000 0.243 220 R C -0.255 176.079 176.300 0.056 0.000 1.315 220 R CA -0.827 55.311 56.100 0.063 0.000 1.039 220 R CB 1.416 31.841 30.300 0.208 0.000 1.315 220 R HN 0.671 nan 8.270 nan 0.000 0.492 221 S N -0.435 115.307 115.700 0.069 0.000 2.617 221 S HA 0.061 4.531 4.470 0.000 0.000 0.259 221 S C 0.728 175.389 174.600 0.101 0.000 1.301 221 S CA -0.407 57.815 58.200 0.037 0.000 0.984 221 S CB 0.800 63.999 63.200 -0.000 0.000 0.954 221 S HN 0.509 nan 8.310 nan 0.000 0.572 222 S N 0.222 115.945 115.700 0.039 0.000 2.593 222 S HA 0.245 4.715 4.470 0.000 0.000 0.217 222 S C 0.517 175.132 174.600 0.025 0.000 0.966 222 S CA 0.197 58.420 58.200 0.039 0.000 0.914 222 S CB -0.153 63.010 63.200 -0.063 0.000 0.776 222 S HN 0.789 nan 8.310 nan 0.000 0.523 223 S N 1.926 117.614 115.700 -0.020 0.000 2.423 223 S HA 0.392 4.862 4.470 0.000 0.000 0.213 223 S C -1.097 173.410 174.600 -0.154 0.000 1.131 223 S CA -0.682 57.470 58.200 -0.081 0.000 1.155 223 S CB 0.147 63.292 63.200 -0.091 0.000 1.202 223 S HN 0.518 nan 8.310 nan 0.000 0.441 224 E N 1.166 121.155 120.200 -0.351 0.000 2.403 224 E HA 0.359 4.709 4.350 0.000 0.000 0.280 224 E C -1.644 174.550 176.600 -0.675 0.000 1.101 224 E CA -1.189 54.974 56.400 -0.395 0.000 0.856 224 E CB 0.690 30.203 29.700 -0.312 0.000 1.303 224 E HN 0.193 nan 8.360 nan 0.000 0.441 225 V N 2.797 122.462 119.914 -0.416 0.000 2.439 225 V HA 0.019 4.139 4.120 0.000 0.000 0.271 225 V C -0.199 175.655 176.094 -0.399 0.000 1.040 225 V CA 0.260 62.328 62.300 -0.386 0.000 1.002 225 V CB -0.520 31.178 31.823 -0.209 0.000 1.000 225 V HN 0.638 nan 8.190 nan 0.000 0.477 226 Y N 3.354 123.600 120.300 -0.089 0.000 2.509 226 Y HA 0.517 5.067 4.550 0.000 0.000 0.270 226 Y C 1.397 177.258 175.900 -0.064 0.000 1.103 226 Y CA 0.572 58.643 58.100 -0.049 0.000 1.278 226 Y CB 0.308 38.753 38.460 -0.025 0.000 1.087 226 Y HN 0.778 nan 8.280 nan 0.000 0.542 227 G N -1.590 107.179 108.800 -0.051 0.000 2.317 227 G HA2 0.347 4.307 3.960 0.000 0.000 0.293 227 G HA3 0.347 4.307 3.960 0.000 0.000 0.293 227 G C -2.142 172.538 174.900 -0.368 0.000 1.287 227 G CA -1.024 44.033 45.100 -0.071 0.000 0.850 227 G HN 0.077 nan 8.290 nan 0.000 0.515 228 H N -1.218 117.866 119.070 0.023 0.000 2.747 228 H HA 0.614 5.170 4.556 0.000 0.000 0.371 228 H C 0.756 176.080 175.328 -0.008 0.000 1.161 228 H CA 0.203 56.257 56.048 0.011 0.000 1.167 228 H CB 1.754 31.516 29.762 0.000 0.000 1.732 228 H HN 0.870 nan 8.280 nan 0.000 0.544 229 G N 1.722 110.580 108.800 0.097 0.000 2.305 229 G HA2 0.062 4.022 3.960 0.000 0.000 0.243 229 G HA3 0.062 4.022 3.960 0.000 0.000 0.243 229 G C 0.159 175.065 174.900 0.010 0.000 1.288 229 G CA -0.626 44.497 45.100 0.038 0.000 0.901 229 G HN 0.747 nan 8.290 nan 0.000 0.516 230 R N 2.810 123.299 120.500 -0.018 0.000 2.758 230 R HA 0.015 4.355 4.340 0.000 0.000 0.263 230 R C -1.891 174.380 176.300 -0.048 0.000 1.010 230 R CA -0.685 55.389 56.100 -0.042 0.000 1.114 230 R CB 0.143 30.405 30.300 -0.064 0.000 0.985 230 R HN 0.235 nan 8.270 nan 0.000 0.439 231 P HA -0.119 nan 4.420 nan 0.000 0.218 231 P C 0.405 177.664 177.300 -0.068 0.000 1.149 231 P CA 1.456 64.515 63.100 -0.069 0.000 0.817 231 P CB 0.080 31.747 31.700 -0.055 0.000 0.785 232 R N -0.796 119.676 120.500 -0.046 0.000 2.317 232 R HA 0.280 4.620 4.340 0.000 0.000 0.208 232 R C 1.398 177.684 176.300 -0.025 0.000 0.914 232 R CA 0.048 56.128 56.100 -0.033 0.000 1.060 232 R CB -0.142 30.146 30.300 -0.019 0.000 1.015 232 R HN 0.168 nan 8.270 nan 0.000 0.498 233 G N 0.333 109.116 108.800 -0.028 0.000 2.525 233 G HA2 0.184 4.144 3.960 0.000 0.000 0.287 233 G HA3 0.184 4.144 3.960 0.000 0.000 0.287 233 G C 0.544 175.425 174.900 -0.032 0.000 1.350 233 G CA -0.638 44.456 45.100 -0.009 0.000 1.039 233 G HN -0.061 nan 8.290 nan 0.000 0.513 234 L N -0.471 120.741 121.223 -0.018 0.000 2.341 234 L HA 0.116 4.456 4.340 0.000 0.000 0.214 234 L C 1.672 178.550 176.870 0.014 0.000 1.115 234 L CA 0.992 55.828 54.840 -0.007 0.000 0.820 234 L CB -0.318 41.731 42.059 -0.016 0.000 0.944 234 L HN 0.368 nan 8.230 nan 0.000 0.452 235 V N -2.638 117.273 119.914 -0.004 0.000 2.454 235 V HA 0.418 4.538 4.120 0.000 0.000 0.255 235 V C -2.594 173.467 176.094 -0.055 0.000 1.009 235 V CA -1.831 60.482 62.300 0.020 0.000 1.149 235 V CB 0.277 32.132 31.823 0.053 0.000 1.418 235 V HN -0.009 nan 8.190 nan 0.000 0.567 236 P HA 0.292 nan 4.420 nan 0.000 0.266 236 P C 1.261 178.468 177.300 -0.156 0.000 1.215 236 P CA 1.882 64.837 63.100 -0.242 0.000 0.763 236 P CB 0.964 32.409 31.700 -0.424 0.000 0.806 237 G N 2.104 110.887 108.800 -0.028 0.000 2.234 237 G HA2 -0.250 3.710 3.960 0.000 0.000 0.260 237 G HA3 -0.250 3.710 3.960 0.000 0.000 0.260 237 G C 0.124 175.120 174.900 0.160 0.000 0.987 237 G CA 0.020 45.142 45.100 0.037 0.000 0.625 237 G HN 0.527 nan 8.290 nan 0.000 0.532 238 V N 3.101 123.095 119.914 0.133 0.000 2.585 238 V HA 0.345 4.465 4.120 0.000 0.000 0.296 238 V C -1.363 174.806 176.094 0.125 0.000 1.035 238 V CA -0.782 61.604 62.300 0.143 0.000 1.084 238 V CB 1.050 32.933 31.823 0.100 0.000 0.953 238 V HN 0.183 nan 8.190 nan 0.000 0.483 239 P HA 0.248 nan 4.420 nan 0.000 0.271 239 P C -0.534 176.716 177.300 -0.083 0.000 1.216 239 P CA 0.101 63.115 63.100 -0.144 0.000 0.771 239 P CB 0.376 32.029 31.700 -0.077 0.000 0.864 240 I N 2.344 122.848 120.570 -0.110 0.000 2.359 240 I HA 0.435 4.605 4.170 0.000 0.000 0.284 240 I C 0.691 176.848 176.117 0.066 0.000 1.018 240 I CA -0.323 60.997 61.300 0.034 0.000 1.173 240 I CB 1.214 39.260 38.000 0.075 0.000 1.326 240 I HN 0.344 nan 8.210 nan 0.000 0.462 241 A N 4.860 127.703 122.820 0.038 0.000 2.624 241 A HA 0.669 4.989 4.320 0.000 0.000 0.287 241 A C 0.465 178.033 177.584 -0.026 0.000 1.087 241 A CA -0.230 51.723 52.037 -0.140 0.000 0.964 241 A CB 0.457 19.375 19.000 -0.137 0.000 1.231 241 A HN 0.716 nan 8.150 nan 0.000 0.551 242 G N 0.048 108.985 108.800 0.228 0.000 2.739 242 G HA2 0.578 4.538 3.960 0.000 0.000 0.292 242 G HA3 0.578 4.538 3.960 0.000 0.000 0.292 242 G C -1.334 173.704 174.900 0.230 0.000 1.444 242 G CA -0.324 44.896 45.100 0.201 0.000 1.144 242 G HN 0.162 nan 8.290 nan 0.000 0.550 243 I N 2.021 122.697 120.570 0.176 0.000 2.571 243 I HA 0.475 4.646 4.170 0.000 0.000 0.289 243 I C -0.968 175.158 176.117 0.014 0.000 1.115 243 I CA -0.609 60.725 61.300 0.056 0.000 1.045 243 I CB 2.379 40.343 38.000 -0.060 0.000 1.238 243 I HN 0.201 nan 8.210 nan 0.000 0.424 244 L N 4.669 125.897 121.223 0.007 0.000 2.482 244 L HA 0.575 4.915 4.340 0.000 0.000 0.263 244 L C 0.368 177.253 176.870 0.025 0.000 0.957 244 L CA -0.714 54.128 54.840 0.004 0.000 0.836 244 L CB 2.243 44.292 42.059 -0.016 0.000 1.324 244 L HN 0.666 nan 8.230 nan 0.000 0.406 245 G N 0.535 109.352 108.800 0.029 0.000 2.491 245 G HA2 0.079 4.039 3.960 0.000 0.000 0.238 245 G HA3 0.079 4.039 3.960 0.000 0.000 0.238 245 G C 0.802 175.712 174.900 0.016 0.000 1.277 245 G CA 0.168 45.284 45.100 0.027 0.000 0.851 245 G HN 0.895 nan 8.290 nan 0.000 0.573 246 D N 1.195 121.591 120.400 -0.007 0.000 2.160 246 D HA -0.254 4.386 4.640 0.000 0.000 0.189 246 D C 1.773 178.057 176.300 -0.027 0.000 1.003 246 D CA 1.628 55.616 54.000 -0.020 0.000 0.846 246 D CB -0.304 40.465 40.800 -0.052 0.000 0.949 246 D HN 0.368 nan 8.370 nan 0.000 0.446 247 Q N -0.025 119.728 119.800 -0.077 0.000 2.124 247 Q HA -0.118 4.223 4.340 0.000 0.000 0.202 247 Q C 2.370 178.399 176.000 0.049 0.000 0.977 247 Q CA 1.372 57.145 55.803 -0.049 0.000 0.850 247 Q CB -0.312 28.365 28.738 -0.102 0.000 0.901 247 Q HN 0.533 nan 8.270 nan 0.000 0.429 248 Q N 0.048 119.890 119.800 0.070 0.000 2.079 248 Q HA -0.040 4.300 4.340 0.000 0.000 0.200 248 Q C 2.015 178.126 176.000 0.184 0.000 0.974 248 Q CA 1.584 57.472 55.803 0.141 0.000 0.840 248 Q CB -0.388 28.423 28.738 0.121 0.000 0.898 248 Q HN 0.406 nan 8.270 nan 0.000 0.430 249 A N 0.813 123.707 122.820 0.124 0.000 1.883 249 A HA -0.206 4.114 4.320 0.000 0.000 0.217 249 A C 2.286 179.972 177.584 0.171 0.000 1.186 249 A CA 1.907 54.029 52.037 0.141 0.000 0.624 249 A CB -1.188 17.863 19.000 0.085 0.000 0.822 249 A HN 0.408 nan 8.150 nan 0.000 0.444 250 A N -1.230 121.662 122.820 0.120 0.000 1.908 250 A HA -0.132 4.188 4.320 0.000 0.000 0.218 250 A C 2.327 179.992 177.584 0.135 0.000 1.181 250 A CA 2.456 54.561 52.037 0.113 0.000 0.627 250 A CB -1.364 17.684 19.000 0.081 0.000 0.818 250 A HN 0.447 nan 8.150 nan 0.000 0.445 251 T N -1.219 113.426 114.554 0.152 0.000 2.746 251 T HA -0.109 4.241 4.350 0.000 0.000 0.267 251 T C 1.605 176.389 174.700 0.141 0.000 1.039 251 T CA 1.565 63.751 62.100 0.143 0.000 1.142 251 T CB -0.356 68.628 68.868 0.194 0.000 0.866 251 T HN 0.431 nan 8.240 nan 0.000 0.444 252 F N 1.615 121.623 119.950 0.096 0.000 2.186 252 F HA 0.115 4.642 4.527 0.000 0.000 0.299 252 F C 2.379 178.279 175.800 0.166 0.000 1.090 252 F CA 1.087 59.169 58.000 0.137 0.000 1.307 252 F CB -0.565 38.499 39.000 0.107 0.000 1.019 252 F HN 0.193 nan 8.300 nan 0.000 0.489 253 G N -1.131 107.828 108.800 0.266 0.000 2.598 253 G HA2 -0.138 3.822 3.960 0.000 0.000 0.215 253 G HA3 -0.138 3.822 3.960 0.000 0.000 0.215 253 G C 1.353 176.407 174.900 0.257 0.000 1.131 253 G CA 0.165 45.386 45.100 0.202 0.000 0.785 253 G HN 0.302 nan 8.290 nan 0.000 0.539 254 Q N -0.389 119.460 119.800 0.082 0.000 2.360 254 Q HA 0.332 4.672 4.340 0.000 0.000 0.202 254 Q C 1.478 177.066 176.000 -0.687 0.000 0.915 254 Q CA 0.435 56.271 55.803 0.055 0.000 0.943 254 Q CB 0.377 29.129 28.738 0.023 0.000 1.064 254 Q HN 0.499 nan 8.270 nan 0.000 0.511 255 A N 0.103 122.359 122.820 -0.939 0.000 2.822 255 A HA -0.204 4.116 4.320 0.000 0.000 0.287 255 A C 0.424 176.968 177.584 -1.733 0.000 1.479 255 A CA 0.528 51.375 52.037 -1.983 0.000 0.779 255 A CB -2.484 15.387 19.000 -1.882 0.000 1.022 255 A HN 0.448 nan 8.150 nan 0.000 0.532 256 C N 0.467 119.145 119.300 -1.037 0.000 2.756 256 C HA 0.429 4.889 4.460 0.000 0.000 0.504 256 C C 1.377 176.218 174.990 -0.250 0.000 1.028 256 C CA 0.402 59.113 59.018 -0.512 0.000 1.167 256 C CB -2.306 25.314 27.740 -0.201 0.000 1.444 256 C HN 0.579 nan 8.230 nan 0.000 0.577 257 F N 0.016 119.854 119.950 -0.186 0.000 2.721 257 F HA 0.176 4.703 4.527 0.000 0.000 0.301 257 F C 1.294 177.093 175.800 -0.001 0.000 1.096 257 F CA -0.160 57.790 58.000 -0.083 0.000 1.308 257 F CB 0.371 39.230 39.000 -0.234 0.000 1.086 257 F HN 0.417 nan 8.300 nan 0.000 0.587 258 E N 0.301 120.553 120.200 0.086 0.000 2.221 258 E HA 0.328 4.678 4.350 0.000 0.000 0.268 258 E C -0.570 176.054 176.600 0.039 0.000 0.933 258 E CA -0.876 55.556 56.400 0.054 0.000 0.809 258 E CB 2.792 32.492 29.700 0.000 0.000 1.190 258 E HN -0.236 nan 8.360 nan 0.000 0.406 259 V N 2.534 122.470 119.914 0.038 0.000 2.509 259 V HA 0.165 4.285 4.120 0.000 0.000 0.297 259 V C 1.328 177.429 176.094 0.013 0.000 1.014 259 V CA 1.826 64.144 62.300 0.029 0.000 1.127 259 V CB 0.050 31.888 31.823 0.025 0.000 0.925 259 V HN 1.084 nan 8.190 nan 0.000 0.480 260 G N 3.650 112.457 108.800 0.013 0.000 2.213 260 G HA2 -0.199 3.761 3.960 0.000 0.000 0.226 260 G HA3 -0.199 3.761 3.960 0.000 0.000 0.226 260 G C 0.155 175.050 174.900 -0.008 0.000 0.992 260 G CA -0.046 45.055 45.100 0.002 0.000 0.632 260 G HN 0.630 nan 8.290 nan 0.000 0.511 261 Q N 0.784 120.574 119.800 -0.017 0.000 2.286 261 Q HA 0.646 4.986 4.340 0.000 0.000 0.257 261 Q C 0.157 176.146 176.000 -0.018 0.000 0.941 261 Q CA 0.456 56.233 55.803 -0.043 0.000 0.912 261 Q CB 1.559 30.236 28.738 -0.102 0.000 1.192 261 Q HN 0.813 nan 8.270 nan 0.000 0.410 262 A N 2.569 125.380 122.820 -0.015 0.000 2.454 262 A HA 0.676 4.996 4.320 0.000 0.000 0.302 262 A C -1.390 176.205 177.584 0.017 0.000 1.079 262 A CA -0.903 51.141 52.037 0.013 0.000 0.731 262 A CB 1.407 20.419 19.000 0.020 0.000 1.299 262 A HN 0.670 nan 8.150 nan 0.000 0.413 263 K N 0.750 121.175 120.400 0.041 0.000 2.292 263 K HA 0.509 4.829 4.320 0.000 0.000 0.257 263 K C -0.973 175.668 176.600 0.067 0.000 0.940 263 K CA -0.322 56.002 56.287 0.062 0.000 0.811 263 K CB 1.428 33.969 32.500 0.069 0.000 1.120 263 K HN 0.590 nan 8.250 nan 0.000 0.428 264 N N 2.322 121.068 118.700 0.078 0.000 2.446 264 N HA 0.222 4.962 4.740 0.000 0.000 0.265 264 N C -1.168 174.366 175.510 0.039 0.000 0.975 264 N CA -0.582 52.465 53.050 -0.004 0.000 0.928 264 N CB 1.177 39.619 38.487 -0.075 0.000 1.160 264 N HN 0.667 nan 8.380 nan 0.000 0.495 265 T N 3.469 118.032 114.554 0.015 0.000 2.733 265 T HA 0.211 4.561 4.350 0.000 0.000 0.294 265 T C -0.861 173.856 174.700 0.029 0.000 0.956 265 T CA -0.028 62.140 62.100 0.113 0.000 0.987 265 T CB -0.001 68.954 68.868 0.146 0.000 0.920 265 T HN 0.286 nan 8.240 nan 0.000 0.470 266 Y N 2.334 122.681 120.300 0.078 0.000 2.383 266 Y HA 0.584 5.134 4.550 0.000 0.000 0.344 266 Y C 0.966 176.911 175.900 0.075 0.000 0.986 266 Y CA -0.324 57.810 58.100 0.058 0.000 1.175 266 Y CB 0.993 39.462 38.460 0.014 0.000 1.152 266 Y HN 0.835 nan 8.280 nan 0.000 0.511 267 G N 0.289 109.203 108.800 0.190 0.000 3.107 267 G HA2 0.244 4.204 3.960 0.000 0.000 0.233 267 G HA3 0.244 4.204 3.960 0.000 0.000 0.233 267 G C 0.694 175.678 174.900 0.140 0.000 1.168 267 G CA -0.108 45.093 45.100 0.168 0.000 0.801 267 G HN 0.425 nan 8.290 nan 0.000 0.605 268 T N -1.892 112.746 114.554 0.139 0.000 2.867 268 T HA 0.286 4.636 4.350 0.000 0.000 0.268 268 T C 1.218 175.978 174.700 0.101 0.000 1.057 268 T CA 1.424 63.597 62.100 0.121 0.000 1.136 268 T CB -0.282 68.665 68.868 0.132 0.000 0.874 268 T HN 0.970 nan 8.240 nan 0.000 0.466 269 G N -0.215 108.646 108.800 0.102 0.000 2.788 269 G HA2 0.632 4.592 3.960 0.000 0.000 0.293 269 G HA3 0.632 4.592 3.960 0.000 0.000 0.293 269 G C -1.334 173.563 174.900 -0.005 0.000 1.305 269 G CA -1.038 44.075 45.100 0.022 0.000 1.005 269 G HN 0.321 nan 8.290 nan 0.000 0.496 270 N N -0.984 117.626 118.700 -0.151 0.000 2.272 270 N HA 0.543 5.283 4.740 0.000 0.000 0.305 270 N C -1.784 173.514 175.510 -0.352 0.000 1.103 270 N CA -0.372 52.575 53.050 -0.172 0.000 0.791 270 N CB 2.384 40.716 38.487 -0.257 0.000 1.356 270 N HN 0.221 nan 8.380 nan 0.000 0.486 271 F N 1.653 121.542 119.950 -0.101 0.000 2.493 271 F HA 0.503 5.030 4.527 0.000 0.000 0.329 271 F C -0.224 175.536 175.800 -0.067 0.000 1.126 271 F CA -0.673 57.283 58.000 -0.073 0.000 0.937 271 F CB 1.648 40.608 39.000 -0.067 0.000 1.146 271 F HN 0.119 nan 8.300 nan 0.000 0.442 272 L N 4.764 126.039 121.223 0.087 0.000 2.385 272 L HA 0.707 5.047 4.340 0.000 0.000 0.273 272 L C -1.801 175.122 176.870 0.088 0.000 0.990 272 L CA -0.773 54.099 54.840 0.054 0.000 0.821 272 L CB 1.473 43.535 42.059 0.005 0.000 1.279 272 L HN 0.504 nan 8.230 nan 0.000 0.412 273 L N 5.064 126.339 121.223 0.086 0.000 2.386 273 L HA 0.580 4.920 4.340 0.000 0.000 0.271 273 L C -0.981 175.932 176.870 0.072 0.000 0.993 273 L CA -0.262 54.632 54.840 0.091 0.000 0.819 273 L CB 1.919 44.042 42.059 0.106 0.000 1.294 273 L HN 0.456 nan 8.230 nan 0.000 0.414 274 L N 3.603 124.867 121.223 0.068 0.000 2.333 274 L HA 0.533 4.873 4.340 0.000 0.000 0.280 274 L C -0.235 176.672 176.870 0.061 0.000 1.004 274 L CA -0.159 54.713 54.840 0.053 0.000 0.820 274 L CB 1.317 43.401 42.059 0.041 0.000 1.247 274 L HN 0.583 nan 8.230 nan 0.000 0.416 275 N N 2.366 121.102 118.700 0.061 0.000 2.431 275 N HA 0.022 4.762 4.740 0.000 0.000 0.265 275 N C 0.321 175.863 175.510 0.052 0.000 1.184 275 N CA 0.729 53.820 53.050 0.068 0.000 0.943 275 N CB 1.050 39.592 38.487 0.092 0.000 1.080 275 N HN 0.801 nan 8.380 nan 0.000 0.477 276 T N 0.823 115.410 114.554 0.055 0.000 3.176 276 T HA 0.374 4.724 4.350 0.000 0.000 0.263 276 T C 1.000 175.737 174.700 0.062 0.000 1.021 276 T CA 0.165 62.300 62.100 0.058 0.000 0.905 276 T CB -0.301 68.605 68.868 0.064 0.000 1.057 276 T HN 0.677 nan 8.240 nan 0.000 0.558 277 G N 2.208 111.034 108.800 0.043 0.000 2.562 277 G HA2 -0.323 3.637 3.960 0.000 0.000 0.250 277 G HA3 -0.323 3.637 3.960 0.000 0.000 0.250 277 G C 0.841 175.773 174.900 0.054 0.000 1.269 277 G CA 0.488 45.609 45.100 0.035 0.000 0.919 277 G HN 1.000 nan 8.290 nan 0.000 0.574 278 T N -1.431 113.163 114.554 0.066 0.000 3.148 278 T HA 0.283 4.633 4.350 0.000 0.000 0.253 278 T C 0.827 175.671 174.700 0.240 0.000 1.134 278 T CA 1.611 63.778 62.100 0.113 0.000 1.051 278 T CB 0.184 69.087 68.868 0.059 0.000 0.959 278 T HN 0.730 nan 8.240 nan 0.000 0.525 279 E N 1.764 122.065 120.200 0.168 0.000 2.146 279 E HA 0.218 4.568 4.350 0.000 0.000 0.282 279 E C -0.337 176.249 176.600 -0.022 0.000 0.989 279 E CA -0.696 55.744 56.400 0.067 0.000 0.799 279 E CB 0.693 30.404 29.700 0.018 0.000 1.088 279 E HN 0.249 nan 8.360 nan 0.000 0.397 280 K N 3.942 124.113 120.400 -0.382 0.000 2.339 280 K HA 0.172 4.492 4.320 0.000 0.000 0.286 280 K C -1.156 175.268 176.600 -0.294 0.000 1.050 280 K CA -0.353 55.504 56.287 -0.717 0.000 0.956 280 K CB 0.795 32.638 32.500 -1.096 0.000 0.990 280 K HN 0.281 nan 8.250 nan 0.000 0.475 281 V N 6.094 125.902 119.914 -0.176 0.000 2.409 281 V HA 0.291 4.411 4.120 0.000 0.000 0.291 281 V C -0.153 175.898 176.094 -0.071 0.000 1.020 281 V CA -0.953 61.293 62.300 -0.090 0.000 0.848 281 V CB 1.526 33.328 31.823 -0.034 0.000 0.990 281 V HN 0.799 nan 8.190 nan 0.000 0.430 282 M N 3.150 122.712 119.600 -0.063 0.000 2.188 282 M HA 0.375 4.855 4.480 0.000 0.000 0.357 282 M C 0.355 176.646 176.300 -0.015 0.000 1.204 282 M CA 0.057 55.333 55.300 -0.040 0.000 1.095 282 M CB 1.013 33.586 32.600 -0.045 0.000 1.604 282 M HN 0.621 nan 8.290 nan 0.000 0.464 283 S N 3.004 118.710 115.700 0.009 0.000 2.565 283 S HA 0.249 4.719 4.470 0.000 0.000 0.276 283 S C 0.896 175.507 174.600 0.019 0.000 1.326 283 S CA -0.473 57.746 58.200 0.032 0.000 1.045 283 S CB 0.417 63.663 63.200 0.077 0.000 0.918 283 S HN 0.600 nan 8.310 nan 0.000 0.505 284 K N 3.455 123.862 120.400 0.012 0.000 2.440 284 K HA 0.249 4.569 4.320 0.000 0.000 0.206 284 K C -0.095 176.492 176.600 -0.022 0.000 1.025 284 K CA -0.072 56.197 56.287 -0.029 0.000 1.135 284 K CB -0.209 32.258 32.500 -0.054 0.000 0.856 284 K HN 0.478 nan 8.250 nan 0.000 0.502 285 N N 0.637 119.405 118.700 0.114 0.000 2.194 285 N HA 0.061 4.801 4.740 0.000 0.000 0.231 285 N C 0.328 176.141 175.510 0.505 0.000 1.247 285 N CA 0.657 53.927 53.050 0.367 0.000 0.884 285 N CB 1.412 40.146 38.487 0.411 0.000 1.146 285 N HN 0.479 nan 8.380 nan 0.000 0.516 286 G N 1.263 110.224 108.800 0.268 0.000 2.199 286 G HA2 -0.255 3.705 3.960 0.000 0.000 0.254 286 G HA3 -0.255 3.705 3.960 0.000 0.000 0.254 286 G C 0.220 175.265 174.900 0.242 0.000 0.982 286 G CA 0.052 45.306 45.100 0.256 0.000 0.632 286 G HN 0.201 nan 8.290 nan 0.000 0.529 287 L N 0.519 121.898 121.223 0.259 0.000 2.474 287 L HA 0.468 4.808 4.340 0.000 0.000 0.259 287 L C 1.337 178.290 176.870 0.139 0.000 1.232 287 L CA -0.476 54.488 54.840 0.206 0.000 0.821 287 L CB 0.233 42.407 42.059 0.192 0.000 1.108 287 L HN 0.062 nan 8.230 nan 0.000 0.495 288 L N 0.360 121.657 121.223 0.124 0.000 2.334 288 L HA 0.330 4.670 4.340 0.000 0.000 0.277 288 L C 0.030 176.940 176.870 0.068 0.000 1.075 288 L CA -0.339 54.555 54.840 0.090 0.000 0.804 288 L CB 1.210 43.331 42.059 0.104 0.000 1.174 288 L HN 0.553 nan 8.230 nan 0.000 0.438 289 T N 1.139 115.715 114.554 0.037 0.000 2.749 289 T HA 0.416 4.766 4.350 0.000 0.000 0.287 289 T C -0.036 174.693 174.700 0.049 0.000 0.970 289 T CA -0.206 61.913 62.100 0.032 0.000 0.980 289 T CB 1.293 70.156 68.868 -0.009 0.000 0.924 289 T HN 0.671 nan 8.240 nan 0.000 0.456 290 T N 1.855 116.465 114.554 0.094 0.000 2.864 290 T HA 0.542 4.892 4.350 0.000 0.000 0.299 290 T C -0.936 173.856 174.700 0.153 0.000 1.166 290 T CA -0.546 61.617 62.100 0.104 0.000 1.007 290 T CB 1.230 70.145 68.868 0.077 0.000 1.219 290 T HN 0.261 nan 8.240 nan 0.000 0.506 291 V N 3.097 123.061 119.914 0.082 0.000 2.455 291 V HA 0.211 4.331 4.120 0.000 0.000 0.273 291 V C 1.644 177.690 176.094 -0.080 0.000 1.045 291 V CA -0.389 61.874 62.300 -0.061 0.000 0.976 291 V CB 0.584 32.333 31.823 -0.124 0.000 0.993 291 V HN 1.161 nan 8.190 nan 0.000 0.475 292 C N 5.563 124.758 119.300 -0.175 0.000 2.476 292 C HA 0.143 4.603 4.460 0.000 0.000 0.278 292 C C 0.538 175.542 174.990 0.023 0.000 1.274 292 C CA 0.993 59.961 59.018 -0.084 0.000 1.713 292 C CB -0.794 26.844 27.740 -0.170 0.000 2.039 292 C HN 0.924 nan 8.230 nan 0.000 0.484 293 Y N -1.759 118.508 120.300 -0.055 0.000 2.765 293 Y HA 0.511 5.061 4.550 0.000 0.000 0.350 293 Y C -0.970 174.848 175.900 -0.137 0.000 1.196 293 Y CA -1.581 56.458 58.100 -0.101 0.000 1.119 293 Y CB 0.211 38.606 38.460 -0.109 0.000 1.368 293 Y HN 0.042 nan 8.280 nan 0.000 0.463 294 K N 2.519 122.954 120.400 0.058 0.000 2.565 294 K HA 0.611 4.931 4.320 0.000 0.000 0.249 294 K C -1.859 174.761 176.600 0.032 0.000 0.958 294 K CA -0.697 55.594 56.287 0.007 0.000 0.806 294 K CB 1.234 33.687 32.500 -0.078 0.000 1.194 294 K HN 0.741 nan 8.250 nan 0.000 0.434 295 I N 4.972 125.577 120.570 0.059 0.000 2.313 295 I HA 0.248 4.418 4.170 0.000 0.000 0.286 295 I C 1.096 177.207 176.117 -0.009 0.000 1.091 295 I CA 0.278 61.581 61.300 0.005 0.000 1.216 295 I CB -0.471 37.541 38.000 0.020 0.000 1.434 295 I HN 1.052 nan 8.210 nan 0.000 0.487 296 G N 6.705 115.490 108.800 -0.026 0.000 2.574 296 G HA2 -0.308 3.652 3.960 0.000 0.000 0.286 296 G HA3 -0.308 3.652 3.960 0.000 0.000 0.286 296 G C 0.732 175.620 174.900 -0.020 0.000 1.212 296 G CA 0.403 45.486 45.100 -0.029 0.000 0.979 296 G HN 0.480 nan 8.290 nan 0.000 0.557 297 D N 1.577 121.967 120.400 -0.017 0.000 2.218 297 D HA 0.170 4.810 4.640 0.000 0.000 0.204 297 D C 1.925 178.218 176.300 -0.012 0.000 0.976 297 D CA 1.380 55.372 54.000 -0.013 0.000 0.853 297 D CB -0.697 40.098 40.800 -0.009 0.000 0.939 297 D HN 0.992 nan 8.370 nan 0.000 0.481 298 A N 2.054 124.868 122.820 -0.009 0.000 2.583 298 A HA 0.146 4.466 4.320 0.000 0.000 0.231 298 A C -2.103 175.469 177.584 -0.020 0.000 1.065 298 A CA -0.623 51.410 52.037 -0.007 0.000 0.760 298 A CB -0.385 18.619 19.000 0.006 0.000 1.001 298 A HN -0.036 nan 8.150 nan 0.000 0.509 299 P HA 0.301 nan 4.420 nan 0.000 0.269 299 P C -0.240 177.002 177.300 -0.097 0.000 1.209 299 P CA 0.367 63.443 63.100 -0.040 0.000 0.776 299 P CB 0.523 32.213 31.700 -0.018 0.000 0.876 300 A N 2.921 125.637 122.820 -0.172 0.000 2.425 300 A HA 0.344 4.664 4.320 0.000 0.000 0.249 300 A C -0.065 177.210 177.584 -0.515 0.000 1.084 300 A CA -0.156 51.668 52.037 -0.356 0.000 0.781 300 A CB -0.027 18.694 19.000 -0.465 0.000 1.019 300 A HN 0.384 nan 8.150 nan 0.000 0.490 301 V N 2.438 121.971 119.914 -0.636 0.000 2.532 301 V HA 0.407 4.527 4.120 0.000 0.000 0.295 301 V C -0.634 175.032 176.094 -0.713 0.000 1.041 301 V CA -0.195 61.730 62.300 -0.625 0.000 0.926 301 V CB 1.001 32.328 31.823 -0.828 0.000 0.992 301 V HN 0.799 nan 8.190 nan 0.000 0.457 302 Y N 1.741 121.930 120.300 -0.185 0.000 2.568 302 Y HA 0.851 5.401 4.550 0.000 0.000 0.327 302 Y C 0.418 176.272 175.900 -0.077 0.000 1.163 302 Y CA -0.473 57.558 58.100 -0.115 0.000 1.219 302 Y CB 1.884 40.301 38.460 -0.071 0.000 1.308 302 Y HN 0.755 nan 8.280 nan 0.000 0.503 303 A N 0.716 123.631 122.820 0.158 0.000 2.609 303 A HA 0.744 5.064 4.320 0.000 0.000 0.291 303 A C -2.057 175.585 177.584 0.097 0.000 1.096 303 A CA -0.787 51.311 52.037 0.101 0.000 0.684 303 A CB 1.175 20.224 19.000 0.082 0.000 1.282 303 A HN 0.662 nan 8.150 nan 0.000 0.412 304 L N 1.056 122.327 121.223 0.079 0.000 2.309 304 L HA 0.583 4.924 4.340 0.000 0.000 0.282 304 L C 0.159 177.082 176.870 0.088 0.000 1.036 304 L CA -0.306 54.580 54.840 0.076 0.000 0.806 304 L CB 1.709 43.805 42.059 0.063 0.000 1.220 304 L HN 0.899 nan 8.230 nan 0.000 0.429 305 E N 1.708 121.968 120.200 0.100 0.000 2.199 305 E HA 0.643 4.993 4.350 0.000 0.000 0.269 305 E C -0.878 175.793 176.600 0.118 0.000 0.899 305 E CA -0.638 55.831 56.400 0.115 0.000 0.772 305 E CB 2.110 31.889 29.700 0.131 0.000 1.155 305 E HN 0.690 nan 8.360 nan 0.000 0.408 306 G N 1.409 110.270 108.800 0.101 0.000 2.542 306 G HA2 0.459 4.419 3.960 0.000 0.000 0.311 306 G HA3 0.459 4.419 3.960 0.000 0.000 0.311 306 G C -1.378 173.498 174.900 -0.039 0.000 1.298 306 G CA -0.526 44.623 45.100 0.083 0.000 0.973 306 G HN 0.352 nan 8.290 nan 0.000 0.487 307 S N 0.381 116.004 115.700 -0.129 0.000 2.521 307 S HA 0.698 5.168 4.470 0.000 0.000 0.295 307 S C -0.631 173.804 174.600 -0.276 0.000 1.098 307 S CA -0.664 57.305 58.200 -0.385 0.000 0.999 307 S CB 0.773 63.686 63.200 -0.479 0.000 1.034 307 S HN 0.439 nan 8.310 nan 0.000 0.483 308 I N 4.369 124.754 120.570 -0.309 0.000 2.382 308 I HA 0.392 4.562 4.170 0.000 0.000 0.286 308 I C 1.091 177.115 176.117 -0.156 0.000 1.002 308 I CA -0.748 60.458 61.300 -0.158 0.000 1.135 308 I CB 1.635 39.585 38.000 -0.084 0.000 1.288 308 I HN 0.796 nan 8.210 nan 0.000 0.448 309 A N 5.891 128.655 122.820 -0.094 0.000 1.858 309 A HA -0.003 4.317 4.320 0.000 0.000 0.216 309 A C 1.006 178.609 177.584 0.033 0.000 1.190 309 A CA 1.318 53.316 52.037 -0.065 0.000 0.617 309 A CB -0.037 18.897 19.000 -0.110 0.000 0.827 309 A HN 0.453 nan 8.150 nan 0.000 0.443 310 V N 0.802 120.772 119.914 0.093 0.000 2.293 310 V HA 0.371 4.491 4.120 0.000 0.000 0.275 310 V C 0.748 176.881 176.094 0.066 0.000 1.021 310 V CA 0.291 62.644 62.300 0.088 0.000 0.815 310 V CB 0.640 32.521 31.823 0.097 0.000 1.025 310 V HN 0.748 nan 8.190 nan 0.000 0.448 311 T N 1.300 115.886 114.554 0.054 0.000 3.463 311 T HA 0.186 4.536 4.350 0.000 0.000 0.203 311 T C 1.910 176.648 174.700 0.063 0.000 0.955 311 T CA 0.754 62.887 62.100 0.056 0.000 1.230 311 T CB -0.347 68.548 68.868 0.044 0.000 1.392 311 T HN 0.492 nan 8.240 nan 0.000 0.361 312 G N 1.252 110.100 108.800 0.080 0.000 2.432 312 G HA2 -0.117 3.843 3.960 0.000 0.000 0.219 312 G HA3 -0.117 3.843 3.960 0.000 0.000 0.219 312 G C 1.754 176.703 174.900 0.081 0.000 1.135 312 G CA 1.186 46.333 45.100 0.079 0.000 0.767 312 G HN 0.546 nan 8.290 nan 0.000 0.550 313 S N 0.175 115.929 115.700 0.090 0.000 2.419 313 S HA -0.124 4.346 4.470 0.000 0.000 0.235 313 S C 2.119 176.799 174.600 0.133 0.000 1.019 313 S CA 0.979 59.247 58.200 0.112 0.000 0.982 313 S CB -0.214 63.047 63.200 0.103 0.000 0.789 313 S HN 0.287 nan 8.310 nan 0.000 0.490 314 L N 1.920 123.188 121.223 0.074 0.000 1.970 314 L HA -0.066 4.274 4.340 0.000 0.000 0.212 314 L C 2.255 179.208 176.870 0.139 0.000 1.071 314 L CA 1.786 56.652 54.840 0.044 0.000 0.751 314 L CB -1.071 40.929 42.059 -0.098 0.000 0.889 314 L HN 0.146 nan 8.230 nan 0.000 0.432 315 V N -0.329 119.644 119.914 0.099 0.000 2.295 315 V HA -0.357 3.763 4.120 0.000 0.000 0.246 315 V C 2.633 178.840 176.094 0.189 0.000 1.049 315 V CA 2.029 64.419 62.300 0.150 0.000 1.024 315 V CB -0.669 31.181 31.823 0.045 0.000 0.648 315 V HN 0.575 nan 8.190 nan 0.000 0.447 316 Q N -1.557 118.335 119.800 0.153 0.000 2.082 316 Q HA -0.337 4.003 4.340 0.000 0.000 0.211 316 Q C 2.043 178.147 176.000 0.175 0.000 1.002 316 Q CA 2.739 58.631 55.803 0.149 0.000 0.868 316 Q CB -0.356 28.467 28.738 0.141 0.000 0.931 316 Q HN 0.814 nan 8.270 nan 0.000 0.414 317 W N 0.983 122.308 121.300 0.042 0.000 2.358 317 W HA -0.166 4.493 4.660 -0.000 0.000 0.303 317 W C 1.574 178.113 176.519 0.034 0.000 1.208 317 W CA 1.257 58.621 57.345 0.032 0.000 1.274 317 W CB -0.287 29.182 29.460 0.014 0.000 1.138 317 W HN 0.063 nan 8.180 nan 0.000 0.515 318 L N 0.348 121.598 121.223 0.046 0.000 2.191 318 L HA -0.174 4.166 4.340 0.000 0.000 0.212 318 L C 2.750 179.499 176.870 -0.201 0.000 1.103 318 L CA 1.606 56.349 54.840 -0.160 0.000 0.769 318 L CB -0.756 41.390 42.059 0.145 0.000 0.908 318 L HN 0.070 nan 8.230 nan 0.000 0.438 319 R N -0.125 120.352 120.500 -0.039 0.000 2.074 319 R HA -0.074 4.266 4.340 0.000 0.000 0.218 319 R C 1.698 177.945 176.300 -0.089 0.000 1.137 319 R CA 1.056 57.145 56.100 -0.019 0.000 0.998 319 R CB 0.087 30.452 30.300 0.109 0.000 0.895 319 R HN 0.201 nan 8.270 nan 0.000 0.442 320 D N 0.268 120.625 120.400 -0.073 0.000 2.224 320 D HA -0.078 4.562 4.640 0.000 0.000 0.205 320 D C 0.948 177.157 176.300 -0.151 0.000 0.965 320 D CA 1.112 55.070 54.000 -0.070 0.000 0.852 320 D CB -0.048 40.748 40.800 -0.005 0.000 0.947 320 D HN 0.270 nan 8.370 nan 0.000 0.494 321 N N -0.728 117.776 118.700 -0.326 0.000 2.545 321 N HA 0.160 4.900 4.740 0.000 0.000 0.190 321 N C 1.539 176.780 175.510 -0.449 0.000 1.043 321 N CA 0.163 52.962 53.050 -0.418 0.000 0.879 321 N CB 0.320 38.403 38.487 -0.673 0.000 1.210 321 N HN 0.035 nan 8.380 nan 0.000 0.437 322 L N -0.539 120.338 121.223 -0.578 0.000 2.529 322 L HA 0.304 4.644 4.340 0.000 0.000 0.223 322 L C 0.569 177.273 176.870 -0.277 0.000 1.113 322 L CA 0.375 54.956 54.840 -0.431 0.000 0.861 322 L CB -0.308 41.449 42.059 -0.504 0.000 1.012 322 L HN 0.301 nan 8.230 nan 0.000 0.461 323 G N 1.165 109.819 108.800 -0.243 0.000 2.198 323 G HA2 -0.288 3.672 3.960 0.000 0.000 0.257 323 G HA3 -0.288 3.672 3.960 0.000 0.000 0.257 323 G C 0.102 174.894 174.900 -0.180 0.000 1.042 323 G CA 0.123 45.125 45.100 -0.162 0.000 0.791 323 G HN 0.238 nan 8.290 nan 0.000 0.502 324 M N -1.214 118.225 119.600 -0.268 0.000 2.444 324 M HA 0.629 5.109 4.480 0.000 0.000 0.319 324 M C 1.262 177.407 176.300 -0.258 0.000 1.183 324 M CA -0.523 54.516 55.300 -0.436 0.000 1.032 324 M CB 0.636 32.721 32.600 -0.858 0.000 1.569 324 M HN 0.383 nan 8.290 nan 0.000 0.468 325 F N -1.429 118.521 119.950 0.001 0.000 2.953 325 F HA -0.262 4.265 4.527 0.000 0.000 0.292 325 F C 1.192 176.998 175.800 0.010 0.000 0.747 325 F CA -0.216 57.792 58.000 0.013 0.000 1.222 325 F CB -1.326 37.686 39.000 0.019 0.000 1.457 325 F HN 0.637 nan 8.300 nan 0.000 0.383 326 E N 0.511 120.783 120.200 0.120 0.000 2.472 326 E HA -0.163 4.187 4.350 0.000 0.000 0.200 326 E C 1.709 178.359 176.600 0.083 0.000 1.046 326 E CA 1.132 57.578 56.400 0.076 0.000 0.871 326 E CB -0.083 29.631 29.700 0.024 0.000 0.806 326 E HN 0.550 nan 8.360 nan 0.000 0.533 327 D N 0.110 120.575 120.400 0.110 0.000 2.216 327 D HA 0.028 4.668 4.640 0.000 0.000 0.208 327 D C -0.017 176.349 176.300 0.109 0.000 0.960 327 D CA 0.394 54.451 54.000 0.095 0.000 0.861 327 D CB 0.443 41.304 40.800 0.102 0.000 0.985 327 D HN 0.007 nan 8.370 nan 0.000 0.493 328 A N 0.752 123.663 122.820 0.152 0.000 2.328 328 A HA 0.498 4.819 4.320 0.000 0.000 0.318 328 A C -1.957 175.684 177.584 0.095 0.000 1.347 328 A CA -1.118 50.992 52.037 0.122 0.000 0.842 328 A CB 1.552 20.612 19.000 0.100 0.000 1.148 328 A HN -0.099 nan 8.150 nan 0.000 0.499 329 P HA -0.068 nan 4.420 nan 0.000 0.218 329 P C -0.006 177.318 177.300 0.040 0.000 1.149 329 P CA 1.131 64.273 63.100 0.071 0.000 0.817 329 P CB 0.344 32.089 31.700 0.076 0.000 0.785 330 D N -0.507 119.934 120.400 0.069 0.000 2.441 330 D HA 0.094 4.734 4.640 0.000 0.000 0.231 330 D C 0.904 177.133 176.300 -0.118 0.000 1.073 330 D CA -0.379 53.608 54.000 -0.021 0.000 0.850 330 D CB 1.656 42.495 40.800 0.064 0.000 1.062 330 D HN -0.264 nan 8.370 nan 0.000 0.524 331 V N 3.844 123.597 119.914 -0.269 0.000 2.970 331 V HA -0.137 3.984 4.120 0.000 0.000 0.260 331 V C 2.241 178.118 176.094 -0.363 0.000 1.100 331 V CA 1.307 63.355 62.300 -0.420 0.000 1.122 331 V CB -0.260 31.182 31.823 -0.635 0.000 0.721 331 V HN 0.615 nan 8.190 nan 0.000 0.483 332 E N -0.847 119.085 120.200 -0.446 0.000 2.267 332 E HA -0.274 4.076 4.350 0.000 0.000 0.197 332 E C 1.890 178.217 176.600 -0.457 0.000 0.998 332 E CA 1.737 57.815 56.400 -0.537 0.000 0.830 332 E CB -0.137 29.102 29.700 -0.768 0.000 0.751 332 E HN 0.831 nan 8.360 nan 0.000 0.491 333 W N 0.075 121.310 121.300 -0.110 0.000 2.576 333 W HA 0.069 4.729 4.660 0.000 0.000 0.270 333 W C 2.045 178.514 176.519 -0.083 0.000 1.255 333 W CA -0.235 57.062 57.345 -0.080 0.000 1.314 333 W CB 0.053 29.477 29.460 -0.060 0.000 1.101 333 W HN 0.054 nan 8.180 nan 0.000 0.595 334 L N -0.016 121.245 121.223 0.064 0.000 2.095 334 L HA -0.031 4.309 4.340 0.000 0.000 0.204 334 L C 2.668 179.514 176.870 -0.039 0.000 1.080 334 L CA 1.066 55.914 54.840 0.014 0.000 0.759 334 L CB -1.208 40.840 42.059 -0.020 0.000 0.914 334 L HN -0.045 nan 8.230 nan 0.000 0.439 335 A N 0.505 123.263 122.820 -0.103 0.000 2.019 335 A HA -0.105 4.215 4.320 0.000 0.000 0.219 335 A C 2.271 179.799 177.584 -0.092 0.000 1.164 335 A CA 1.586 53.551 52.037 -0.119 0.000 0.644 335 A CB -1.012 17.884 19.000 -0.174 0.000 0.805 335 A HN 0.449 nan 8.150 nan 0.000 0.449 336 G N -0.670 108.099 108.800 -0.051 0.000 2.650 336 G HA2 -0.076 3.885 3.960 0.000 0.000 0.214 336 G HA3 -0.076 3.885 3.960 0.000 0.000 0.214 336 G C 1.430 176.336 174.900 0.010 0.000 1.136 336 G CA 0.617 45.713 45.100 -0.007 0.000 0.789 336 G HN 0.586 nan 8.290 nan 0.000 0.536 337 K N -0.177 120.219 120.400 -0.007 0.000 2.366 337 K HA 0.117 4.438 4.320 0.000 0.000 0.198 337 K C 0.641 177.214 176.600 -0.045 0.000 1.044 337 K CA 0.355 56.633 56.287 -0.015 0.000 0.973 337 K CB 0.296 32.782 32.500 -0.022 0.000 0.767 337 K HN 0.378 nan 8.250 nan 0.000 0.475 338 V N -1.971 117.899 119.914 -0.074 0.000 2.960 338 V HA 0.275 4.395 4.120 0.000 0.000 0.315 338 V C 0.310 176.391 176.094 -0.022 0.000 1.087 338 V CA -0.991 61.270 62.300 -0.065 0.000 0.982 338 V CB 2.021 33.733 31.823 -0.185 0.000 1.039 338 V HN -0.211 nan 8.190 nan 0.000 0.437 339 Q N 1.331 121.140 119.800 0.016 0.000 2.424 339 Q HA 0.225 4.565 4.340 0.000 0.000 0.204 339 Q C -0.009 176.001 176.000 0.016 0.000 0.933 339 Q CA 1.020 56.833 55.803 0.017 0.000 0.929 339 Q CB -0.100 28.656 28.738 0.030 0.000 1.037 339 Q HN 1.139 nan 8.270 nan 0.000 0.511 340 D N -2.418 118.009 120.400 0.045 0.000 2.759 340 D HA 0.071 4.711 4.640 0.000 0.000 0.321 340 D C 0.106 176.444 176.300 0.064 0.000 1.267 340 D CA -0.659 53.355 54.000 0.024 0.000 0.933 340 D CB -0.192 40.631 40.800 0.038 0.000 1.431 340 D HN -0.154 nan 8.370 nan 0.000 0.504 341 N N -0.665 118.018 118.700 -0.029 0.000 2.521 341 N HA 0.124 4.864 4.740 0.000 0.000 0.188 341 N C 1.578 177.036 175.510 -0.086 0.000 1.146 341 N CA 0.556 53.569 53.050 -0.061 0.000 0.893 341 N CB -0.077 38.267 38.487 -0.238 0.000 0.975 341 N HN 0.926 nan 8.380 nan 0.000 0.451 342 G N -1.232 107.496 108.800 -0.120 0.000 2.166 342 G HA2 -0.137 3.823 3.960 0.000 0.000 0.260 342 G HA3 -0.137 3.823 3.960 0.000 0.000 0.260 342 G C 0.908 175.669 174.900 -0.231 0.000 0.986 342 G CA 0.614 45.479 45.100 -0.391 0.000 0.683 342 G HN 1.431 nan 8.290 nan 0.000 0.527 343 G N -2.019 106.697 108.800 -0.141 0.000 2.213 343 G HA2 0.262 4.222 3.960 0.000 0.000 0.226 343 G HA3 0.262 4.222 3.960 0.000 0.000 0.226 343 G C 0.701 175.569 174.900 -0.054 0.000 0.992 343 G CA 1.089 46.172 45.100 -0.029 0.000 0.632 343 G HN 2.248 nan 8.290 nan 0.000 0.511 344 A N -0.178 122.517 122.820 -0.209 0.000 2.327 344 A HA 0.820 5.140 4.320 0.000 0.000 0.283 344 A C -0.669 176.687 177.584 -0.380 0.000 1.127 344 A CA -0.198 51.728 52.037 -0.185 0.000 0.810 344 A CB 0.564 19.458 19.000 -0.176 0.000 1.066 344 A HN 0.831 nan 8.150 nan 0.000 0.492 345 Y N -0.052 120.247 120.300 -0.002 0.000 2.421 345 Y HA 0.476 5.026 4.550 0.000 0.000 0.339 345 Y C -0.707 175.246 175.900 0.087 0.000 0.996 345 Y CA -0.398 57.800 58.100 0.164 0.000 1.046 345 Y CB 2.011 40.607 38.460 0.228 0.000 1.226 345 Y HN 0.625 nan 8.280 nan 0.000 0.445 346 F N 2.332 122.553 119.950 0.452 0.000 2.408 346 F HA 0.516 5.043 4.527 0.000 0.000 0.344 346 F C -0.130 175.909 175.800 0.398 0.000 1.112 346 F CA -0.908 57.298 58.000 0.342 0.000 1.096 346 F CB 1.215 40.397 39.000 0.302 0.000 1.129 346 F HN 0.125 nan 8.300 nan 0.000 0.486 347 V N 6.077 126.239 119.914 0.413 0.000 2.220 347 V HA 0.222 4.342 4.120 0.000 0.000 0.265 347 V C -2.171 174.018 176.094 0.158 0.000 1.078 347 V CA -1.903 60.501 62.300 0.173 0.000 0.872 347 V CB 0.101 31.902 31.823 -0.036 0.000 1.121 347 V HN 0.488 nan 8.190 nan 0.000 0.460 348 P HA 0.156 nan 4.420 nan 0.000 0.269 348 P C 0.150 177.438 177.300 -0.021 0.000 1.209 348 P CA 0.105 63.249 63.100 0.074 0.000 0.776 348 P CB 0.662 32.441 31.700 0.132 0.000 0.876 349 A N 2.894 125.622 122.820 -0.153 0.000 2.561 349 A HA 0.148 4.468 4.320 0.000 0.000 0.234 349 A C 0.337 177.795 177.584 -0.210 0.000 1.055 349 A CA 0.115 51.928 52.037 -0.373 0.000 0.756 349 A CB -1.376 17.290 19.000 -0.558 0.000 0.986 349 A HN 0.651 nan 8.150 nan 0.000 0.505 350 F N 0.458 120.389 119.950 -0.030 0.000 3.034 350 F HA -0.303 4.224 4.527 0.001 0.000 0.286 350 F C 1.833 177.607 175.800 -0.044 0.000 0.804 350 F CA 0.859 58.837 58.000 -0.037 0.000 1.161 350 F CB -2.172 36.809 39.000 -0.033 0.000 1.317 350 F HN 0.707 nan 8.300 nan 0.000 0.453 351 S N -0.542 115.202 115.700 0.073 0.000 2.496 351 S HA 0.185 4.655 4.470 0.000 0.000 0.224 351 S C 1.596 176.175 174.600 -0.036 0.000 0.996 351 S CA 0.455 58.704 58.200 0.082 0.000 0.927 351 S CB 0.193 63.477 63.200 0.139 0.000 0.774 351 S HN 0.565 nan 8.310 nan 0.000 0.524 352 G N 1.529 110.278 108.800 -0.086 0.000 3.197 352 G HA2 0.410 4.370 3.960 0.000 0.000 0.257 352 G HA3 0.410 4.370 3.960 0.000 0.000 0.257 352 G C 0.567 175.326 174.900 -0.234 0.000 0.835 352 G CA -0.393 44.614 45.100 -0.155 0.000 2.001 352 G HN 0.466 nan 8.290 nan 0.000 0.625 353 L N -0.504 120.472 121.223 -0.412 0.000 2.201 353 L HA 0.142 4.482 4.340 0.000 0.000 0.212 353 L C 1.064 177.256 176.870 -1.130 0.000 1.105 353 L CA 0.883 55.239 54.840 -0.807 0.000 0.775 353 L CB -0.170 41.129 42.059 -1.267 0.000 0.913 353 L HN 0.405 nan 8.230 nan 0.000 0.440 354 F N -2.111 117.521 119.950 -0.529 0.000 3.145 354 F HA 0.558 5.085 4.527 -0.000 0.000 0.324 354 F C 0.872 175.537 175.800 -1.892 0.000 1.467 354 F CA -1.098 56.027 58.000 -1.458 0.000 1.048 354 F CB -0.404 38.138 39.000 -0.764 0.000 1.698 354 F HN -0.387 nan 8.300 nan 0.000 0.427 355 A N 1.246 122.838 122.820 -2.047 0.000 2.586 355 A HA 0.170 4.490 4.320 0.000 0.000 0.231 355 A C -1.796 175.374 177.584 -0.690 0.000 1.055 355 A CA -0.627 50.579 52.037 -1.385 0.000 0.756 355 A CB -0.764 17.906 19.000 -0.550 0.000 0.988 355 A HN 0.475 nan 8.150 nan 0.000 0.509 356 P HA -0.030 nan 4.420 nan 0.000 0.222 356 P C 0.364 177.436 177.300 -0.380 0.000 1.153 356 P CA 1.569 64.321 63.100 -0.579 0.000 0.798 356 P CB -0.016 31.096 31.700 -0.979 0.000 0.796 357 Y N -4.325 116.014 120.300 0.065 0.000 2.467 357 Y HA 0.210 4.760 4.550 -0.000 0.000 0.259 357 Y C 0.838 177.050 175.900 0.520 0.000 1.084 357 Y CA -0.597 57.687 58.100 0.306 0.000 1.275 357 Y CB 0.038 38.570 38.460 0.120 0.000 1.208 357 Y HN -0.228 nan 8.280 nan 0.000 0.511 358 W N 1.572 122.963 121.300 0.151 0.000 4.435 358 W HA -0.236 4.424 4.660 -0.000 0.000 0.351 358 W C -0.037 176.532 176.519 0.084 0.000 1.319 358 W CA 0.648 58.051 57.345 0.097 0.000 0.791 358 W CB -1.336 28.200 29.460 0.126 0.000 2.419 358 W HN 0.093 nan 8.180 nan 0.000 1.406 359 R N 1.001 121.645 120.500 0.240 0.000 2.477 359 R HA 0.254 4.594 4.340 0.000 0.000 0.285 359 R C -2.096 174.269 176.300 0.107 0.000 1.415 359 R CA -1.391 54.809 56.100 0.167 0.000 1.446 359 R CB 0.858 31.241 30.300 0.139 0.000 1.110 359 R HN -0.274 nan 8.270 nan 0.000 0.590 360 P HA 0.025 nan 4.420 nan 0.000 0.265 360 P C -0.657 176.761 177.300 0.196 0.000 1.193 360 P CA 0.315 63.503 63.100 0.146 0.000 0.765 360 P CB 0.962 32.782 31.700 0.199 0.000 0.823 361 D N 1.314 121.747 120.400 0.055 0.000 2.527 361 D HA 0.348 4.988 4.640 0.000 0.000 0.233 361 D C 0.522 176.454 176.300 -0.613 0.000 1.063 361 D CA -0.750 53.190 54.000 -0.100 0.000 0.880 361 D CB 2.425 43.168 40.800 -0.096 0.000 1.457 361 D HN 0.196 nan 8.370 nan 0.000 0.475 362 A N 3.031 125.473 122.820 -0.630 0.000 2.121 362 A HA -0.029 4.291 4.320 0.000 0.000 0.218 362 A C 1.033 178.274 177.584 -0.571 0.000 1.154 362 A CA 0.702 52.165 52.037 -0.956 0.000 0.679 362 A CB -0.008 18.833 19.000 -0.266 0.000 0.795 362 A HN 0.468 nan 8.150 nan 0.000 0.458 363 R N -0.231 120.073 120.500 -0.327 0.000 2.265 363 R HA 0.471 4.811 4.340 0.000 0.000 0.314 363 R C 0.520 176.736 176.300 -0.140 0.000 1.053 363 R CA 0.354 56.361 56.100 -0.155 0.000 0.931 363 R CB 1.185 31.489 30.300 0.007 0.000 1.024 363 R HN 0.324 nan 8.270 nan 0.000 0.457 364 G N 0.626 109.347 108.800 -0.132 0.000 3.016 364 G HA2 0.820 4.780 3.960 0.000 0.000 0.270 364 G HA3 0.820 4.780 3.960 0.000 0.000 0.270 364 G C -1.371 173.514 174.900 -0.024 0.000 1.352 364 G CA -0.447 44.600 45.100 -0.088 0.000 1.060 364 G HN 0.673 nan 8.290 nan 0.000 0.538 365 A N -1.644 121.193 122.820 0.027 0.000 2.599 365 A HA 0.717 5.037 4.320 0.000 0.000 0.290 365 A C -2.147 175.517 177.584 0.133 0.000 1.101 365 A CA -0.513 51.541 52.037 0.028 0.000 0.674 365 A CB 1.781 20.746 19.000 -0.058 0.000 1.277 365 A HN 1.659 nan 8.150 nan 0.000 0.419 366 L N 1.118 122.368 121.223 0.045 0.000 2.446 366 L HA 0.706 5.046 4.340 0.000 0.000 0.268 366 L C -0.601 176.212 176.870 -0.096 0.000 0.975 366 L CA -0.437 54.359 54.840 -0.073 0.000 0.848 366 L CB 1.470 43.444 42.059 -0.142 0.000 1.225 366 L HN 1.374 nan 8.230 nan 0.000 0.410 367 V N 1.871 121.749 119.914 -0.060 0.000 3.103 367 V HA 1.002 5.122 4.120 0.000 0.000 0.318 367 V C 0.755 176.863 176.094 0.022 0.000 1.114 367 V CA -0.066 62.215 62.300 -0.031 0.000 1.020 367 V CB 1.361 33.166 31.823 -0.029 0.000 1.085 367 V HN 1.450 nan 8.190 nan 0.000 0.446 368 G N 1.025 109.838 108.800 0.022 0.000 2.182 368 G HA2 -0.167 3.793 3.960 0.000 0.000 0.248 368 G HA3 -0.167 3.793 3.960 0.000 0.000 0.248 368 G C -0.330 174.565 174.900 -0.008 0.000 1.042 368 G CA 0.349 45.480 45.100 0.051 0.000 0.775 368 G HN 1.015 nan 8.290 nan 0.000 0.501 369 L N 1.190 122.389 121.223 -0.039 0.000 2.331 369 L HA 0.647 4.987 4.340 0.000 0.000 0.278 369 L C 1.088 177.928 176.870 -0.049 0.000 1.106 369 L CA 0.265 55.073 54.840 -0.054 0.000 0.824 369 L CB 1.161 43.183 42.059 -0.062 0.000 1.142 369 L HN 0.473 nan 8.230 nan 0.000 0.443 370 T N -1.367 113.155 114.554 -0.053 0.000 2.838 370 T HA 0.291 4.642 4.350 0.000 0.000 0.292 370 T C 0.708 175.349 174.700 -0.098 0.000 1.113 370 T CA -0.936 61.127 62.100 -0.062 0.000 1.008 370 T CB 1.803 70.654 68.868 -0.030 0.000 1.259 370 T HN 0.536 nan 8.240 nan 0.000 0.520 371 R N -0.805 119.584 120.500 -0.184 0.000 2.200 371 R HA -0.073 4.267 4.340 0.000 0.000 0.234 371 R C 0.846 176.926 176.300 -0.367 0.000 1.127 371 R CA 1.486 57.390 56.100 -0.326 0.000 0.989 371 R CB -0.301 29.684 30.300 -0.525 0.000 0.869 371 R HN 0.784 nan 8.270 nan 0.000 0.459 372 Y N -0.966 119.325 120.300 -0.015 0.000 2.458 372 Y HA 0.146 4.696 4.550 0.000 0.000 0.254 372 Y C 0.533 176.450 175.900 0.028 0.000 1.120 372 Y CA -0.656 57.448 58.100 0.006 0.000 1.282 372 Y CB 0.890 39.347 38.460 -0.005 0.000 1.109 372 Y HN -0.220 nan 8.280 nan 0.000 0.526 373 V N 3.226 123.190 119.914 0.083 0.000 2.655 373 V HA -0.042 4.078 4.120 0.000 0.000 0.300 373 V C -0.153 176.081 176.094 0.233 0.000 1.044 373 V CA -0.007 62.347 62.300 0.090 0.000 1.095 373 V CB 0.149 31.955 31.823 -0.027 0.000 0.952 373 V HN 0.489 nan 8.190 nan 0.000 0.485 374 N N 3.836 122.792 118.700 0.427 0.000 3.038 374 N HA 0.384 5.124 4.740 0.000 0.000 0.307 374 N C 0.603 176.213 175.510 0.168 0.000 1.441 374 N CA -0.908 52.267 53.050 0.207 0.000 0.772 374 N CB 0.683 39.260 38.487 0.150 0.000 1.651 374 N HN 0.426 nan 8.380 nan 0.000 0.593 375 R N -0.904 119.668 120.500 0.120 0.000 2.285 375 R HA 0.088 4.428 4.340 0.000 0.000 0.213 375 R C 0.066 176.509 176.300 0.238 0.000 1.068 375 R CA 0.862 57.076 56.100 0.190 0.000 1.004 375 R CB -0.588 29.809 30.300 0.162 0.000 0.873 375 R HN 0.393 nan 8.270 nan 0.000 0.467 376 N N 0.905 119.639 118.700 0.056 0.000 2.171 376 N HA -0.112 4.628 4.740 0.000 0.000 0.184 376 N C 1.480 176.935 175.510 -0.093 0.000 1.021 376 N CA 1.201 54.215 53.050 -0.061 0.000 0.854 376 N CB -0.421 37.942 38.487 -0.207 0.000 0.994 376 N HN 0.429 nan 8.380 nan 0.000 0.426 377 H N 0.738 119.845 119.070 0.062 0.000 2.357 377 H HA 0.036 4.592 4.556 0.000 0.000 0.301 377 H C 1.952 177.305 175.328 0.042 0.000 1.082 377 H CA 0.632 56.691 56.048 0.019 0.000 1.342 377 H CB 0.009 29.773 29.762 0.004 0.000 1.389 377 H HN 0.117 nan 8.280 nan 0.000 0.511 378 I N 1.066 121.778 120.570 0.237 0.000 2.226 378 I HA -0.173 3.997 4.170 0.000 0.000 0.245 378 I C 2.771 179.125 176.117 0.396 0.000 1.100 378 I CA 1.000 62.472 61.300 0.288 0.000 1.374 378 I CB -1.378 36.814 38.000 0.320 0.000 1.057 378 I HN 0.104 nan 8.210 nan 0.000 0.413 379 A N 0.764 123.780 122.820 0.327 0.000 1.908 379 A HA -0.253 4.067 4.320 0.000 0.000 0.218 379 A C 2.575 180.162 177.584 0.005 0.000 1.181 379 A CA 2.002 54.090 52.037 0.085 0.000 0.627 379 A CB -0.689 18.212 19.000 -0.165 0.000 0.818 379 A HN 0.387 nan 8.150 nan 0.000 0.445 380 R N -0.590 119.904 120.500 -0.010 0.000 2.073 380 R HA -0.005 4.335 4.340 0.000 0.000 0.229 380 R C 2.299 178.541 176.300 -0.096 0.000 1.120 380 R CA 1.293 57.329 56.100 -0.107 0.000 0.967 380 R CB -0.394 29.828 30.300 -0.130 0.000 0.862 380 R HN 0.419 nan 8.270 nan 0.000 0.436 381 A N 0.911 123.750 122.820 0.032 0.000 1.902 381 A HA -0.115 4.205 4.320 0.000 0.000 0.217 381 A C 2.364 180.144 177.584 0.326 0.000 1.181 381 A CA 1.675 53.780 52.037 0.113 0.000 0.623 381 A CB -0.805 18.241 19.000 0.077 0.000 0.818 381 A HN 0.538 nan 8.150 nan 0.000 0.443 382 A N -0.192 122.883 122.820 0.426 0.000 1.883 382 A HA -0.092 4.228 4.320 0.000 0.000 0.217 382 A C 2.181 179.801 177.584 0.060 0.000 1.186 382 A CA 1.644 53.832 52.037 0.251 0.000 0.624 382 A CB -0.623 18.458 19.000 0.134 0.000 0.822 382 A HN 0.489 nan 8.150 nan 0.000 0.444 383 L N -1.003 120.199 121.223 -0.035 0.000 2.072 383 L HA -0.158 4.182 4.340 0.000 0.000 0.205 383 L C 2.546 179.314 176.870 -0.170 0.000 1.079 383 L CA 1.398 56.167 54.840 -0.118 0.000 0.752 383 L CB -0.656 41.287 42.059 -0.195 0.000 0.906 383 L HN 0.442 nan 8.230 nan 0.000 0.436 384 E N 0.406 120.435 120.200 -0.285 0.000 2.130 384 E HA -0.260 4.090 4.350 0.000 0.000 0.196 384 E C 2.270 178.612 176.600 -0.430 0.000 0.998 384 E CA 1.200 57.276 56.400 -0.542 0.000 0.806 384 E CB -0.160 29.142 29.700 -0.664 0.000 0.738 384 E HN 0.518 nan 8.360 nan 0.000 0.459 385 A N 0.579 123.376 122.820 -0.039 0.000 1.972 385 A HA -0.156 4.164 4.320 0.000 0.000 0.219 385 A C 2.305 179.915 177.584 0.043 0.000 1.169 385 A CA 1.622 53.743 52.037 0.140 0.000 0.635 385 A CB -0.564 18.660 19.000 0.372 0.000 0.810 385 A HN 0.152 nan 8.150 nan 0.000 0.446 386 T N -0.088 114.471 114.554 0.009 0.000 2.857 386 T HA 0.065 4.415 4.350 0.000 0.000 0.266 386 T C 2.215 176.916 174.700 0.000 0.000 1.048 386 T CA 1.313 63.435 62.100 0.036 0.000 1.139 386 T CB -0.303 68.616 68.868 0.085 0.000 0.874 386 T HN 0.577 nan 8.240 nan 0.000 0.455 387 A N 0.632 123.410 122.820 -0.069 0.000 1.898 387 A HA 0.049 4.369 4.320 0.000 0.000 0.216 387 A C 2.006 179.487 177.584 -0.172 0.000 1.181 387 A CA 1.157 53.124 52.037 -0.117 0.000 0.620 387 A CB -0.970 17.957 19.000 -0.121 0.000 0.819 387 A HN 0.547 nan 8.150 nan 0.000 0.442 388 F N 0.024 119.825 119.950 -0.249 0.000 2.102 388 F HA -0.238 4.290 4.527 0.001 0.000 0.298 388 F C 2.872 178.450 175.800 -0.370 0.000 1.105 388 F CA 1.423 59.101 58.000 -0.537 0.000 1.239 388 F CB -0.304 37.798 39.000 -1.498 0.000 0.991 388 F HN 0.268 nan 8.300 nan 0.000 0.474 389 Q N -0.043 119.734 119.800 -0.038 0.000 2.170 389 Q HA -0.152 4.188 4.340 0.000 0.000 0.203 389 Q C 2.178 178.273 176.000 0.158 0.000 0.976 389 Q CA 1.687 57.615 55.803 0.209 0.000 0.858 389 Q CB -0.288 28.593 28.738 0.238 0.000 0.907 389 Q HN 0.335 nan 8.270 nan 0.000 0.433 390 S N 0.733 116.462 115.700 0.047 0.000 2.387 390 S HA -0.123 4.348 4.470 0.000 0.000 0.226 390 S C 1.762 176.380 174.600 0.030 0.000 1.026 390 S CA 0.823 59.029 58.200 0.010 0.000 0.972 390 S CB -0.151 63.013 63.200 -0.060 0.000 0.814 390 S HN 0.311 nan 8.310 nan 0.000 0.477 391 R N 1.706 122.207 120.500 0.003 0.000 2.096 391 R HA -0.150 4.190 4.340 0.000 0.000 0.235 391 R C 2.349 178.705 176.300 0.093 0.000 1.127 391 R CA 1.683 57.746 56.100 -0.062 0.000 0.968 391 R CB -0.169 29.935 30.300 -0.326 0.000 0.861 391 R HN 0.706 nan 8.270 nan 0.000 0.440 392 E N -0.560 119.824 120.200 0.306 0.000 2.152 392 E HA -0.105 4.245 4.350 0.000 0.000 0.192 392 E C 1.750 178.478 176.600 0.214 0.000 0.983 392 E CA 1.147 57.780 56.400 0.389 0.000 0.818 392 E CB -0.130 29.938 29.700 0.614 0.000 0.758 392 E HN 0.132 nan 8.360 nan 0.000 0.467 393 V N 1.387 121.484 119.914 0.306 0.000 2.379 393 V HA -0.204 3.916 4.120 0.000 0.000 0.245 393 V C 2.438 178.553 176.094 0.035 0.000 1.044 393 V CA 1.250 63.693 62.300 0.238 0.000 1.036 393 V CB -0.076 31.894 31.823 0.245 0.000 0.664 393 V HN 0.196 nan 8.190 nan 0.000 0.453 394 V N 0.384 120.316 119.914 0.030 0.000 2.287 394 V HA -0.284 3.836 4.120 0.000 0.000 0.248 394 V C 2.307 178.378 176.094 -0.038 0.000 1.053 394 V CA 2.301 64.596 62.300 -0.008 0.000 1.027 394 V CB -0.711 31.099 31.823 -0.022 0.000 0.646 394 V HN 0.557 nan 8.190 nan 0.000 0.447 395 D N 0.382 120.758 120.400 -0.041 0.000 2.144 395 D HA -0.125 4.515 4.640 0.000 0.000 0.199 395 D C 2.188 178.410 176.300 -0.128 0.000 0.984 395 D CA 1.649 55.618 54.000 -0.050 0.000 0.834 395 D CB -0.348 40.465 40.800 0.022 0.000 0.955 395 D HN 0.462 nan 8.370 nan 0.000 0.465 396 A N 0.294 122.935 122.820 -0.297 0.000 1.969 396 A HA -0.104 4.216 4.320 0.000 0.000 0.218 396 A C 2.222 179.714 177.584 -0.154 0.000 1.169 396 A CA 1.004 52.806 52.037 -0.392 0.000 0.635 396 A CB -0.420 17.962 19.000 -1.030 0.000 0.810 396 A HN 0.150 nan 8.150 nan 0.000 0.445 397 M N -0.636 118.907 119.600 -0.094 0.000 2.156 397 M HA -0.113 4.367 4.480 0.000 0.000 0.264 397 M C 1.914 178.201 176.300 -0.021 0.000 1.067 397 M CA 1.331 56.616 55.300 -0.024 0.000 1.131 397 M CB -0.528 32.073 32.600 0.001 0.000 1.368 397 M HN 0.528 nan 8.290 nan 0.000 0.416 398 N N 0.681 119.364 118.700 -0.030 0.000 2.058 398 N HA -0.109 4.631 4.740 0.000 0.000 0.191 398 N C 1.731 177.232 175.510 -0.015 0.000 1.037 398 N CA 1.249 54.289 53.050 -0.018 0.000 0.848 398 N CB -0.184 38.293 38.487 -0.016 0.000 1.021 398 N HN 0.277 nan 8.380 nan 0.000 0.422 399 A N 0.926 123.733 122.820 -0.022 0.000 2.131 399 A HA -0.160 4.160 4.320 0.000 0.000 0.220 399 A C 1.317 178.897 177.584 -0.006 0.000 1.158 399 A CA 1.528 53.559 52.037 -0.009 0.000 0.665 399 A CB -0.118 18.879 19.000 -0.005 0.000 0.795 399 A HN 0.200 nan 8.150 nan 0.000 0.460 400 D N -1.299 119.096 120.400 -0.009 0.000 2.301 400 D HA 0.009 4.650 4.640 0.000 0.000 0.206 400 D C 2.006 178.303 176.300 -0.006 0.000 0.979 400 D CA 1.466 55.464 54.000 -0.003 0.000 0.874 400 D CB 0.260 41.064 40.800 0.006 0.000 0.968 400 D HN 0.585 nan 8.370 nan 0.000 0.510 401 S N -2.332 113.365 115.700 -0.005 0.000 2.653 401 S HA 0.328 4.798 4.470 0.000 0.000 0.259 401 S C 1.598 176.196 174.600 -0.003 0.000 1.076 401 S CA 0.446 58.643 58.200 -0.005 0.000 1.051 401 S CB 1.073 64.273 63.200 0.000 0.000 0.994 401 S HN 0.159 nan 8.310 nan 0.000 0.552 402 G N 1.144 109.942 108.800 -0.003 0.000 2.182 402 G HA2 -0.187 3.773 3.960 0.000 0.000 0.248 402 G HA3 -0.187 3.773 3.960 0.000 0.000 0.248 402 G C -0.145 174.755 174.900 -0.001 0.000 1.042 402 G CA 0.094 45.193 45.100 -0.002 0.000 0.775 402 G HN 0.936 nan 8.290 nan 0.000 0.501 403 V N 1.616 121.530 119.914 0.000 0.000 2.277 403 V HA 0.281 4.401 4.120 0.000 0.000 0.269 403 V C -0.046 176.048 176.094 -0.001 0.000 1.036 403 V CA -1.090 61.212 62.300 0.002 0.000 0.821 403 V CB 1.174 33.001 31.823 0.007 0.000 1.052 403 V HN 0.308 nan 8.190 nan 0.000 0.462 404 D N 3.696 124.094 120.400 -0.003 0.000 2.450 404 D HA 0.112 4.752 4.640 0.000 0.000 0.247 404 D C 0.175 176.470 176.300 -0.008 0.000 1.162 404 D CA -0.089 53.907 54.000 -0.007 0.000 0.879 404 D CB 1.264 42.060 40.800 -0.007 0.000 1.163 404 D HN 0.356 nan 8.370 nan 0.000 0.472 405 L N 2.844 124.060 121.223 -0.011 0.000 2.540 405 L HA 0.001 4.341 4.340 0.000 0.000 0.276 405 L C 1.489 178.351 176.870 -0.014 0.000 1.212 405 L CA 0.733 55.566 54.840 -0.012 0.000 0.893 405 L CB 0.476 42.525 42.059 -0.016 0.000 1.138 405 L HN 0.525 nan 8.230 nan 0.000 0.491 406 T N 0.869 115.414 114.554 -0.015 0.000 3.040 406 T HA 0.222 4.572 4.350 0.000 0.000 0.252 406 T C 0.412 175.101 174.700 -0.017 0.000 1.064 406 T CA 0.440 62.529 62.100 -0.017 0.000 1.110 406 T CB -0.063 68.791 68.868 -0.022 0.000 0.921 406 T HN 0.706 nan 8.240 nan 0.000 0.480 407 E N -0.443 119.747 120.200 -0.018 0.000 2.472 407 E HA 0.414 4.764 4.350 0.000 0.000 0.290 407 E C -2.415 174.183 176.600 -0.003 0.000 1.059 407 E CA -0.822 55.572 56.400 -0.010 0.000 0.861 407 E CB 1.474 31.156 29.700 -0.030 0.000 1.213 407 E HN 0.129 nan 8.360 nan 0.000 0.425 408 L N 4.144 125.383 121.223 0.027 0.000 2.298 408 L HA 0.539 4.879 4.340 0.000 0.000 0.284 408 L C -0.822 176.097 176.870 0.082 0.000 1.013 408 L CA -0.318 54.550 54.840 0.046 0.000 0.824 408 L CB 0.957 43.050 42.059 0.057 0.000 1.221 408 L HN 0.466 nan 8.230 nan 0.000 0.418 409 R N 4.625 125.166 120.500 0.067 0.000 2.368 409 R HA 0.676 5.016 4.340 0.000 0.000 0.302 409 R C -0.930 175.470 176.300 0.167 0.000 1.002 409 R CA -0.696 55.477 56.100 0.122 0.000 0.929 409 R CB 1.661 31.999 30.300 0.063 0.000 1.073 409 R HN 0.523 nan 8.270 nan 0.000 0.464 410 V N -0.935 119.109 119.914 0.218 0.000 2.680 410 V HA 0.638 4.758 4.120 0.000 0.000 0.309 410 V C -0.803 175.423 176.094 0.221 0.000 1.052 410 V CA -1.004 61.447 62.300 0.251 0.000 0.908 410 V CB 1.931 33.904 31.823 0.250 0.000 1.001 410 V HN 0.871 nan 8.190 nan 0.000 0.431 411 D N 1.278 121.821 120.400 0.238 0.000 2.636 411 D HA 0.915 5.555 4.640 0.000 0.000 0.275 411 D C 0.152 176.579 176.300 0.212 0.000 1.130 411 D CA -0.049 54.062 54.000 0.186 0.000 1.031 411 D CB 1.433 42.324 40.800 0.153 0.000 1.451 411 D HN 1.706 nan 8.370 nan 0.000 0.505 412 G N -2.064 106.829 108.800 0.155 0.000 2.541 412 G HA2 0.332 4.292 3.960 0.000 0.000 0.686 412 G HA3 0.332 4.292 3.960 0.000 0.000 0.686 412 G C 0.682 175.649 174.900 0.112 0.000 1.286 412 G CA -0.026 45.169 45.100 0.157 0.000 0.894 412 G HN 1.102 nan 8.290 nan 0.000 0.575 413 G N -0.963 107.898 108.800 0.101 0.000 2.448 413 G HA2 0.070 4.030 3.960 0.000 0.000 0.219 413 G HA3 0.070 4.030 3.960 0.000 0.000 0.219 413 G C 1.613 176.519 174.900 0.008 0.000 1.127 413 G CA 2.053 47.187 45.100 0.057 0.000 0.766 413 G HN 0.680 nan 8.290 nan 0.000 0.552 414 M N 1.142 120.737 119.600 -0.008 0.000 2.556 414 M HA 0.139 4.619 4.480 0.000 0.000 0.245 414 M C 2.305 178.444 176.300 -0.269 0.000 1.128 414 M CA 0.037 55.257 55.300 -0.133 0.000 1.069 414 M CB 0.295 32.825 32.600 -0.117 0.000 1.469 414 M HN 0.137 nan 8.290 nan 0.000 0.494 415 V N -2.335 117.456 119.914 -0.205 0.000 3.241 415 V HA 0.042 4.163 4.120 0.000 0.000 0.269 415 V C 1.871 177.912 176.094 -0.088 0.000 1.151 415 V CA 1.345 63.524 62.300 -0.201 0.000 1.158 415 V CB -1.820 29.972 31.823 -0.052 0.000 0.764 415 V HN 0.338 nan 8.190 nan 0.000 0.508 416 A N 0.653 123.428 122.820 -0.075 0.000 2.167 416 A HA 0.053 4.373 4.320 0.000 0.000 0.214 416 A C 1.466 178.994 177.584 -0.094 0.000 1.151 416 A CA 0.680 52.698 52.037 -0.032 0.000 0.735 416 A CB -0.624 18.366 19.000 -0.016 0.000 0.802 416 A HN 0.570 nan 8.150 nan 0.000 0.467 417 N N 1.082 119.662 118.700 -0.199 0.000 2.448 417 N HA 0.045 4.785 4.740 0.000 0.000 0.250 417 N C 0.471 175.797 175.510 -0.306 0.000 1.136 417 N CA 0.063 52.944 53.050 -0.283 0.000 0.953 417 N CB 0.384 38.680 38.487 -0.318 0.000 1.251 417 N HN 0.435 nan 8.380 nan 0.000 0.502 418 E N 2.395 122.480 120.200 -0.192 0.000 2.150 418 E HA -0.174 4.176 4.350 0.000 0.000 0.193 418 E C 1.627 178.080 176.600 -0.244 0.000 0.985 418 E CA 0.577 56.909 56.400 -0.114 0.000 0.814 418 E CB 0.301 30.090 29.700 0.149 0.000 0.752 418 E HN 0.590 nan 8.360 nan 0.000 0.466 419 L N 0.931 122.014 121.223 -0.233 0.000 2.017 419 L HA -0.191 4.149 4.340 0.000 0.000 0.208 419 L C 2.436 179.159 176.870 -0.245 0.000 1.073 419 L CA 0.890 55.604 54.840 -0.210 0.000 0.745 419 L CB -0.091 41.828 42.059 -0.234 0.000 0.894 419 L HN 0.149 nan 8.230 nan 0.000 0.432 420 L N -0.740 120.297 121.223 -0.311 0.000 2.109 420 L HA -0.153 4.187 4.340 0.000 0.000 0.207 420 L C 2.327 178.969 176.870 -0.381 0.000 1.086 420 L CA 1.664 56.330 54.840 -0.290 0.000 0.760 420 L CB -0.414 41.461 42.059 -0.306 0.000 0.910 420 L HN 0.215 nan 8.230 nan 0.000 0.437 421 M N -0.948 118.262 119.600 -0.651 0.000 2.175 421 M HA -0.151 4.329 4.480 0.000 0.000 0.264 421 M C 2.282 178.051 176.300 -0.886 0.000 1.063 421 M CA 1.429 56.139 55.300 -0.984 0.000 1.119 421 M CB -1.116 30.334 32.600 -1.916 0.000 1.377 421 M HN 0.398 nan 8.290 nan 0.000 0.415 422 Q N 0.506 119.858 119.800 -0.748 0.000 2.020 422 Q HA -0.154 4.186 4.340 0.000 0.000 0.202 422 Q C 1.905 177.821 176.000 -0.140 0.000 0.982 422 Q CA 1.811 57.423 55.803 -0.317 0.000 0.838 422 Q CB -0.745 27.954 28.738 -0.066 0.000 0.899 422 Q HN 0.391 nan 8.270 nan 0.000 0.423 423 F N 0.810 120.607 119.950 -0.254 0.000 2.192 423 F HA -0.222 4.305 4.527 -0.000 0.000 0.301 423 F C 2.208 177.876 175.800 -0.220 0.000 1.079 423 F CA 1.988 59.859 58.000 -0.214 0.000 1.303 423 F CB -0.349 38.501 39.000 -0.250 0.000 1.024 423 F HN 0.257 nan 8.300 nan 0.000 0.494 424 Q N 0.499 120.165 119.800 -0.223 0.000 2.119 424 Q HA -0.089 4.251 4.340 0.000 0.000 0.201 424 Q C 2.200 178.058 176.000 -0.236 0.000 0.972 424 Q CA 1.892 57.543 55.803 -0.253 0.000 0.847 424 Q CB -0.572 28.074 28.738 -0.153 0.000 0.903 424 Q HN 0.420 nan 8.270 nan 0.000 0.433 425 A N 0.469 123.181 122.820 -0.180 0.000 1.898 425 A HA -0.190 4.130 4.320 0.000 0.000 0.216 425 A C 1.787 179.291 177.584 -0.134 0.000 1.181 425 A CA 1.705 53.689 52.037 -0.089 0.000 0.620 425 A CB -0.774 18.243 19.000 0.029 0.000 0.819 425 A HN 0.465 nan 8.150 nan 0.000 0.442 426 D N -0.299 119.990 120.400 -0.186 0.000 2.104 426 D HA -0.155 4.485 4.640 0.000 0.000 0.194 426 D C 2.093 178.211 176.300 -0.303 0.000 0.994 426 D CA 1.343 55.217 54.000 -0.210 0.000 0.830 426 D CB -0.304 40.368 40.800 -0.212 0.000 0.959 426 D HN 0.384 nan 8.370 nan 0.000 0.452 427 Q N -0.176 119.326 119.800 -0.497 0.000 2.172 427 Q HA 0.027 4.367 4.340 0.000 0.000 0.200 427 Q C 2.495 178.308 176.000 -0.313 0.000 0.964 427 Q CA 0.448 55.972 55.803 -0.465 0.000 0.855 427 Q CB -0.008 28.350 28.738 -0.633 0.000 0.918 427 Q HN 0.389 nan 8.270 nan 0.000 0.444 428 L N -1.148 119.932 121.223 -0.239 0.000 2.375 428 L HA 0.104 4.445 4.340 0.000 0.000 0.215 428 L C 1.287 178.089 176.870 -0.113 0.000 1.108 428 L CA 0.568 55.310 54.840 -0.163 0.000 0.830 428 L CB -0.198 41.793 42.059 -0.114 0.000 0.959 428 L HN 0.321 nan 8.230 nan 0.000 0.457 429 G N 0.972 109.709 108.800 -0.104 0.000 2.153 429 G HA2 -0.248 3.712 3.960 0.000 0.000 0.252 429 G HA3 -0.248 3.712 3.960 0.000 0.000 0.252 429 G C 0.184 175.061 174.900 -0.038 0.000 0.994 429 G CA 0.423 45.484 45.100 -0.064 0.000 0.698 429 G HN 0.324 nan 8.290 nan 0.000 0.521 430 V N -4.258 115.636 119.914 -0.033 0.000 3.158 430 V HA 0.845 4.965 4.120 0.000 0.000 0.311 430 V C -0.143 175.960 176.094 0.015 0.000 1.181 430 V CA -1.504 60.790 62.300 -0.010 0.000 1.054 430 V CB 1.790 33.606 31.823 -0.012 0.000 1.085 430 V HN -0.022 nan 8.190 nan 0.000 0.446 431 D N 0.950 121.369 120.400 0.032 0.000 2.389 431 D HA 0.494 5.134 4.640 0.000 0.000 0.247 431 D C -0.432 175.928 176.300 0.100 0.000 1.128 431 D CA 0.374 54.417 54.000 0.071 0.000 0.884 431 D CB 1.492 42.325 40.800 0.054 0.000 1.194 431 D HN 0.550 nan 8.370 nan 0.000 0.441 432 V N 3.262 123.287 119.914 0.184 0.000 2.384 432 V HA 0.391 4.511 4.120 0.000 0.000 0.287 432 V C -0.251 176.069 176.094 0.378 0.000 1.020 432 V CA -0.722 61.718 62.300 0.233 0.000 0.850 432 V CB 1.763 33.690 31.823 0.173 0.000 0.987 432 V HN 0.353 nan 8.190 nan 0.000 0.436 433 V N 6.817 126.905 119.914 0.290 0.000 2.604 433 V HA 0.805 4.925 4.120 0.000 0.000 0.305 433 V C -0.426 175.861 176.094 0.321 0.000 1.043 433 V CA -0.786 61.687 62.300 0.288 0.000 0.888 433 V CB 1.924 33.879 31.823 0.221 0.000 0.995 433 V HN 1.007 nan 8.190 nan 0.000 0.429 434 R N 6.367 127.040 120.500 0.288 0.000 2.445 434 R HA 0.744 5.084 4.340 0.000 0.000 0.308 434 R C -2.873 173.477 176.300 0.084 0.000 0.961 434 R CA -1.922 54.315 56.100 0.229 0.000 0.862 434 R CB 2.023 32.479 30.300 0.261 0.000 1.144 434 R HN 0.545 nan 8.270 nan 0.000 0.447 435 P HA -0.001 nan 4.420 nan 0.000 0.272 435 P C -0.507 176.655 177.300 -0.230 0.000 1.240 435 P CA -0.409 62.524 63.100 -0.279 0.000 0.791 435 P CB 1.144 32.749 31.700 -0.158 0.000 0.978 436 K N 0.821 121.015 120.400 -0.342 0.000 2.103 436 K HA 0.019 4.339 4.320 0.000 0.000 0.204 436 K C 0.119 176.649 176.600 -0.117 0.000 1.052 436 K CA 0.881 57.053 56.287 -0.191 0.000 0.945 436 K CB -0.034 32.349 32.500 -0.195 0.000 0.722 436 K HN 0.198 nan 8.250 nan 0.000 0.443 437 V N 2.059 121.886 119.914 -0.144 0.000 2.348 437 V HA 0.188 4.308 4.120 0.000 0.000 0.270 437 V C 0.853 176.950 176.094 0.005 0.000 1.037 437 V CA -0.068 62.213 62.300 -0.031 0.000 0.872 437 V CB 0.928 32.744 31.823 -0.011 0.000 1.002 437 V HN 0.360 nan 8.190 nan 0.000 0.464 438 A N 4.036 126.881 122.820 0.041 0.000 2.067 438 A HA 0.048 4.368 4.320 0.000 0.000 0.217 438 A C 1.165 178.800 177.584 0.085 0.000 1.156 438 A CA 0.472 52.545 52.037 0.061 0.000 0.683 438 A CB -0.120 18.915 19.000 0.058 0.000 0.808 438 A HN 0.772 nan 8.150 nan 0.000 0.455 439 E N 0.799 121.063 120.200 0.107 0.000 2.148 439 E HA 0.158 4.508 4.350 0.000 0.000 0.308 439 E C 1.313 177.987 176.600 0.124 0.000 1.278 439 E CA 0.503 56.981 56.400 0.130 0.000 1.368 439 E CB -0.246 29.558 29.700 0.173 0.000 1.229 439 E HN 0.615 nan 8.360 nan 0.000 0.494 440 T N -2.699 111.912 114.554 0.095 0.000 2.821 440 T HA -0.248 4.102 4.350 0.000 0.000 0.267 440 T C 1.997 176.738 174.700 0.068 0.000 1.046 440 T CA 1.618 63.766 62.100 0.079 0.000 1.139 440 T CB -0.443 68.495 68.868 0.116 0.000 0.871 440 T HN 0.423 nan 8.240 nan 0.000 0.454 441 T N 1.036 115.640 114.554 0.082 0.000 2.708 441 T HA 0.082 4.433 4.350 0.000 0.000 0.266 441 T C 2.367 177.116 174.700 0.081 0.000 1.037 441 T CA 1.182 63.329 62.100 0.078 0.000 1.146 441 T CB -1.040 67.868 68.868 0.066 0.000 0.865 441 T HN 0.520 nan 8.240 nan 0.000 0.435 442 A N 1.620 124.511 122.820 0.117 0.000 1.902 442 A HA 0.112 4.432 4.320 0.000 0.000 0.217 442 A C 2.373 180.018 177.584 0.102 0.000 1.181 442 A CA 1.653 53.800 52.037 0.183 0.000 0.623 442 A CB -0.993 18.184 19.000 0.295 0.000 0.818 442 A HN 0.478 nan 8.150 nan 0.000 0.443 443 L N 0.237 121.396 121.223 -0.107 0.000 2.046 443 L HA -0.032 4.308 4.340 0.000 0.000 0.208 443 L C 2.391 178.906 176.870 -0.591 0.000 1.077 443 L CA 2.367 56.770 54.840 -0.727 0.000 0.747 443 L CB -1.185 40.452 42.059 -0.704 0.000 0.896 443 L HN 0.304 nan 8.230 nan 0.000 0.432 444 G N -0.936 107.752 108.800 -0.187 0.000 2.446 444 G HA2 -0.311 3.649 3.960 0.000 0.000 0.217 444 G HA3 -0.311 3.649 3.960 0.000 0.000 0.217 444 G C 1.612 176.584 174.900 0.120 0.000 1.168 444 G CA 0.969 46.135 45.100 0.110 0.000 0.771 444 G HN 0.660 nan 8.290 nan 0.000 0.551 445 A N 1.019 123.872 122.820 0.056 0.000 1.933 445 A HA 0.258 4.578 4.320 0.000 0.000 0.218 445 A C 2.802 180.446 177.584 0.100 0.000 1.175 445 A CA 2.262 54.343 52.037 0.073 0.000 0.628 445 A CB -0.698 18.356 19.000 0.090 0.000 0.814 445 A HN 0.801 nan 8.150 nan 0.000 0.444 446 A N -1.182 121.668 122.820 0.049 0.000 1.873 446 A HA -0.103 4.217 4.320 0.000 0.000 0.215 446 A C 2.115 179.886 177.584 0.312 0.000 1.186 446 A CA 1.402 53.523 52.037 0.140 0.000 0.616 446 A CB -0.925 18.064 19.000 -0.018 0.000 0.823 446 A HN 0.654 nan 8.150 nan 0.000 0.442 447 Y N -0.254 120.090 120.300 0.074 0.000 2.128 447 Y HA -0.263 4.287 4.550 0.000 0.000 0.284 447 Y C 3.026 179.072 175.900 0.243 0.000 1.154 447 Y CA 0.559 58.666 58.100 0.012 0.000 1.149 447 Y CB -0.235 38.248 38.460 0.037 0.000 0.976 447 Y HN 0.411 nan 8.280 nan 0.000 0.505 448 A N 0.234 123.245 122.820 0.317 0.000 1.877 448 A HA -0.194 4.126 4.320 0.000 0.000 0.216 448 A C 2.387 180.046 177.584 0.125 0.000 1.186 448 A CA 1.803 53.870 52.037 0.052 0.000 0.620 448 A CB -1.166 17.722 19.000 -0.187 0.000 0.822 448 A HN 0.439 nan 8.150 nan 0.000 0.443 449 A N -0.578 122.341 122.820 0.165 0.000 1.898 449 A HA 0.154 4.474 4.320 0.000 0.000 0.216 449 A C 2.422 180.124 177.584 0.197 0.000 1.181 449 A CA 1.880 54.000 52.037 0.140 0.000 0.620 449 A CB -1.398 17.678 19.000 0.128 0.000 0.819 449 A HN 0.747 nan 8.150 nan 0.000 0.442 450 G N -0.003 109.025 108.800 0.380 0.000 2.418 450 G HA2 -0.199 3.761 3.960 0.000 0.000 0.217 450 G HA3 -0.199 3.761 3.960 0.000 0.000 0.217 450 G C 1.509 176.697 174.900 0.480 0.000 1.158 450 G CA 1.145 46.547 45.100 0.503 0.000 0.771 450 G HN 0.478 nan 8.290 nan 0.000 0.545 451 I N 1.226 122.067 120.570 0.453 0.000 2.315 451 I HA -0.119 4.051 4.170 0.000 0.000 0.248 451 I C 3.199 179.410 176.117 0.157 0.000 1.117 451 I CA 0.813 62.285 61.300 0.288 0.000 1.404 451 I CB -0.083 38.036 38.000 0.198 0.000 1.071 451 I HN 0.245 nan 8.210 nan 0.000 0.419 452 A N 0.395 123.281 122.820 0.110 0.000 2.015 452 A HA -0.117 4.203 4.320 0.000 0.000 0.219 452 A C 2.128 179.733 177.584 0.035 0.000 1.163 452 A CA 1.789 53.843 52.037 0.028 0.000 0.646 452 A CB -0.627 18.344 19.000 -0.049 0.000 0.806 452 A HN 0.381 nan 8.150 nan 0.000 0.448 453 V N -4.566 115.393 119.914 0.075 0.000 3.621 453 V HA 0.555 4.676 4.120 0.000 0.000 0.285 453 V C 1.357 177.510 176.094 0.099 0.000 1.346 453 V CA 0.688 63.031 62.300 0.071 0.000 1.104 453 V CB -0.626 31.237 31.823 0.066 0.000 0.913 453 V HN 1.364 nan 8.190 nan 0.000 0.432 454 G N 0.276 109.153 108.800 0.129 0.000 2.176 454 G HA2 -0.389 3.571 3.960 0.000 0.000 0.253 454 G HA3 -0.389 3.571 3.960 0.000 0.000 0.253 454 G C 0.536 175.516 174.900 0.135 0.000 0.979 454 G CA 0.482 45.653 45.100 0.119 0.000 0.641 454 G HN 0.593 nan 8.290 nan 0.000 0.530 455 F N 0.258 120.188 119.950 -0.034 0.000 2.192 455 F HA 0.149 4.676 4.527 0.000 0.000 0.301 455 F C 1.141 176.781 175.800 -0.266 0.000 1.079 455 F CA 1.529 59.404 58.000 -0.208 0.000 1.303 455 F CB 0.125 38.904 39.000 -0.370 0.000 1.024 455 F HN 0.252 nan 8.300 nan 0.000 0.494 456 W N 0.285 121.706 121.300 0.202 0.000 2.761 456 W HA 0.271 4.932 4.660 0.000 0.000 0.340 456 W C 0.902 177.447 176.519 0.042 0.000 1.072 456 W CA -0.955 56.425 57.345 0.058 0.000 1.215 456 W CB 1.369 30.841 29.460 0.020 0.000 1.420 456 W HN -0.311 nan 8.180 nan 0.000 0.519 457 K N 0.966 121.508 120.400 0.237 0.000 2.217 457 K HA 0.154 4.474 4.320 0.000 0.000 0.202 457 K C 1.068 177.716 176.600 0.080 0.000 1.051 457 K CA 1.208 57.567 56.287 0.121 0.000 0.952 457 K CB 0.286 32.831 32.500 0.077 0.000 0.736 457 K HN 0.569 nan 8.250 nan 0.000 0.453 458 G N -0.717 108.117 108.800 0.057 0.000 2.335 458 G HA2 -0.018 3.942 3.960 0.000 0.000 0.291 458 G HA3 -0.018 3.942 3.960 0.000 0.000 0.291 458 G C -0.621 174.183 174.900 -0.159 0.000 1.261 458 G CA -0.647 44.432 45.100 -0.036 0.000 0.871 458 G HN -0.025 nan 8.290 nan 0.000 0.491 459 E N -0.754 119.279 120.200 -0.279 0.000 2.107 459 E HA -0.121 4.229 4.350 0.000 0.000 0.191 459 E C 2.334 178.778 176.600 -0.260 0.000 0.982 459 E CA 1.400 57.489 56.400 -0.520 0.000 0.809 459 E CB 0.083 29.315 29.700 -0.780 0.000 0.756 459 E HN 0.366 nan 8.360 nan 0.000 0.459 460 Q N 1.291 121.004 119.800 -0.145 0.000 2.084 460 Q HA -0.203 4.137 4.340 0.000 0.000 0.202 460 Q C 1.562 177.521 176.000 -0.069 0.000 0.978 460 Q CA 1.785 57.545 55.803 -0.073 0.000 0.844 460 Q CB -0.276 28.436 28.738 -0.043 0.000 0.898 460 Q HN 0.121 nan 8.270 nan 0.000 0.426 461 D N -1.257 119.106 120.400 -0.062 0.000 2.149 461 D HA -0.124 4.516 4.640 0.000 0.000 0.198 461 D C 1.692 177.921 176.300 -0.117 0.000 0.990 461 D CA 1.114 55.103 54.000 -0.017 0.000 0.839 461 D CB -0.010 40.836 40.800 0.076 0.000 0.948 461 D HN 0.189 nan 8.370 nan 0.000 0.460 462 V N 0.539 120.268 119.914 -0.308 0.000 2.295 462 V HA -0.214 3.906 4.120 0.000 0.000 0.246 462 V C 2.578 178.471 176.094 -0.335 0.000 1.049 462 V CA 1.265 63.193 62.300 -0.620 0.000 1.024 462 V CB -0.362 30.896 31.823 -0.942 0.000 0.648 462 V HN 0.289 nan 8.190 nan 0.000 0.447 463 I N 0.274 120.738 120.570 -0.176 0.000 2.194 463 I HA -0.280 3.890 4.170 0.000 0.000 0.246 463 I C 2.157 178.268 176.117 -0.010 0.000 1.093 463 I CA 1.740 62.981 61.300 -0.098 0.000 1.355 463 I CB -0.580 37.368 38.000 -0.086 0.000 1.046 463 I HN 0.336 nan 8.210 nan 0.000 0.413 464 D N 0.611 121.001 120.400 -0.017 0.000 2.309 464 D HA -0.124 4.516 4.640 0.000 0.000 0.212 464 D C 1.421 177.754 176.300 0.055 0.000 0.968 464 D CA 0.990 55.005 54.000 0.026 0.000 0.882 464 D CB -0.322 40.497 40.800 0.032 0.000 0.918 464 D HN 0.448 nan 8.370 nan 0.000 0.503 465 N N -0.756 117.966 118.700 0.036 0.000 2.184 465 N HA -0.023 4.717 4.740 0.000 0.000 0.206 465 N C -0.190 175.382 175.510 0.103 0.000 1.151 465 N CA -0.329 52.766 53.050 0.074 0.000 0.878 465 N CB 0.717 39.254 38.487 0.084 0.000 1.014 465 N HN 0.152 nan 8.380 nan 0.000 0.512 466 W N 2.516 123.761 121.300 -0.092 0.000 2.253 466 W HA 0.360 5.020 4.660 0.000 0.000 0.322 466 W C -0.094 176.409 176.519 -0.027 0.000 1.342 466 W CA -0.554 56.750 57.345 -0.069 0.000 1.218 466 W CB 0.467 29.842 29.460 -0.141 0.000 1.205 466 W HN -0.071 nan 8.180 nan 0.000 0.551 467 A N 5.468 127.966 122.820 -0.537 0.000 2.260 467 A HA 0.359 4.679 4.320 0.000 0.000 0.308 467 A C -0.653 176.443 177.584 -0.814 0.000 1.254 467 A CA -0.607 51.145 52.037 -0.476 0.000 0.874 467 A CB 0.577 19.401 19.000 -0.294 0.000 1.153 467 A HN 0.667 nan 8.150 nan 0.000 0.527 468 E N 1.969 121.899 120.200 -0.451 0.000 2.175 468 E HA 0.252 4.602 4.350 0.000 0.000 0.278 468 E C -0.302 176.166 176.600 -0.220 0.000 0.969 468 E CA -0.517 55.663 56.400 -0.366 0.000 0.796 468 E CB 1.272 30.951 29.700 -0.034 0.000 1.104 468 E HN 0.703 nan 8.360 nan 0.000 0.395 469 D N 3.846 124.126 120.400 -0.199 0.000 2.255 469 D HA 0.066 4.706 4.640 0.000 0.000 0.224 469 D C -0.273 175.928 176.300 -0.166 0.000 0.997 469 D CA 1.001 54.913 54.000 -0.147 0.000 0.906 469 D CB 0.421 41.156 40.800 -0.109 0.000 1.047 469 D HN 0.323 nan 8.370 nan 0.000 0.458 470 K N -1.059 119.214 120.400 -0.211 0.000 2.536 470 K HA 0.425 4.746 4.320 0.000 0.000 0.269 470 K C -1.467 174.849 176.600 -0.474 0.000 0.965 470 K CA -0.944 55.097 56.287 -0.411 0.000 0.860 470 K CB 2.119 34.255 32.500 -0.606 0.000 1.423 470 K HN 0.035 nan 8.250 nan 0.000 0.438 471 R N 2.611 122.760 120.500 -0.585 0.000 2.651 471 R HA 0.402 4.743 4.340 0.000 0.000 0.278 471 R C -1.616 174.425 176.300 -0.433 0.000 1.010 471 R CA -0.655 55.244 56.100 -0.336 0.000 0.896 471 R CB 1.144 31.384 30.300 -0.099 0.000 1.211 471 R HN 0.530 nan 8.270 nan 0.000 0.456 472 W N 2.296 123.594 121.300 -0.003 0.000 2.587 472 W HA 0.413 5.073 4.660 0.000 0.000 0.324 472 W C -0.734 175.777 176.519 -0.014 0.000 1.040 472 W CA -0.933 56.405 57.345 -0.012 0.000 1.222 472 W CB 2.544 31.991 29.460 -0.022 0.000 1.381 472 W HN 0.495 nan 8.180 nan 0.000 0.483 473 S N 3.120 118.930 115.700 0.183 0.000 2.525 473 S HA 0.467 4.937 4.470 0.000 0.000 0.290 473 S C -2.407 172.246 174.600 0.089 0.000 1.152 473 S CA -1.325 56.936 58.200 0.101 0.000 1.072 473 S CB 1.545 64.777 63.200 0.052 0.000 1.027 473 S HN 0.108 nan 8.310 nan 0.000 0.500 474 P HA 0.106 nan 4.420 nan 0.000 0.264 474 P C 0.176 177.491 177.300 0.026 0.000 1.193 474 P CA 0.080 63.190 63.100 0.016 0.000 0.763 474 P CB 0.501 32.196 31.700 -0.008 0.000 0.810 475 S N 1.499 117.215 115.700 0.028 0.000 2.893 475 S HA 0.226 4.696 4.470 0.000 0.000 0.258 475 S C 0.282 174.903 174.600 0.035 0.000 1.034 475 S CA -0.367 57.856 58.200 0.037 0.000 1.167 475 S CB -0.222 63.011 63.200 0.056 0.000 1.137 475 S HN 0.377 nan 8.310 nan 0.000 0.650 476 M N 2.334 121.949 119.600 0.024 0.000 2.264 476 M HA 0.497 4.977 4.480 0.000 0.000 0.352 476 M C -0.457 175.861 176.300 0.030 0.000 1.173 476 M CA -0.321 55.001 55.300 0.037 0.000 1.075 476 M CB 1.404 34.029 32.600 0.041 0.000 1.621 476 M HN 0.088 nan 8.290 nan 0.000 0.457 477 E N 1.801 122.026 120.200 0.042 0.000 2.442 477 E HA 0.009 4.359 4.350 0.000 0.000 0.262 477 E C 0.626 177.250 176.600 0.040 0.000 1.004 477 E CA 0.515 56.938 56.400 0.039 0.000 0.928 477 E CB 0.850 30.577 29.700 0.045 0.000 0.937 477 E HN 0.737 nan 8.360 nan 0.000 0.446 478 S N 2.214 117.934 115.700 0.033 0.000 2.402 478 S HA -0.197 4.273 4.470 0.000 0.000 0.233 478 S C 1.668 176.298 174.600 0.050 0.000 1.030 478 S CA 1.257 59.477 58.200 0.034 0.000 1.003 478 S CB -0.224 62.992 63.200 0.027 0.000 0.813 478 S HN 0.743 nan 8.310 nan 0.000 0.477 479 G N 1.000 109.832 108.800 0.053 0.000 2.394 479 G HA2 -0.195 3.765 3.960 0.000 0.000 0.214 479 G HA3 -0.195 3.765 3.960 0.000 0.000 0.214 479 G C 1.292 176.244 174.900 0.087 0.000 1.176 479 G CA 1.039 46.177 45.100 0.063 0.000 0.786 479 G HN 0.533 nan 8.290 nan 0.000 0.533 480 E N 0.675 120.930 120.200 0.093 0.000 2.072 480 E HA -0.104 4.246 4.350 0.000 0.000 0.191 480 E C 2.375 179.072 176.600 0.162 0.000 0.985 480 E CA 1.174 57.651 56.400 0.127 0.000 0.801 480 E CB -0.321 29.453 29.700 0.122 0.000 0.750 480 E HN 0.428 nan 8.360 nan 0.000 0.452 481 R N 0.183 120.756 120.500 0.121 0.000 2.094 481 R HA -0.182 4.158 4.340 0.000 0.000 0.239 481 R C 1.848 178.244 176.300 0.160 0.000 1.137 481 R CA 1.879 58.042 56.100 0.106 0.000 0.943 481 R CB -0.204 30.112 30.300 0.026 0.000 0.850 481 R HN 0.156 nan 8.270 nan 0.000 0.433 482 E N 0.160 120.443 120.200 0.138 0.000 2.112 482 E HA -0.134 4.216 4.350 0.000 0.000 0.190 482 E C 2.036 178.741 176.600 0.175 0.000 0.979 482 E CA 0.584 57.085 56.400 0.168 0.000 0.814 482 E CB -0.237 29.532 29.700 0.116 0.000 0.762 482 E HN 0.364 nan 8.360 nan 0.000 0.460 483 R N 0.670 121.261 120.500 0.153 0.000 2.073 483 R HA -0.078 4.262 4.340 0.000 0.000 0.234 483 R C 2.575 178.987 176.300 0.188 0.000 1.134 483 R CA 0.945 57.128 56.100 0.138 0.000 0.952 483 R CB -0.294 30.086 30.300 0.132 0.000 0.850 483 R HN 0.119 nan 8.270 nan 0.000 0.433 484 L N -0.566 120.836 121.223 0.299 0.000 2.012 484 L HA -0.262 4.078 4.340 0.000 0.000 0.210 484 L C 2.483 179.518 176.870 0.275 0.000 1.073 484 L CA 1.542 56.659 54.840 0.462 0.000 0.748 484 L CB -0.699 41.764 42.059 0.674 0.000 0.891 484 L HN 0.273 nan 8.230 nan 0.000 0.431 485 Y N 1.347 121.692 120.300 0.076 0.000 2.181 485 Y HA -0.250 4.300 4.550 0.001 0.000 0.288 485 Y C 2.845 178.709 175.900 -0.060 0.000 1.146 485 Y CA 1.811 59.839 58.100 -0.121 0.000 1.164 485 Y CB -0.293 38.194 38.460 0.046 0.000 0.982 485 Y HN 0.158 nan 8.280 nan 0.000 0.515 486 R N -0.542 119.922 120.500 -0.060 0.000 2.148 486 R HA -0.090 4.250 4.340 0.000 0.000 0.223 486 R C 1.664 177.831 176.300 -0.222 0.000 1.088 486 R CA 1.401 57.390 56.100 -0.185 0.000 0.985 486 R CB -0.593 29.655 30.300 -0.086 0.000 0.880 486 R HN 0.185 nan 8.270 nan 0.000 0.451 487 N N 0.731 119.305 118.700 -0.209 0.000 2.142 487 N HA -0.182 4.558 4.740 0.000 0.000 0.186 487 N C 1.189 176.360 175.510 -0.565 0.000 1.023 487 N CA 1.423 54.237 53.050 -0.392 0.000 0.852 487 N CB -0.423 37.784 38.487 -0.467 0.000 0.998 487 N HN 0.402 nan 8.380 nan 0.000 0.424 488 W N 2.235 123.118 121.300 -0.695 0.000 2.381 488 W HA -0.026 4.634 4.660 0.001 0.000 0.301 488 W C 1.948 178.216 176.519 -0.417 0.000 1.205 488 W CA 1.209 58.218 57.345 -0.561 0.000 1.285 488 W CB -0.076 28.967 29.460 -0.695 0.000 1.133 488 W HN -0.065 nan 8.180 nan 0.000 0.521 489 K N 0.244 120.421 120.400 -0.371 0.000 2.147 489 K HA -0.186 4.135 4.320 0.000 0.000 0.205 489 K C 1.904 178.225 176.600 -0.466 0.000 1.049 489 K CA 1.770 57.749 56.287 -0.513 0.000 0.936 489 K CB -0.243 31.991 32.500 -0.443 0.000 0.722 489 K HN 0.180 nan 8.250 nan 0.000 0.446 490 K N 0.339 120.510 120.400 -0.381 0.000 2.148 490 K HA -0.069 4.251 4.320 0.000 0.000 0.204 490 K C 2.130 178.537 176.600 -0.322 0.000 1.050 490 K CA 1.054 57.158 56.287 -0.305 0.000 0.942 490 K CB -0.040 32.309 32.500 -0.251 0.000 0.724 490 K HN 0.106 nan 8.250 nan 0.000 0.446 491 A N 0.957 123.530 122.820 -0.411 0.000 1.898 491 A HA -0.099 4.222 4.320 0.000 0.000 0.216 491 A C 2.348 179.709 177.584 -0.371 0.000 1.181 491 A CA 1.195 53.018 52.037 -0.357 0.000 0.620 491 A CB -0.590 18.200 19.000 -0.351 0.000 0.819 491 A HN 0.055 nan 8.150 nan 0.000 0.442 492 V N -0.266 119.303 119.914 -0.574 0.000 2.343 492 V HA -0.223 3.897 4.120 0.000 0.000 0.247 492 V C 2.756 178.667 176.094 -0.305 0.000 1.051 492 V CA 2.481 64.472 62.300 -0.515 0.000 1.036 492 V CB -1.112 30.245 31.823 -0.777 0.000 0.654 492 V HN 0.608 nan 8.190 nan 0.000 0.451 493 T N -0.579 113.795 114.554 -0.300 0.000 2.674 493 T HA -0.165 4.185 4.350 0.000 0.000 0.265 493 T C 2.060 176.702 174.700 -0.097 0.000 1.039 493 T CA 1.181 63.156 62.100 -0.208 0.000 1.150 493 T CB -0.207 68.523 68.868 -0.230 0.000 0.864 493 T HN 0.257 nan 8.240 nan 0.000 0.427 494 K N 0.951 121.288 120.400 -0.106 0.000 2.097 494 K HA -0.014 4.306 4.320 0.000 0.000 0.206 494 K C 2.506 179.125 176.600 0.032 0.000 1.049 494 K CA 1.199 57.465 56.287 -0.035 0.000 0.933 494 K CB -1.014 31.444 32.500 -0.069 0.000 0.717 494 K HN 0.334 nan 8.250 nan 0.000 0.442 495 T N 1.699 116.246 114.554 -0.012 0.000 2.746 495 T HA -0.104 4.246 4.350 0.000 0.000 0.267 495 T C 1.852 176.634 174.700 0.136 0.000 1.039 495 T CA 1.132 63.269 62.100 0.061 0.000 1.142 495 T CB -0.033 68.821 68.868 -0.022 0.000 0.866 495 T HN 0.043 nan 8.240 nan 0.000 0.444 496 M N 1.190 120.836 119.600 0.076 0.000 2.213 496 M HA -0.014 4.466 4.480 0.000 0.000 0.263 496 M C 2.110 178.491 176.300 0.136 0.000 1.062 496 M CA 1.304 56.674 55.300 0.116 0.000 1.105 496 M CB -1.049 31.667 32.600 0.193 0.000 1.385 496 M HN 0.386 nan 8.290 nan 0.000 0.417 497 E N -1.516 118.785 120.200 0.168 0.000 2.107 497 E HA -0.228 4.122 4.350 0.000 0.000 0.191 497 E C 1.817 178.472 176.600 0.092 0.000 0.982 497 E CA 1.049 57.532 56.400 0.138 0.000 0.809 497 E CB -0.224 29.558 29.700 0.137 0.000 0.756 497 E HN 0.615 nan 8.360 nan 0.000 0.459 498 W N 0.980 122.269 121.300 -0.019 0.000 2.381 498 W HA -0.164 4.495 4.660 -0.002 0.000 0.301 498 W C 1.929 178.424 176.519 -0.040 0.000 1.205 498 W CA 0.912 58.239 57.345 -0.030 0.000 1.285 498 W CB -0.335 29.104 29.460 -0.034 0.000 1.133 498 W HN -0.213 nan 8.180 nan 0.000 0.521 499 V N 1.259 121.118 119.914 -0.091 0.000 2.469 499 V HA -0.306 3.814 4.120 0.000 0.000 0.251 499 V C 1.884 177.761 176.094 -0.362 0.000 1.064 499 V CA 2.412 64.527 62.300 -0.309 0.000 1.066 499 V CB -0.829 30.964 31.823 -0.050 0.000 0.667 499 V HN 0.072 nan 8.190 nan 0.000 0.461 500 D N 0.228 120.474 120.400 -0.256 0.000 2.219 500 D HA -0.126 4.515 4.640 0.000 0.000 0.205 500 D C 1.894 178.035 176.300 -0.264 0.000 0.970 500 D CA 1.253 55.105 54.000 -0.246 0.000 0.851 500 D CB -0.041 40.620 40.800 -0.232 0.000 0.943 500 D HN 0.798 nan 8.370 nan 0.000 0.488 501 E N 0.040 120.038 120.200 -0.337 0.000 2.501 501 E HA 0.042 4.392 4.350 0.000 0.000 0.200 501 E C -0.254 176.076 176.600 -0.449 0.000 1.016 501 E CA -0.349 55.865 56.400 -0.311 0.000 0.921 501 E CB 0.167 29.744 29.700 -0.205 0.000 1.034 501 E HN -0.114 nan 8.360 nan 0.000 0.468 502 D N 1.642 121.646 120.400 -0.659 0.000 2.393 502 D HA 0.069 4.709 4.640 0.000 0.000 0.232 502 D C -0.722 175.348 176.300 -0.383 0.000 1.192 502 D CA -0.516 53.030 54.000 -0.757 0.000 0.882 502 D CB 1.158 41.178 40.800 -1.299 0.000 1.038 502 D HN -0.107 nan 8.370 nan 0.000 0.499 503 V N 5.243 125.013 119.914 -0.240 0.000 2.356 503 V HA 0.227 4.347 4.120 0.000 0.000 0.258 503 V C 0.567 176.601 176.094 -0.100 0.000 1.065 503 V CA -0.344 61.870 62.300 -0.143 0.000 0.935 503 V CB 0.519 32.282 31.823 -0.099 0.000 1.061 503 V HN 0.471 nan 8.190 nan 0.000 0.484 504 E N 0.000 120.145 120.200 -0.092 0.000 2.725 504 E HA 0.000 4.350 4.350 0.000 0.000 0.291 504 E CA 0.000 56.370 56.400 -0.051 0.000 0.976 504 E CB 0.000 29.671 29.700 -0.048 0.000 0.812 504 E HN 0.000 nan 8.360 nan 0.000 0.440