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 3dh9_1_A DATA FIRST_RESID 5 DATA SEQUENCE QGSYDYDLIV IGGGSAGLAC AKEAVLNGAR VACLDFVKPT PTLGTKWGVG DATA SEQUENCE GTcVNVGcIP KKLMHQASLL GEAVHEAAAY GWNVDDKIKP DWHKLVQSVQ DATA SEQUENCE NHIKSVNWVT RVDLRDKKVE YINGLGSFVD SHTLLAKLKS GERTITAQTF DATA SEQUENCE VIAVGGRPRY PDIPGAVEYG ITSDDLFSLD REPGKTLVVG AGYIGLECAG DATA SEQUENCE FLKGLGYEPT VMVRSIVLRG FDQQMAELVA ASMEERGIPF LRKTVPLSVE DATA SEQUENCE KQDDGKLLVK YKNVETGEES EDVYDTVLWA IGRKGLVDDL NLPNAGVTVQ DATA SEQUENCE KDKIPVDSQE ATNVANIYAV GDIIYGKPEL TPVAVLAGRL LARRLYGGST DATA SEQUENCE QRMDYKDVAT TVFTPLEYAC VGLSEEDAVK QFGADEIEVF HGYYKPTEFF DATA SEQUENCE IPQKSVRYCY LKAVAERHGD QRVYGLHYIG PVAGEVIQGF AAALKSGLTI DATA SEQUENCE NTLINTVGIH PTTAEEFTRL AITKRSGLDP TP 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 5 Q HA 0.000 nan 4.340 nan 0.000 0.214 5 Q C 0.000 176.003 176.000 0.004 0.000 1.003 5 Q CA 0.000 55.828 55.803 0.042 0.000 1.022 5 Q CB 0.000 28.757 28.738 0.031 0.000 1.108 6 G N 1.347 110.097 108.800 -0.083 0.000 4.366 6 G HA2 0.039 3.999 3.960 0.000 0.000 0.194 6 G HA3 0.039 3.999 3.960 0.000 0.000 0.194 6 G C -0.244 174.422 174.900 -0.390 0.000 1.275 6 G CA 0.334 45.298 45.100 -0.228 0.000 0.847 6 G HN 1.399 nan 8.290 nan 0.000 0.299 7 S N -0.486 114.921 115.700 -0.489 0.000 3.225 7 S HA -0.018 4.452 4.470 0.000 0.000 0.812 7 S C -0.725 173.560 174.600 -0.524 0.000 0.610 7 S CA 0.243 58.221 58.200 -0.369 0.000 1.518 7 S CB -1.561 61.524 63.200 -0.191 0.000 1.023 7 S HN 1.167 nan 8.310 nan 0.000 0.891 8 Y N 2.502 122.814 120.300 0.020 0.000 2.630 8 Y HA 0.491 5.041 4.550 0.000 0.000 0.337 8 Y C 1.458 177.334 175.900 -0.041 0.000 1.051 8 Y CA -0.946 57.173 58.100 0.031 0.000 1.121 8 Y CB 0.477 38.999 38.460 0.103 0.000 1.299 8 Y HN 0.428 nan 8.280 nan 0.000 0.498 9 D N -0.082 120.378 120.400 0.100 0.000 2.149 9 D HA -0.160 4.480 4.640 0.000 0.000 0.198 9 D C -0.473 175.511 176.300 -0.527 0.000 0.990 9 D CA 1.999 55.864 54.000 -0.224 0.000 0.839 9 D CB -0.071 40.605 40.800 -0.206 0.000 0.948 9 D HN 0.379 nan 8.370 nan 0.000 0.460 10 Y N -0.212 120.127 120.300 0.065 0.000 2.545 10 Y HA 0.205 4.755 4.550 0.000 0.000 0.348 10 Y C 1.017 176.929 175.900 0.020 0.000 1.002 10 Y CA -1.059 57.041 58.100 -0.001 0.000 1.039 10 Y CB 1.583 39.998 38.460 -0.075 0.000 1.271 10 Y HN -0.361 nan 8.280 nan 0.000 0.467 11 D N 0.656 121.152 120.400 0.161 0.000 2.123 11 D HA -0.046 4.594 4.640 0.000 0.000 0.200 11 D C -0.292 176.087 176.300 0.132 0.000 0.976 11 D CA 1.626 55.716 54.000 0.150 0.000 0.831 11 D CB 0.430 41.260 40.800 0.051 0.000 0.974 11 D HN 0.240 nan 8.370 nan 0.000 0.469 12 L N 0.494 121.750 121.223 0.054 0.000 2.438 12 L HA 0.412 4.752 4.340 0.000 0.000 0.270 12 L C -1.516 175.243 176.870 -0.184 0.000 0.972 12 L CA -0.459 54.365 54.840 -0.026 0.000 0.831 12 L CB 2.055 44.154 42.059 0.066 0.000 1.273 12 L HN -0.224 nan 8.230 nan 0.000 0.405 13 I N 5.525 125.867 120.570 -0.380 0.000 2.406 13 I HA 0.494 4.664 4.170 0.000 0.000 0.290 13 I C -0.711 175.306 176.117 -0.167 0.000 0.999 13 I CA -0.957 60.108 61.300 -0.392 0.000 1.124 13 I CB 1.974 39.633 38.000 -0.568 0.000 1.289 13 I HN 0.272 nan 8.210 nan 0.000 0.441 14 V N 7.308 127.169 119.914 -0.088 0.000 2.427 14 V HA 0.425 4.545 4.120 0.000 0.000 0.286 14 V C 0.078 176.194 176.094 0.037 0.000 1.034 14 V CA -0.474 61.834 62.300 0.013 0.000 0.893 14 V CB 1.681 33.509 31.823 0.008 0.000 0.982 14 V HN 0.461 nan 8.190 nan 0.000 0.452 15 I N 4.323 124.946 120.570 0.089 0.000 2.359 15 I HA 0.753 4.923 4.170 0.000 0.000 0.284 15 I C 0.581 176.752 176.117 0.090 0.000 1.018 15 I CA -0.210 61.134 61.300 0.074 0.000 1.173 15 I CB 1.238 39.274 38.000 0.060 0.000 1.326 15 I HN 0.865 nan 8.210 nan 0.000 0.462 16 G N 3.474 112.329 108.800 0.091 0.000 3.226 16 G HA2 0.114 4.074 3.960 0.000 0.000 0.685 16 G HA3 0.114 4.074 3.960 0.000 0.000 0.685 16 G C -0.230 174.721 174.900 0.085 0.000 1.207 16 G CA -0.547 44.614 45.100 0.101 0.000 0.877 16 G HN 0.952 nan 8.290 nan 0.000 0.585 17 G N 0.624 109.474 108.800 0.083 0.000 4.804 17 G HA2 0.709 4.669 3.960 0.000 0.000 0.310 17 G HA3 0.709 4.669 3.960 0.000 0.000 0.310 17 G C 0.717 175.633 174.900 0.026 0.000 1.389 17 G CA 0.824 45.945 45.100 0.036 0.000 1.106 17 G HN 1.293 nan 8.290 nan 0.000 0.595 18 G N 0.146 108.977 108.800 0.051 0.000 3.019 18 G HA2 0.393 4.353 3.960 0.000 0.000 0.152 18 G HA3 0.393 4.353 3.960 0.000 0.000 0.152 18 G C 1.199 176.119 174.900 0.032 0.000 1.320 18 G CA 0.384 45.514 45.100 0.051 0.000 1.013 18 G HN 0.162 nan 8.290 nan 0.000 0.593 19 S N 0.092 115.815 115.700 0.038 0.000 2.368 19 S HA -0.042 4.428 4.470 0.000 0.000 0.224 19 S C 2.556 177.173 174.600 0.027 0.000 1.029 19 S CA 1.515 59.730 58.200 0.025 0.000 0.988 19 S CB -0.327 62.892 63.200 0.031 0.000 0.838 19 S HN 0.717 nan 8.310 nan 0.000 0.462 20 A N 1.370 124.217 122.820 0.046 0.000 1.878 20 A HA 0.293 4.613 4.320 0.000 0.000 0.213 20 A C 2.306 179.917 177.584 0.044 0.000 1.192 20 A CA 1.300 53.367 52.037 0.051 0.000 0.619 20 A CB -1.327 17.718 19.000 0.075 0.000 0.837 20 A HN 0.487 nan 8.150 nan 0.000 0.446 21 G N -0.073 108.756 108.800 0.048 0.000 2.421 21 G HA2 -0.094 3.866 3.960 0.000 0.000 0.216 21 G HA3 -0.094 3.866 3.960 0.000 0.000 0.216 21 G C 1.381 176.291 174.900 0.017 0.000 1.171 21 G CA 1.172 46.297 45.100 0.043 0.000 0.775 21 G HN 0.303 nan 8.290 nan 0.000 0.543 22 L N 1.437 122.661 121.223 0.002 0.000 2.046 22 L HA 0.103 4.443 4.340 0.000 0.000 0.208 22 L C 3.290 180.149 176.870 -0.018 0.000 1.077 22 L CA 1.568 56.395 54.840 -0.022 0.000 0.747 22 L CB -1.176 40.859 42.059 -0.041 0.000 0.896 22 L HN 0.299 nan 8.230 nan 0.000 0.432 23 A N -1.654 121.161 122.820 -0.009 0.000 1.908 23 A HA -0.300 4.020 4.320 0.000 0.000 0.218 23 A C 2.603 180.185 177.584 -0.003 0.000 1.181 23 A CA 1.915 53.947 52.037 -0.009 0.000 0.627 23 A CB -1.376 17.622 19.000 -0.003 0.000 0.818 23 A HN 0.572 nan 8.150 nan 0.000 0.445 24 C N -0.981 118.323 119.300 0.007 0.000 2.453 24 C HA 0.176 4.636 4.460 0.000 0.000 0.277 24 C C 3.185 178.179 174.990 0.008 0.000 1.262 24 C CA 1.106 60.132 59.018 0.013 0.000 1.718 24 C CB -1.313 26.441 27.740 0.024 0.000 2.031 24 C HN 0.686 nan 8.230 nan 0.000 0.480 25 A N 0.625 123.443 122.820 -0.004 0.000 1.865 25 A HA -0.203 4.117 4.320 0.000 0.000 0.217 25 A C 2.216 179.782 177.584 -0.029 0.000 1.191 25 A CA 2.050 54.075 52.037 -0.021 0.000 0.623 25 A CB -0.663 18.321 19.000 -0.027 0.000 0.826 25 A HN 0.760 nan 8.150 nan 0.000 0.444 26 K N -0.884 119.499 120.400 -0.028 0.000 2.026 26 K HA -0.191 4.129 4.320 0.000 0.000 0.208 26 K C 2.122 178.707 176.600 -0.025 0.000 1.048 26 K CA 1.616 57.884 56.287 -0.032 0.000 0.929 26 K CB -0.153 32.326 32.500 -0.035 0.000 0.713 26 K HN 0.490 nan 8.250 nan 0.000 0.439 27 E N 0.873 121.066 120.200 -0.012 0.000 2.204 27 E HA -0.143 4.207 4.350 0.000 0.000 0.195 27 E C 1.601 178.211 176.600 0.016 0.000 0.990 27 E CA 1.199 57.600 56.400 0.001 0.000 0.821 27 E CB -0.031 29.674 29.700 0.008 0.000 0.750 27 E HN 0.326 nan 8.360 nan 0.000 0.477 28 A N -0.270 122.556 122.820 0.009 0.000 1.854 28 A HA -0.080 4.240 4.320 0.000 0.000 0.214 28 A C 2.422 179.914 177.584 -0.153 0.000 1.192 28 A CA 1.331 53.357 52.037 -0.018 0.000 0.611 28 A CB -0.704 18.281 19.000 -0.025 0.000 0.832 28 A HN 0.174 nan 8.150 nan 0.000 0.442 29 V N 0.024 119.866 119.914 -0.119 0.000 2.392 29 V HA -0.251 3.869 4.120 0.000 0.000 0.249 29 V C 2.500 178.551 176.094 -0.072 0.000 1.059 29 V CA 1.947 64.184 62.300 -0.105 0.000 1.051 29 V CB -0.876 30.905 31.823 -0.069 0.000 0.658 29 V HN 0.570 nan 8.190 nan 0.000 0.455 30 L N 0.778 121.973 121.223 -0.046 0.000 2.127 30 L HA -0.131 4.209 4.340 0.000 0.000 0.211 30 L C 1.584 178.442 176.870 -0.020 0.000 1.089 30 L CA 2.032 56.856 54.840 -0.028 0.000 0.757 30 L CB -0.774 41.275 42.059 -0.017 0.000 0.899 30 L HN 0.393 nan 8.230 nan 0.000 0.434 31 N N -0.481 118.209 118.700 -0.017 0.000 2.251 31 N HA 0.325 5.065 4.740 0.000 0.000 0.217 31 N C 0.783 176.279 175.510 -0.023 0.000 1.124 31 N CA 0.634 53.692 53.050 0.014 0.000 0.843 31 N CB 0.540 39.078 38.487 0.086 0.000 1.024 31 N HN 0.389 nan 8.380 nan 0.000 0.501 32 G N -0.412 108.341 108.800 -0.078 0.000 2.143 32 G HA2 -0.265 3.695 3.960 0.000 0.000 0.249 32 G HA3 -0.265 3.695 3.960 0.000 0.000 0.249 32 G C 0.283 175.073 174.900 -0.184 0.000 0.981 32 G CA 0.078 45.123 45.100 -0.093 0.000 0.665 32 G HN 0.551 nan 8.290 nan 0.000 0.528 33 A N -0.266 122.325 122.820 -0.381 0.000 2.366 33 A HA 0.701 5.021 4.320 0.000 0.000 0.249 33 A C 0.793 178.225 177.584 -0.254 0.000 1.084 33 A CA 0.467 52.175 52.037 -0.549 0.000 0.794 33 A CB 0.339 18.577 19.000 -1.270 0.000 1.034 33 A HN 0.841 nan 8.150 nan 0.000 0.491 34 R N 1.102 121.510 120.500 -0.153 0.000 2.198 34 R HA 0.485 4.825 4.340 0.000 0.000 0.339 34 R C -1.276 175.088 176.300 0.108 0.000 1.020 34 R CA -0.149 55.950 56.100 -0.001 0.000 0.864 34 R CB 0.688 30.992 30.300 0.006 0.000 1.105 34 R HN 0.654 nan 8.270 nan 0.000 0.463 35 V N 3.636 123.607 119.914 0.096 0.000 2.709 35 V HA 0.836 4.956 4.120 0.000 0.000 0.308 35 V C -1.135 174.866 176.094 -0.155 0.000 1.062 35 V CA -0.406 61.877 62.300 -0.028 0.000 0.901 35 V CB 1.791 33.555 31.823 -0.098 0.000 1.003 35 V HN 0.931 nan 8.190 nan 0.000 0.425 36 A N 5.056 127.579 122.820 -0.495 0.000 2.330 36 A HA 0.902 5.222 4.320 0.000 0.000 0.329 36 A C -0.585 176.838 177.584 -0.268 0.000 1.135 36 A CA -0.243 51.486 52.037 -0.514 0.000 0.817 36 A CB 1.642 20.059 19.000 -0.972 0.000 1.269 36 A HN 1.805 nan 8.150 nan 0.000 0.469 37 C N 2.343 121.563 119.300 -0.134 0.000 2.516 37 C HA 0.676 5.136 4.460 0.000 0.000 0.338 37 C C -1.516 173.501 174.990 0.045 0.000 1.132 37 C CA -0.619 58.379 59.018 -0.032 0.000 1.310 37 C CB -0.555 27.192 27.740 0.011 0.000 1.898 37 C HN 0.772 nan 8.230 nan 0.000 0.452 38 L N 4.906 126.152 121.223 0.040 0.000 2.307 38 L HA 0.679 5.019 4.340 0.000 0.000 0.282 38 L C -0.086 176.882 176.870 0.164 0.000 1.051 38 L CA 0.680 55.570 54.840 0.083 0.000 0.804 38 L CB 1.410 43.484 42.059 0.025 0.000 1.197 38 L HN 0.753 nan 8.230 nan 0.000 0.431 39 D N 1.509 122.072 120.400 0.272 0.000 2.934 39 D HA 0.635 5.275 4.640 0.000 0.000 0.230 39 D C -1.744 174.755 176.300 0.331 0.000 1.204 39 D CA -0.251 53.916 54.000 0.277 0.000 0.873 39 D CB 1.490 42.436 40.800 0.244 0.000 1.645 39 D HN 0.233 nan 8.370 nan 0.000 0.502 40 F N 3.110 123.100 119.950 0.067 0.000 2.641 40 F HA 0.592 5.119 4.527 0.000 0.000 0.308 40 F C -1.868 173.907 175.800 -0.041 0.000 1.105 40 F CA -0.565 57.442 58.000 0.011 0.000 0.964 40 F CB 1.704 40.698 39.000 -0.010 0.000 1.294 40 F HN 0.164 nan 8.300 nan 0.000 0.442 41 V N 5.133 124.454 119.914 -0.988 0.000 2.380 41 V HA 0.340 4.460 4.120 0.000 0.000 0.286 41 V C -0.363 175.142 176.094 -0.982 0.000 1.015 41 V CA -1.013 60.793 62.300 -0.823 0.000 0.834 41 V CB 1.428 32.655 31.823 -0.993 0.000 1.009 41 V HN 0.678 nan 8.190 nan 0.000 0.428 42 K N 5.764 125.891 120.400 -0.455 0.000 2.368 42 K HA 0.351 4.671 4.320 0.000 0.000 0.282 42 K C -2.390 174.046 176.600 -0.274 0.000 1.035 42 K CA -1.327 54.849 56.287 -0.185 0.000 0.973 42 K CB 0.889 33.413 32.500 0.041 0.000 0.957 42 K HN 0.388 nan 8.250 nan 0.000 0.474 43 P HA -0.002 nan 4.420 nan 0.000 0.271 43 P C -0.771 176.512 177.300 -0.030 0.000 1.218 43 P CA -0.495 62.509 63.100 -0.160 0.000 0.780 43 P CB 0.612 32.261 31.700 -0.085 0.000 0.901 44 T N 0.448 115.034 114.554 0.053 0.000 2.946 44 T HA 0.197 4.547 4.350 0.000 0.000 0.311 44 T C -2.110 172.646 174.700 0.094 0.000 1.063 44 T CA -1.168 61.020 62.100 0.146 0.000 1.139 44 T CB -0.470 68.540 68.868 0.238 0.000 0.994 44 T HN 0.270 nan 8.240 nan 0.000 0.547 45 P HA 0.293 nan 4.420 nan 0.000 0.279 45 P C -0.537 176.772 177.300 0.014 0.000 1.239 45 P CA 0.064 63.166 63.100 0.004 0.000 0.789 45 P CB 0.342 31.995 31.700 -0.078 0.000 0.933 46 T N 1.041 115.598 114.554 0.005 0.000 0.541 46 T HA -0.186 4.164 4.350 0.000 0.000 0.774 46 T C 0.862 175.598 174.700 0.060 0.000 0.992 46 T CA 0.188 62.303 62.100 0.023 0.000 4.077 46 T CB -1.180 67.706 68.868 0.029 0.000 2.303 46 T HN 0.628 nan 8.240 nan 0.000 0.398 47 L N 0.512 121.772 121.223 0.062 0.000 3.159 47 L HA -0.312 4.028 4.340 0.000 0.000 0.370 47 L C 1.867 178.787 176.870 0.082 0.000 1.458 47 L CA 1.974 56.864 54.840 0.083 0.000 3.093 47 L CB -1.807 40.318 42.059 0.109 0.000 1.152 47 L HN 2.381 nan 8.230 nan 0.000 0.779 48 G N 0.536 109.384 108.800 0.079 0.000 2.221 48 G HA2 -0.267 3.693 3.960 0.000 0.000 0.265 48 G HA3 -0.267 3.693 3.960 0.000 0.000 0.265 48 G C 0.189 175.130 174.900 0.068 0.000 1.041 48 G CA 0.693 45.827 45.100 0.057 0.000 0.807 48 G HN 0.460 nan 8.290 nan 0.000 0.502 49 T N 0.756 115.388 114.554 0.130 0.000 2.902 49 T HA 0.457 4.807 4.350 0.000 0.000 0.301 49 T C 0.620 175.393 174.700 0.121 0.000 1.012 49 T CA 0.965 63.188 62.100 0.205 0.000 1.151 49 T CB 0.978 70.041 68.868 0.326 0.000 0.946 49 T HN 0.934 nan 8.240 nan 0.000 0.542 50 K N 1.303 121.762 120.400 0.098 0.000 2.469 50 K HA 0.762 5.082 4.320 0.000 0.000 0.268 50 K C -1.542 175.124 176.600 0.110 0.000 1.027 50 K CA -1.287 54.854 56.287 -0.243 0.000 0.893 50 K CB 1.961 34.285 32.500 -0.294 0.000 1.460 50 K HN 0.694 nan 8.250 nan 0.000 0.449 51 W N -1.267 120.014 121.300 -0.032 0.000 2.826 51 W HA 0.619 5.279 4.660 0.000 0.000 0.410 51 W C -0.688 175.815 176.519 -0.027 0.000 1.128 51 W CA -1.008 56.328 57.345 -0.015 0.000 1.176 51 W CB 0.013 29.474 29.460 0.002 0.000 1.475 51 W HN 0.797 nan 8.180 nan 0.000 0.588 52 G N 0.293 109.271 108.800 0.297 0.000 2.531 52 G HA2 0.446 4.406 3.960 0.000 0.000 0.281 52 G HA3 0.446 4.406 3.960 0.000 0.000 0.281 52 G C -0.786 174.213 174.900 0.165 0.000 1.382 52 G CA -0.731 44.466 45.100 0.163 0.000 1.045 52 G HN 0.784 nan 8.290 nan 0.000 0.533 53 V N -0.462 119.487 119.914 0.059 0.000 2.963 53 V HA 0.488 4.608 4.120 0.000 0.000 0.306 53 V C 1.435 177.523 176.094 -0.010 0.000 1.077 53 V CA 1.895 64.168 62.300 -0.046 0.000 1.124 53 V CB 1.036 32.670 31.823 -0.316 0.000 0.987 53 V HN 1.959 nan 8.190 nan 0.000 0.487 54 G N 2.850 111.640 108.800 -0.016 0.000 2.260 54 G HA2 0.252 4.212 3.960 0.000 0.000 0.179 54 G HA3 0.252 4.212 3.960 0.000 0.000 0.179 54 G C 1.219 176.140 174.900 0.036 0.000 1.002 54 G CA 0.398 45.488 45.100 -0.016 0.000 0.677 54 G HN 2.394 nan 8.290 nan 0.000 0.486 55 G N -1.018 107.852 108.800 0.116 0.000 2.542 55 G HA2 0.027 3.987 3.960 0.000 0.000 0.235 55 G HA3 0.027 3.987 3.960 0.000 0.000 0.235 55 G C 0.822 175.795 174.900 0.122 0.000 1.286 55 G CA 0.896 46.093 45.100 0.161 0.000 0.904 55 G HN 1.152 nan 8.290 nan 0.000 0.577 56 T N -0.396 114.215 114.554 0.094 0.000 2.809 56 T HA -0.066 4.284 4.350 0.000 0.000 0.260 56 T C 2.439 177.107 174.700 -0.055 0.000 1.039 56 T CA 2.341 64.457 62.100 0.026 0.000 1.141 56 T CB -0.582 68.337 68.868 0.084 0.000 0.869 56 T HN 1.023 nan 8.240 nan 0.000 0.437 57 c N 1.446 120.036 118.600 -0.018 0.000 2.388 57 c HA -0.098 4.472 4.570 0.000 0.000 0.277 57 c C 2.732 176.760 174.090 -0.104 0.000 1.210 57 c CA 0.918 57.222 56.329 -0.042 0.000 1.743 57 c CB -1.206 41.297 42.510 -0.012 0.000 2.047 57 c HN 0.371 nan 8.230 nan 0.000 0.458 58 V N 1.761 121.619 119.914 -0.092 0.000 2.295 58 V HA -0.170 3.950 4.120 0.000 0.000 0.246 58 V C 2.345 178.331 176.094 -0.180 0.000 1.049 58 V CA 2.449 64.683 62.300 -0.110 0.000 1.024 58 V CB -0.725 31.052 31.823 -0.076 0.000 0.648 58 V HN 0.596 nan 8.190 nan 0.000 0.447 59 N N 0.017 118.568 118.700 -0.248 0.000 2.387 59 N HA 0.006 4.746 4.740 0.000 0.000 0.176 59 N C 1.154 176.337 175.510 -0.544 0.000 1.022 59 N CA 1.730 54.534 53.050 -0.409 0.000 0.883 59 N CB 0.995 39.100 38.487 -0.637 0.000 1.019 59 N HN 0.550 nan 8.380 nan 0.000 0.435 60 V N -3.878 115.724 119.914 -0.521 0.000 3.265 60 V HA 0.615 4.735 4.120 0.000 0.000 0.346 60 V C 0.505 176.529 176.094 -0.117 0.000 1.447 60 V CA -0.108 61.978 62.300 -0.357 0.000 1.179 60 V CB 0.548 31.966 31.823 -0.675 0.000 1.103 60 V HN 0.112 nan 8.190 nan 0.000 0.530 61 G N 0.166 108.830 108.800 -0.226 0.000 3.259 61 G HA2 0.203 4.163 3.960 0.000 0.000 0.193 61 G HA3 0.203 4.163 3.960 0.000 0.000 0.193 61 G C 1.002 175.797 174.900 -0.175 0.000 1.457 61 G CA 0.716 45.763 45.100 -0.088 0.000 0.771 61 G HN 0.291 nan 8.290 nan 0.000 0.765 62 c N 0.974 119.520 118.600 -0.091 0.000 2.413 62 c HA 0.030 4.600 4.570 0.000 0.000 0.276 62 c C 2.733 176.701 174.090 -0.203 0.000 1.248 62 c CA 0.306 56.580 56.329 -0.093 0.000 1.742 62 c CB -1.164 41.315 42.510 -0.050 0.000 2.017 62 c HN 0.375 nan 8.230 nan 0.000 0.481 63 I N 2.130 122.568 120.570 -0.222 0.000 2.162 63 I HA -0.050 4.120 4.170 0.000 0.000 0.238 63 I C 0.045 175.965 176.117 -0.328 0.000 1.076 63 I CA 1.489 62.657 61.300 -0.219 0.000 1.353 63 I CB -2.615 35.315 38.000 -0.115 0.000 1.063 63 I HN 0.199 nan 8.210 nan 0.000 0.408 64 P HA -0.186 nan 4.420 nan 0.000 0.220 64 P C 1.558 178.428 177.300 -0.716 0.000 1.148 64 P CA 1.425 64.138 63.100 -0.645 0.000 0.803 64 P CB -0.117 31.030 31.700 -0.922 0.000 0.782 65 K N 1.344 121.330 120.400 -0.689 0.000 2.057 65 K HA -0.152 4.168 4.320 0.000 0.000 0.206 65 K C 2.079 178.573 176.600 -0.177 0.000 1.050 65 K CA 1.555 57.694 56.287 -0.247 0.000 0.935 65 K CB -0.501 32.022 32.500 0.038 0.000 0.715 65 K HN -0.130 nan 8.250 nan 0.000 0.439 66 K N 1.046 121.281 120.400 -0.274 0.000 2.097 66 K HA -0.016 4.304 4.320 0.000 0.000 0.206 66 K C 2.252 178.730 176.600 -0.204 0.000 1.049 66 K CA 1.113 57.221 56.287 -0.298 0.000 0.933 66 K CB -0.258 32.000 32.500 -0.404 0.000 0.717 66 K HN 0.177 nan 8.250 nan 0.000 0.442 67 L N -0.197 120.872 121.223 -0.257 0.000 2.056 67 L HA -0.117 4.223 4.340 0.000 0.000 0.207 67 L C 2.471 179.202 176.870 -0.233 0.000 1.078 67 L CA 1.217 55.912 54.840 -0.242 0.000 0.749 67 L CB -0.338 41.565 42.059 -0.260 0.000 0.901 67 L HN 0.241 nan 8.230 nan 0.000 0.433 68 M N -1.441 117.965 119.600 -0.323 0.000 2.175 68 M HA -0.232 4.248 4.480 0.000 0.000 0.264 68 M C 2.352 178.539 176.300 -0.187 0.000 1.063 68 M CA 1.544 56.594 55.300 -0.417 0.000 1.119 68 M CB -0.895 31.090 32.600 -1.026 0.000 1.377 68 M HN 0.369 nan 8.290 nan 0.000 0.415 69 H N 0.261 119.240 119.070 -0.151 0.000 2.319 69 H HA -0.230 4.326 4.556 0.000 0.000 0.299 69 H C 2.161 177.501 175.328 0.019 0.000 1.092 69 H CA 2.032 58.124 56.048 0.074 0.000 1.302 69 H CB 0.130 29.956 29.762 0.107 0.000 1.373 69 H HN 0.294 nan 8.280 nan 0.000 0.497 70 Q N 0.963 120.695 119.800 -0.115 0.000 2.135 70 Q HA -0.107 4.233 4.340 0.000 0.000 0.204 70 Q C 2.331 178.253 176.000 -0.130 0.000 0.981 70 Q CA 1.934 57.637 55.803 -0.166 0.000 0.856 70 Q CB -0.528 28.123 28.738 -0.145 0.000 0.902 70 Q HN 0.530 nan 8.270 nan 0.000 0.425 71 A N -0.657 122.101 122.820 -0.104 0.000 1.902 71 A HA -0.177 4.143 4.320 0.000 0.000 0.217 71 A C 2.300 179.866 177.584 -0.029 0.000 1.181 71 A CA 1.892 53.885 52.037 -0.073 0.000 0.623 71 A CB -1.097 17.861 19.000 -0.071 0.000 0.818 71 A HN 0.453 nan 8.150 nan 0.000 0.443 72 S N -0.898 114.812 115.700 0.016 0.000 2.368 72 S HA -0.084 4.386 4.470 0.000 0.000 0.224 72 S C 1.876 176.477 174.600 0.001 0.000 1.029 72 S CA 1.266 59.507 58.200 0.068 0.000 0.988 72 S CB -0.359 62.960 63.200 0.197 0.000 0.838 72 S HN 0.288 nan 8.310 nan 0.000 0.462 73 L N 1.706 122.879 121.223 -0.083 0.000 2.079 73 L HA 0.037 4.377 4.340 0.000 0.000 0.210 73 L C 2.224 179.048 176.870 -0.078 0.000 1.081 73 L CA 1.423 56.206 54.840 -0.095 0.000 0.752 73 L CB -1.363 40.587 42.059 -0.180 0.000 0.896 73 L HN 0.388 nan 8.230 nan 0.000 0.433 74 L N -1.293 119.874 121.223 -0.093 0.000 2.093 74 L HA -0.113 4.227 4.340 0.000 0.000 0.208 74 L C 2.530 179.324 176.870 -0.126 0.000 1.085 74 L CA 1.135 55.909 54.840 -0.109 0.000 0.755 74 L CB -1.082 40.910 42.059 -0.112 0.000 0.904 74 L HN 0.353 nan 8.230 nan 0.000 0.435 75 G N -0.019 108.718 108.800 -0.104 0.000 2.469 75 G HA2 -0.264 3.696 3.960 0.000 0.000 0.219 75 G HA3 -0.264 3.696 3.960 0.000 0.000 0.219 75 G C 1.407 176.192 174.900 -0.192 0.000 1.150 75 G CA 0.804 45.812 45.100 -0.153 0.000 0.763 75 G HN 0.455 nan 8.290 nan 0.000 0.561 76 E N 0.636 120.814 120.200 -0.037 0.000 2.106 76 E HA 0.032 4.382 4.350 0.000 0.000 0.192 76 E C 2.924 179.512 176.600 -0.020 0.000 0.984 76 E CA 0.604 57.030 56.400 0.044 0.000 0.806 76 E CB -0.195 29.530 29.700 0.042 0.000 0.750 76 E HN 0.418 nan 8.360 nan 0.000 0.458 77 A N 1.279 124.054 122.820 -0.075 0.000 1.908 77 A HA -0.159 4.161 4.320 0.000 0.000 0.218 77 A C 2.544 180.051 177.584 -0.129 0.000 1.181 77 A CA 1.237 53.218 52.037 -0.094 0.000 0.627 77 A CB -0.761 18.167 19.000 -0.120 0.000 0.818 77 A HN 0.117 nan 8.150 nan 0.000 0.445 78 V N 0.027 119.820 119.914 -0.202 0.000 2.287 78 V HA -0.283 3.837 4.120 0.000 0.000 0.248 78 V C 2.469 178.455 176.094 -0.180 0.000 1.053 78 V CA 2.205 64.360 62.300 -0.243 0.000 1.027 78 V CB -1.117 30.517 31.823 -0.315 0.000 0.646 78 V HN 0.668 nan 8.190 nan 0.000 0.447 79 H N 0.464 119.525 119.070 -0.016 0.000 2.352 79 H HA -0.149 4.407 4.556 0.000 0.000 0.299 79 H C 2.343 177.694 175.328 0.040 0.000 1.097 79 H CA 1.860 57.913 56.048 0.008 0.000 1.311 79 H CB -0.222 29.538 29.762 -0.003 0.000 1.377 79 H HN 0.586 nan 8.280 nan 0.000 0.504 80 E N 0.313 120.599 120.200 0.143 0.000 2.216 80 E HA 0.014 4.364 4.350 0.000 0.000 0.192 80 E C 2.398 179.160 176.600 0.270 0.000 0.988 80 E CA 0.532 57.042 56.400 0.184 0.000 0.834 80 E CB 0.070 29.860 29.700 0.149 0.000 0.772 80 E HN 0.385 nan 8.360 nan 0.000 0.479 81 A N 1.636 124.548 122.820 0.153 0.000 1.940 81 A HA -0.143 4.177 4.320 0.000 0.000 0.219 81 A C 2.403 180.224 177.584 0.394 0.000 1.176 81 A CA 1.581 53.736 52.037 0.197 0.000 0.631 81 A CB -0.575 18.369 19.000 -0.093 0.000 0.814 81 A HN 0.293 nan 8.150 nan 0.000 0.446 82 A N -0.262 122.721 122.820 0.272 0.000 2.019 82 A HA 0.169 4.489 4.320 0.000 0.000 0.219 82 A C 2.372 180.093 177.584 0.229 0.000 1.164 82 A CA 1.852 54.037 52.037 0.248 0.000 0.644 82 A CB -0.774 18.328 19.000 0.170 0.000 0.805 82 A HN 1.062 nan 8.150 nan 0.000 0.449 83 A N -1.885 121.082 122.820 0.244 0.000 2.066 83 A HA 0.034 4.354 4.320 0.000 0.000 0.218 83 A C 1.663 179.290 177.584 0.071 0.000 1.157 83 A CA 0.971 53.079 52.037 0.119 0.000 0.670 83 A CB -0.593 18.445 19.000 0.064 0.000 0.804 83 A HN 0.619 nan 8.150 nan 0.000 0.453 84 Y N -1.095 119.292 120.300 0.144 0.000 2.461 84 Y HA 0.352 4.902 4.550 0.000 0.000 0.277 84 Y C 1.781 177.705 175.900 0.041 0.000 1.182 84 Y CA 0.434 58.610 58.100 0.127 0.000 1.276 84 Y CB 0.370 38.959 38.460 0.215 0.000 1.087 84 Y HN 0.427 nan 8.280 nan 0.000 0.519 85 G N -1.468 107.425 108.800 0.155 0.000 2.195 85 G HA2 -0.258 3.702 3.960 0.000 0.000 0.224 85 G HA3 -0.258 3.702 3.960 0.000 0.000 0.224 85 G C -0.124 174.755 174.900 -0.034 0.000 0.990 85 G CA -0.628 44.476 45.100 0.007 0.000 0.639 85 G HN 0.272 nan 8.290 nan 0.000 0.514 86 W N 2.258 123.609 121.300 0.084 0.000 2.223 86 W HA 0.438 5.098 4.660 0.000 0.000 0.334 86 W C 1.081 177.626 176.519 0.043 0.000 1.334 86 W CA 0.195 57.572 57.345 0.052 0.000 1.246 86 W CB 0.414 29.899 29.460 0.041 0.000 1.184 86 W HN 0.337 nan 8.180 nan 0.000 0.563 87 N N 2.855 121.707 118.700 0.255 0.000 3.091 87 N HA 0.058 4.798 4.740 0.000 0.000 0.301 87 N C -0.675 174.927 175.510 0.152 0.000 1.325 87 N CA -0.254 52.890 53.050 0.157 0.000 1.143 87 N CB -0.734 37.814 38.487 0.101 0.000 1.450 87 N HN 0.237 nan 8.380 nan 0.000 0.542 88 V N -1.771 118.241 119.914 0.164 0.000 2.732 88 V HA 0.304 4.424 4.120 0.000 0.000 0.297 88 V C 0.313 176.455 176.094 0.080 0.000 1.060 88 V CA -0.900 61.461 62.300 0.102 0.000 1.038 88 V CB 1.092 32.956 31.823 0.068 0.000 1.003 88 V HN 0.233 nan 8.190 nan 0.000 0.481 89 D N 2.751 123.184 120.400 0.055 0.000 2.341 89 D HA 0.152 4.792 4.640 0.000 0.000 0.245 89 D C 0.335 176.675 176.300 0.067 0.000 1.106 89 D CA -0.054 53.977 54.000 0.053 0.000 0.905 89 D CB 1.871 42.693 40.800 0.037 0.000 1.202 89 D HN 0.744 nan 8.370 nan 0.000 0.426 90 D N 1.440 121.887 120.400 0.079 0.000 2.277 90 D HA -0.066 4.574 4.640 0.000 0.000 0.209 90 D C 0.757 177.129 176.300 0.121 0.000 0.970 90 D CA 0.576 54.648 54.000 0.119 0.000 0.874 90 D CB 0.188 41.038 40.800 0.082 0.000 0.982 90 D HN 0.296 nan 8.370 nan 0.000 0.504 91 K N 1.696 122.137 120.400 0.070 0.000 3.277 91 K HA 0.116 4.436 4.320 0.000 0.000 0.280 91 K C 0.328 176.958 176.600 0.050 0.000 1.182 91 K CA -0.158 56.161 56.287 0.054 0.000 1.219 91 K CB -0.917 31.601 32.500 0.030 0.000 1.373 91 K HN 0.212 nan 8.250 nan 0.000 0.392 92 I N -1.637 118.973 120.570 0.068 0.000 2.581 92 I HA 0.319 4.489 4.170 0.000 0.000 0.288 92 I C -0.415 175.714 176.117 0.021 0.000 1.047 92 I CA -0.546 60.767 61.300 0.022 0.000 1.374 92 I CB 1.066 39.045 38.000 -0.035 0.000 1.423 92 I HN 0.019 nan 8.210 nan 0.000 0.549 93 K N 6.511 126.910 120.400 -0.001 0.000 2.498 93 K HA 0.609 4.929 4.320 0.000 0.000 0.254 93 K C -2.850 173.746 176.600 -0.006 0.000 0.933 93 K CA -1.290 54.992 56.287 -0.010 0.000 0.806 93 K CB 1.831 34.327 32.500 -0.008 0.000 1.301 93 K HN 0.670 nan 8.250 nan 0.000 0.432 94 P HA 0.177 nan 4.420 nan 0.000 0.286 94 P C -1.274 176.071 177.300 0.075 0.000 1.269 94 P CA -0.268 62.850 63.100 0.030 0.000 0.787 94 P CB 1.164 32.894 31.700 0.050 0.000 0.920 95 D N 3.049 123.495 120.400 0.077 0.000 2.339 95 D HA -0.031 4.609 4.640 0.000 0.000 0.241 95 D C 1.063 177.447 176.300 0.139 0.000 1.183 95 D CA -0.467 53.603 54.000 0.116 0.000 0.859 95 D CB 0.356 41.214 40.800 0.098 0.000 1.067 95 D HN 0.488 nan 8.370 nan 0.000 0.484 96 W N 5.467 126.747 121.300 -0.032 0.000 2.335 96 W HA -0.247 4.413 4.660 0.000 0.000 0.311 96 W C 1.163 177.627 176.519 -0.092 0.000 1.213 96 W CA 1.199 58.502 57.345 -0.071 0.000 1.274 96 W CB -0.010 29.341 29.460 -0.182 0.000 1.148 96 W HN 0.625 nan 8.180 nan 0.000 0.498 97 H N 0.537 119.681 119.070 0.123 0.000 2.353 97 H HA -0.102 4.454 4.556 0.000 0.000 0.300 97 H C 2.091 177.365 175.328 -0.091 0.000 1.090 97 H CA 1.781 57.819 56.048 -0.018 0.000 1.327 97 H CB -0.490 29.330 29.762 0.097 0.000 1.383 97 H HN 0.218 nan 8.280 nan 0.000 0.508 98 K N 0.387 120.825 120.400 0.062 0.000 2.057 98 K HA -0.114 4.206 4.320 0.000 0.000 0.207 98 K C 2.252 178.799 176.600 -0.088 0.000 1.049 98 K CA 0.838 57.121 56.287 -0.007 0.000 0.931 98 K CB -0.178 32.328 32.500 0.009 0.000 0.714 98 K HN -0.008 nan 8.250 nan 0.000 0.440 99 L N 1.092 122.229 121.223 -0.143 0.000 1.970 99 L HA -0.205 4.135 4.340 0.000 0.000 0.212 99 L C 2.030 178.709 176.870 -0.319 0.000 1.071 99 L CA 1.666 56.369 54.840 -0.228 0.000 0.751 99 L CB -0.628 41.275 42.059 -0.260 0.000 0.889 99 L HN -0.067 nan 8.230 nan 0.000 0.432 100 V N -0.335 119.281 119.914 -0.497 0.000 2.324 100 V HA -0.379 3.741 4.120 0.000 0.000 0.250 100 V C 2.669 178.647 176.094 -0.194 0.000 1.060 100 V CA 2.207 64.250 62.300 -0.427 0.000 1.042 100 V CB -0.698 30.798 31.823 -0.545 0.000 0.650 100 V HN 0.601 nan 8.190 nan 0.000 0.450 101 Q N -0.588 119.134 119.800 -0.130 0.000 2.061 101 Q HA -0.200 4.140 4.340 0.000 0.000 0.204 101 Q C 2.557 178.518 176.000 -0.065 0.000 0.984 101 Q CA 2.033 57.796 55.803 -0.067 0.000 0.846 101 Q CB -0.222 28.494 28.738 -0.037 0.000 0.902 101 Q HN 0.630 nan 8.270 nan 0.000 0.421 102 S N -0.109 115.541 115.700 -0.082 0.000 2.359 102 S HA -0.162 4.308 4.470 0.000 0.000 0.223 102 S C 2.045 176.607 174.600 -0.063 0.000 1.039 102 S CA 1.424 59.581 58.200 -0.072 0.000 1.042 102 S CB -0.321 62.824 63.200 -0.092 0.000 0.915 102 S HN 0.182 nan 8.310 nan 0.000 0.439 103 V N 1.940 121.791 119.914 -0.105 0.000 2.295 103 V HA -0.171 3.949 4.120 0.000 0.000 0.246 103 V C 2.647 178.712 176.094 -0.047 0.000 1.049 103 V CA 1.548 63.789 62.300 -0.098 0.000 1.024 103 V CB -0.639 31.082 31.823 -0.170 0.000 0.648 103 V HN 0.406 nan 8.190 nan 0.000 0.447 104 Q N -0.034 119.733 119.800 -0.056 0.000 2.079 104 Q HA -0.141 4.199 4.340 0.000 0.000 0.200 104 Q C 2.187 178.178 176.000 -0.016 0.000 0.974 104 Q CA 1.259 57.044 55.803 -0.029 0.000 0.840 104 Q CB -0.733 27.995 28.738 -0.018 0.000 0.898 104 Q HN 0.640 nan 8.270 nan 0.000 0.430 105 N N 0.523 119.215 118.700 -0.013 0.000 2.061 105 N HA -0.201 4.539 4.740 0.000 0.000 0.193 105 N C 1.664 177.179 175.510 0.008 0.000 1.030 105 N CA 1.276 54.323 53.050 -0.005 0.000 0.856 105 N CB -0.734 37.749 38.487 -0.006 0.000 1.023 105 N HN 0.469 nan 8.380 nan 0.000 0.424 106 H N 0.561 119.596 119.070 -0.058 0.000 2.319 106 H HA -0.018 4.538 4.556 0.000 0.000 0.299 106 H C 2.111 177.410 175.328 -0.047 0.000 1.092 106 H CA 1.395 57.408 56.048 -0.058 0.000 1.302 106 H CB -0.119 29.593 29.762 -0.083 0.000 1.373 106 H HN 0.155 nan 8.280 nan 0.000 0.497 107 I N 0.853 121.346 120.570 -0.129 0.000 2.226 107 I HA -0.250 3.920 4.170 0.000 0.000 0.245 107 I C 2.272 178.314 176.117 -0.125 0.000 1.100 107 I CA 1.045 62.248 61.300 -0.161 0.000 1.374 107 I CB -0.081 37.868 38.000 -0.086 0.000 1.057 107 I HN 0.127 nan 8.210 nan 0.000 0.413 108 K N 0.467 120.828 120.400 -0.064 0.000 2.217 108 K HA 0.008 4.328 4.320 0.000 0.000 0.202 108 K C 2.149 178.748 176.600 -0.002 0.000 1.051 108 K CA 0.912 57.193 56.287 -0.010 0.000 0.952 108 K CB -0.783 31.720 32.500 0.004 0.000 0.736 108 K HN 0.179 nan 8.250 nan 0.000 0.453 109 S N 0.942 116.606 115.700 -0.059 0.000 2.368 109 S HA -0.091 4.379 4.470 0.000 0.000 0.225 109 S C 2.130 176.706 174.600 -0.040 0.000 1.030 109 S CA 1.217 59.399 58.200 -0.030 0.000 0.999 109 S CB -0.288 62.876 63.200 -0.060 0.000 0.844 109 S HN 0.019 nan 8.310 nan 0.000 0.459 110 V N 2.837 122.642 119.914 -0.182 0.000 2.427 110 V HA -0.138 3.982 4.120 0.000 0.000 0.248 110 V C 2.137 178.194 176.094 -0.063 0.000 1.051 110 V CA 1.409 63.610 62.300 -0.165 0.000 1.048 110 V CB -0.787 30.874 31.823 -0.270 0.000 0.666 110 V HN 0.406 nan 8.190 nan 0.000 0.456 111 N N -0.571 118.118 118.700 -0.018 0.000 2.084 111 N HA -0.214 4.526 4.740 0.000 0.000 0.190 111 N C 1.590 177.146 175.510 0.077 0.000 1.030 111 N CA 1.740 54.807 53.050 0.027 0.000 0.849 111 N CB -0.421 38.113 38.487 0.078 0.000 1.012 111 N HN 0.684 nan 8.380 nan 0.000 0.423 112 W N 1.825 123.092 121.300 -0.056 0.000 2.333 112 W HA -0.185 4.475 4.660 0.000 0.000 0.316 112 W C 1.749 178.240 176.519 -0.046 0.000 1.215 112 W CA 1.093 58.414 57.345 -0.040 0.000 1.278 112 W CB -0.318 29.123 29.460 -0.033 0.000 1.154 112 W HN -0.167 nan 8.180 nan 0.000 0.486 113 V N 1.186 121.065 119.914 -0.058 0.000 2.324 113 V HA -0.380 3.740 4.120 0.000 0.000 0.250 113 V C 2.293 178.256 176.094 -0.219 0.000 1.060 113 V CA 2.663 64.868 62.300 -0.158 0.000 1.042 113 V CB -1.429 30.360 31.823 -0.056 0.000 0.650 113 V HN 0.225 nan 8.190 nan 0.000 0.450 114 T N -0.794 113.657 114.554 -0.171 0.000 2.737 114 T HA -0.224 4.126 4.350 0.000 0.000 0.265 114 T C 2.038 176.597 174.700 -0.235 0.000 1.038 114 T CA 1.777 63.774 62.100 -0.173 0.000 1.144 114 T CB -0.261 68.525 68.868 -0.137 0.000 0.866 114 T HN 0.406 nan 8.240 nan 0.000 0.434 115 R N 0.535 120.867 120.500 -0.281 0.000 2.091 115 R HA -0.090 4.250 4.340 0.000 0.000 0.238 115 R C 2.267 178.339 176.300 -0.379 0.000 1.136 115 R CA 1.278 57.188 56.100 -0.317 0.000 0.959 115 R CB -0.509 29.629 30.300 -0.270 0.000 0.856 115 R HN 0.225 nan 8.270 nan 0.000 0.437 116 V N 0.908 120.486 119.914 -0.560 0.000 2.427 116 V HA -0.195 3.925 4.120 0.000 0.000 0.248 116 V C 1.846 177.778 176.094 -0.270 0.000 1.051 116 V CA 2.106 64.107 62.300 -0.498 0.000 1.048 116 V CB -0.528 30.911 31.823 -0.640 0.000 0.666 116 V HN 0.443 nan 8.190 nan 0.000 0.456 117 D N 0.034 120.295 120.400 -0.232 0.000 2.117 117 D HA -0.149 4.491 4.640 0.000 0.000 0.197 117 D C 2.056 178.283 176.300 -0.122 0.000 0.987 117 D CA 1.316 55.225 54.000 -0.151 0.000 0.829 117 D CB -0.113 40.608 40.800 -0.131 0.000 0.961 117 D HN 0.366 nan 8.370 nan 0.000 0.460 118 L N -0.095 121.048 121.223 -0.133 0.000 1.994 118 L HA -0.135 4.205 4.340 0.000 0.000 0.208 118 L C 2.840 179.672 176.870 -0.064 0.000 1.071 118 L CA 1.198 55.982 54.840 -0.095 0.000 0.745 118 L CB -0.545 41.450 42.059 -0.106 0.000 0.892 118 L HN 0.062 nan 8.230 nan 0.000 0.431 119 R N 0.175 120.631 120.500 -0.073 0.000 2.091 119 R HA -0.195 4.145 4.340 0.000 0.000 0.238 119 R C 1.889 178.157 176.300 -0.054 0.000 1.136 119 R CA 2.068 58.137 56.100 -0.051 0.000 0.959 119 R CB -0.250 30.007 30.300 -0.072 0.000 0.856 119 R HN 0.354 nan 8.270 nan 0.000 0.437 120 D N 0.362 120.717 120.400 -0.075 0.000 2.117 120 D HA -0.125 4.515 4.640 0.000 0.000 0.197 120 D C 1.419 177.692 176.300 -0.046 0.000 0.987 120 D CA 1.332 55.296 54.000 -0.060 0.000 0.829 120 D CB -0.027 40.731 40.800 -0.070 0.000 0.961 120 D HN 0.228 nan 8.370 nan 0.000 0.460 121 K N 0.412 120.782 120.400 -0.050 0.000 2.525 121 K HA 0.017 4.337 4.320 0.000 0.000 0.192 121 K C 0.083 176.662 176.600 -0.034 0.000 1.029 121 K CA 0.117 56.379 56.287 -0.042 0.000 1.029 121 K CB 0.355 32.827 32.500 -0.047 0.000 0.814 121 K HN -0.076 nan 8.250 nan 0.000 0.503 122 K N -0.403 119.981 120.400 -0.028 0.000 3.230 122 K HA -0.143 4.177 4.320 0.000 0.000 0.285 122 K C -0.643 175.952 176.600 -0.009 0.000 1.196 122 K CA 0.398 56.677 56.287 -0.015 0.000 0.838 122 K CB -2.610 29.881 32.500 -0.014 0.000 1.262 122 K HN 0.015 nan 8.250 nan 0.000 0.492 123 V N 1.580 121.485 119.914 -0.015 0.000 2.455 123 V HA 0.062 4.182 4.120 0.000 0.000 0.273 123 V C 1.058 177.165 176.094 0.021 0.000 1.045 123 V CA -0.238 62.057 62.300 -0.009 0.000 0.976 123 V CB 1.336 33.146 31.823 -0.022 0.000 0.993 123 V HN 0.171 nan 8.190 nan 0.000 0.475 124 E N 4.521 124.733 120.200 0.020 0.000 2.166 124 E HA 0.080 4.430 4.350 0.000 0.000 0.279 124 E C -1.266 175.363 176.600 0.049 0.000 1.095 124 E CA -0.458 55.962 56.400 0.032 0.000 0.888 124 E CB 0.402 30.122 29.700 0.033 0.000 1.041 124 E HN 0.610 nan 8.360 nan 0.000 0.414 125 Y N 6.998 127.271 120.300 -0.046 0.000 2.341 125 Y HA 0.304 4.854 4.550 0.000 0.000 0.340 125 Y C -1.194 174.690 175.900 -0.026 0.000 0.997 125 Y CA -1.321 56.754 58.100 -0.041 0.000 1.149 125 Y CB 0.413 38.852 38.460 -0.034 0.000 1.171 125 Y HN 0.298 nan 8.280 nan 0.000 0.494 126 I N 6.520 126.961 120.570 -0.215 0.000 2.362 126 I HA 0.186 4.356 4.170 0.000 0.000 0.289 126 I C 0.189 176.068 176.117 -0.398 0.000 0.994 126 I CA -0.779 60.322 61.300 -0.332 0.000 1.158 126 I CB 1.265 39.178 38.000 -0.145 0.000 1.315 126 I HN 0.736 nan 8.210 nan 0.000 0.451 127 N N 4.813 123.203 118.700 -0.517 0.000 3.124 127 N HA 0.401 5.141 4.740 0.000 0.000 0.284 127 N C -0.040 175.486 175.510 0.027 0.000 1.209 127 N CA -0.088 52.848 53.050 -0.190 0.000 1.149 127 N CB 0.278 38.661 38.487 -0.173 0.000 1.434 127 N HN 0.920 nan 8.380 nan 0.000 0.529 128 G N 0.869 109.693 108.800 0.041 0.000 2.682 128 G HA2 0.390 4.350 3.960 0.000 0.000 0.290 128 G HA3 0.390 4.350 3.960 0.000 0.000 0.290 128 G C -1.786 173.061 174.900 -0.087 0.000 1.425 128 G CA -0.667 44.391 45.100 -0.069 0.000 0.807 128 G HN 0.267 nan 8.290 nan 0.000 0.482 129 L N 1.463 122.510 121.223 -0.293 0.000 2.257 129 L HA 0.693 5.033 4.340 0.000 0.000 0.290 129 L C 0.751 177.536 176.870 -0.143 0.000 1.044 129 L CA -0.144 54.562 54.840 -0.225 0.000 0.810 129 L CB 0.818 42.631 42.059 -0.410 0.000 1.193 129 L HN 0.658 nan 8.230 nan 0.000 0.425 130 G N 2.944 111.690 108.800 -0.091 0.000 2.348 130 G HA2 0.576 4.536 3.960 0.000 0.000 0.312 130 G HA3 0.576 4.536 3.960 0.000 0.000 0.312 130 G C -1.000 173.804 174.900 -0.160 0.000 1.126 130 G CA -0.134 44.890 45.100 -0.126 0.000 0.865 130 G HN 0.723 nan 8.290 nan 0.000 0.474 131 S N 0.671 116.256 115.700 -0.192 0.000 2.549 131 S HA 0.658 5.128 4.470 0.000 0.000 0.280 131 S C -0.877 173.584 174.600 -0.232 0.000 1.109 131 S CA -0.866 57.236 58.200 -0.163 0.000 0.905 131 S CB 1.447 64.609 63.200 -0.064 0.000 1.081 131 S HN 0.322 nan 8.310 nan 0.000 0.477 132 F N 1.714 121.608 119.950 -0.093 0.000 2.495 132 F HA 0.294 4.821 4.527 0.000 0.000 0.365 132 F C 1.499 177.244 175.800 -0.092 0.000 1.090 132 F CA -0.162 57.750 58.000 -0.147 0.000 1.235 132 F CB 0.971 39.847 39.000 -0.207 0.000 1.119 132 F HN 0.458 nan 8.300 nan 0.000 0.562 133 V N 1.057 121.037 119.914 0.109 0.000 2.500 133 V HA -0.012 4.109 4.120 0.000 0.000 0.243 133 V C -0.152 175.994 176.094 0.086 0.000 1.039 133 V CA 1.369 63.718 62.300 0.082 0.000 1.053 133 V CB -0.386 31.477 31.823 0.068 0.000 0.695 133 V HN 0.892 nan 8.190 nan 0.000 0.463 134 D N -3.219 117.244 120.400 0.105 0.000 2.665 134 D HA 0.137 4.777 4.640 0.000 0.000 0.287 134 D C 0.767 177.066 176.300 -0.003 0.000 1.266 134 D CA 0.212 54.242 54.000 0.050 0.000 0.830 134 D CB 0.772 41.619 40.800 0.078 0.000 1.356 134 D HN -0.031 nan 8.370 nan 0.000 0.437 135 S N -1.031 114.611 115.700 -0.097 0.000 2.488 135 S HA -0.257 4.213 4.470 0.000 0.000 0.246 135 S C 0.598 175.036 174.600 -0.270 0.000 0.992 135 S CA 1.373 59.413 58.200 -0.268 0.000 0.963 135 S CB -0.720 62.348 63.200 -0.219 0.000 0.754 135 S HN 0.617 nan 8.310 nan 0.000 0.519 136 H N -0.117 118.986 119.070 0.055 0.000 2.893 136 H HA 0.362 4.918 4.556 0.000 0.000 0.270 136 H C -0.365 175.178 175.328 0.358 0.000 1.095 136 H CA 0.320 56.505 56.048 0.228 0.000 1.186 136 H CB 1.007 30.831 29.762 0.103 0.000 1.562 136 H HN 0.332 nan 8.280 nan 0.000 0.536 137 T N 1.053 115.780 114.554 0.289 0.000 2.848 137 T HA 0.485 4.835 4.350 0.000 0.000 0.285 137 T C -1.047 173.737 174.700 0.140 0.000 0.995 137 T CA -0.619 61.648 62.100 0.278 0.000 0.970 137 T CB 2.228 71.221 68.868 0.209 0.000 0.976 137 T HN -0.023 nan 8.240 nan 0.000 0.441 138 L N 3.390 124.718 121.223 0.174 0.000 2.385 138 L HA 0.716 5.056 4.340 0.000 0.000 0.273 138 L C -1.355 175.525 176.870 0.018 0.000 0.990 138 L CA -1.014 53.823 54.840 -0.005 0.000 0.821 138 L CB 1.721 43.814 42.059 0.057 0.000 1.279 138 L HN 0.619 nan 8.230 nan 0.000 0.412 139 L N 5.187 126.388 121.223 -0.037 0.000 2.265 139 L HA 0.783 5.123 4.340 0.000 0.000 0.288 139 L C -0.234 176.599 176.870 -0.062 0.000 1.058 139 L CA 0.048 54.870 54.840 -0.029 0.000 0.809 139 L CB 1.132 43.172 42.059 -0.031 0.000 1.179 139 L HN 0.724 nan 8.230 nan 0.000 0.429 140 A N 5.811 128.601 122.820 -0.050 0.000 2.260 140 A HA 0.517 4.837 4.320 0.000 0.000 0.308 140 A C -0.348 177.181 177.584 -0.092 0.000 1.254 140 A CA -0.633 51.360 52.037 -0.075 0.000 0.874 140 A CB 0.143 19.109 19.000 -0.058 0.000 1.153 140 A HN 0.706 nan 8.150 nan 0.000 0.527 141 K N 3.677 123.994 120.400 -0.139 0.000 2.263 141 K HA 0.410 4.730 4.320 0.000 0.000 0.272 141 K C -0.674 175.809 176.600 -0.195 0.000 1.033 141 K CA -0.445 55.747 56.287 -0.159 0.000 0.884 141 K CB 1.114 33.499 32.500 -0.192 0.000 1.107 141 K HN 0.539 nan 8.250 nan 0.000 0.460 142 L N 2.582 123.728 121.223 -0.129 0.000 2.454 142 L HA 0.196 4.536 4.340 0.000 0.000 0.256 142 L C 1.867 178.688 176.870 -0.082 0.000 1.136 142 L CA -0.030 54.750 54.840 -0.099 0.000 0.804 142 L CB 0.770 42.790 42.059 -0.065 0.000 1.181 142 L HN 0.662 nan 8.230 nan 0.000 0.469 143 K N 0.712 121.095 120.400 -0.028 0.000 2.052 143 K HA -0.181 4.139 4.320 0.000 0.000 0.215 143 K C 0.575 177.167 176.600 -0.014 0.000 1.053 143 K CA 1.860 58.151 56.287 0.008 0.000 0.934 143 K CB 0.042 32.564 32.500 0.037 0.000 0.717 143 K HN 0.614 nan 8.250 nan 0.000 0.450 144 S N -0.794 114.895 115.700 -0.018 0.000 2.745 144 S HA 0.624 5.094 4.470 0.000 0.000 0.283 144 S C -0.308 174.277 174.600 -0.026 0.000 1.170 144 S CA -0.215 57.972 58.200 -0.021 0.000 1.119 144 S CB 1.299 64.493 63.200 -0.010 0.000 1.035 144 S HN 0.596 nan 8.310 nan 0.000 0.483 145 G N 2.408 111.187 108.800 -0.035 0.000 2.316 145 G HA2 0.270 4.230 3.960 0.000 0.000 0.349 145 G HA3 0.270 4.230 3.960 0.000 0.000 0.349 145 G C -1.732 173.142 174.900 -0.043 0.000 1.274 145 G CA -0.778 44.303 45.100 -0.032 0.000 1.018 145 G HN 0.744 nan 8.290 nan 0.000 0.486 146 E N -0.596 119.584 120.200 -0.033 0.000 2.392 146 E HA 0.603 4.953 4.350 0.000 0.000 0.279 146 E C -0.751 175.839 176.600 -0.017 0.000 0.964 146 E CA -0.924 55.456 56.400 -0.034 0.000 0.777 146 E CB 2.335 32.016 29.700 -0.031 0.000 1.249 146 E HN 0.541 nan 8.360 nan 0.000 0.449 147 R N 0.751 121.243 120.500 -0.012 0.000 2.686 147 R HA 0.510 4.850 4.340 0.000 0.000 0.283 147 R C -1.076 175.239 176.300 0.026 0.000 0.978 147 R CA -0.831 55.277 56.100 0.013 0.000 0.897 147 R CB 2.347 32.661 30.300 0.024 0.000 1.192 147 R HN 0.364 nan 8.270 nan 0.000 0.457 148 T N 4.077 118.660 114.554 0.047 0.000 2.758 148 T HA 0.505 4.855 4.350 0.000 0.000 0.285 148 T C 0.173 174.941 174.700 0.113 0.000 0.981 148 T CA -0.565 61.577 62.100 0.070 0.000 0.965 148 T CB 0.421 69.326 68.868 0.062 0.000 0.927 148 T HN 0.462 nan 8.240 nan 0.000 0.448 149 I N 0.688 121.350 120.570 0.152 0.000 2.689 149 I HA 0.783 4.953 4.170 0.000 0.000 0.299 149 I C 0.152 176.441 176.117 0.286 0.000 1.059 149 I CA -1.070 60.366 61.300 0.227 0.000 1.055 149 I CB 2.371 40.539 38.000 0.280 0.000 1.243 149 I HN 0.525 nan 8.210 nan 0.000 0.425 150 T N 1.716 116.455 114.554 0.308 0.000 2.945 150 T HA 0.917 5.267 4.350 0.000 0.000 0.286 150 T C -0.325 174.521 174.700 0.243 0.000 1.025 150 T CA -0.679 61.635 62.100 0.356 0.000 1.039 150 T CB 1.934 71.077 68.868 0.458 0.000 1.068 150 T HN 1.128 nan 8.240 nan 0.000 0.497 151 A N 0.866 123.697 122.820 0.018 0.000 2.572 151 A HA 0.624 4.944 4.320 0.000 0.000 0.295 151 A C 0.764 178.028 177.584 -0.533 0.000 1.072 151 A CA -0.705 51.202 52.037 -0.216 0.000 0.691 151 A CB 1.684 20.337 19.000 -0.579 0.000 1.291 151 A HN 0.825 nan 8.150 nan 0.000 0.404 152 Q N 0.598 120.221 119.800 -0.294 0.000 2.002 152 Q HA -0.056 4.284 4.340 0.000 0.000 0.204 152 Q C 1.022 177.004 176.000 -0.030 0.000 0.988 152 Q CA 2.771 58.500 55.803 -0.124 0.000 0.843 152 Q CB -0.133 28.732 28.738 0.211 0.000 0.908 152 Q HN 1.057 nan 8.270 nan 0.000 0.420 153 T N -1.943 112.599 114.554 -0.019 0.000 2.887 153 T HA 0.602 4.952 4.350 0.000 0.000 0.288 153 T C -0.964 173.704 174.700 -0.054 0.000 1.021 153 T CA -0.833 61.311 62.100 0.074 0.000 1.000 153 T CB 0.723 69.672 68.868 0.135 0.000 1.034 153 T HN 0.072 nan 8.240 nan 0.000 0.467 154 F N 2.154 122.191 119.950 0.146 0.000 2.467 154 F HA 0.600 5.127 4.527 0.000 0.000 0.336 154 F C -0.204 175.732 175.800 0.226 0.000 1.123 154 F CA -0.925 57.183 58.000 0.181 0.000 0.964 154 F CB 2.325 41.502 39.000 0.294 0.000 1.136 154 F HN 0.382 nan 8.300 nan 0.000 0.447 155 V N 5.476 125.567 119.914 0.296 0.000 2.350 155 V HA 0.330 4.450 4.120 0.000 0.000 0.276 155 V C 0.138 176.384 176.094 0.254 0.000 1.028 155 V CA -0.686 61.770 62.300 0.260 0.000 0.860 155 V CB 1.321 33.228 31.823 0.141 0.000 0.990 155 V HN 0.523 nan 8.190 nan 0.000 0.453 156 I N 4.568 125.297 120.570 0.265 0.000 2.322 156 I HA 0.457 4.627 4.170 0.000 0.000 0.292 156 I C 0.735 176.952 176.117 0.166 0.000 1.060 156 I CA 0.149 61.583 61.300 0.224 0.000 1.309 156 I CB 1.161 39.300 38.000 0.231 0.000 1.415 156 I HN 0.693 nan 8.210 nan 0.000 0.492 157 A N 6.162 129.066 122.820 0.140 0.000 2.956 157 A HA 0.354 4.674 4.320 0.000 0.000 0.294 157 A C 0.895 178.548 177.584 0.114 0.000 0.993 157 A CA -0.326 51.782 52.037 0.120 0.000 1.032 157 A CB -0.004 19.058 19.000 0.103 0.000 1.129 157 A HN 0.644 nan 8.150 nan 0.000 0.505 158 V N -3.027 116.959 119.914 0.119 0.000 3.406 158 V HA 0.471 4.591 4.120 0.000 0.000 0.263 158 V C 1.301 177.468 176.094 0.121 0.000 1.172 158 V CA 0.667 63.038 62.300 0.118 0.000 1.140 158 V CB -1.424 30.468 31.823 0.116 0.000 0.784 158 V HN 1.684 nan 8.190 nan 0.000 0.467 159 G N 0.227 109.097 108.800 0.116 0.000 2.575 159 G HA2 0.149 4.109 3.960 0.000 0.000 0.267 159 G HA3 0.149 4.109 3.960 0.000 0.000 0.267 159 G C 0.274 175.244 174.900 0.117 0.000 1.264 159 G CA 0.096 45.266 45.100 0.117 0.000 0.935 159 G HN 1.649 nan 8.290 nan 0.000 0.568 160 G N -1.657 107.217 108.800 0.123 0.000 3.022 160 G HA2 0.791 4.751 3.960 0.000 0.000 0.284 160 G HA3 0.791 4.751 3.960 0.000 0.000 0.284 160 G C -0.976 174.009 174.900 0.142 0.000 1.375 160 G CA -0.431 44.740 45.100 0.119 0.000 0.902 160 G HN 0.710 nan 8.290 nan 0.000 0.538 161 R N -0.698 119.884 120.500 0.136 0.000 2.808 161 R HA 0.475 4.815 4.340 0.000 0.000 0.272 161 R C -2.860 173.517 176.300 0.128 0.000 0.995 161 R CA -1.889 54.307 56.100 0.160 0.000 0.917 161 R CB 1.562 31.972 30.300 0.183 0.000 1.217 161 R HN 0.268 nan 8.270 nan 0.000 0.471 162 P HA 0.083 nan 4.420 nan 0.000 0.266 162 P C -0.333 176.993 177.300 0.044 0.000 1.195 162 P CA 0.185 63.316 63.100 0.053 0.000 0.768 162 P CB 0.516 32.227 31.700 0.019 0.000 0.838 163 R N 2.120 122.617 120.500 -0.004 0.000 2.500 163 R HA 0.423 4.763 4.340 0.000 0.000 0.275 163 R C -0.468 175.762 176.300 -0.118 0.000 1.051 163 R CA -0.304 55.800 56.100 0.006 0.000 1.088 163 R CB 0.476 30.772 30.300 -0.007 0.000 1.063 163 R HN 0.464 nan 8.270 nan 0.000 0.511 164 Y N 1.390 121.621 120.300 -0.115 0.000 2.429 164 Y HA 0.303 4.853 4.550 0.000 0.000 0.342 164 Y C -1.658 174.016 175.900 -0.376 0.000 1.004 164 Y CA -2.369 55.551 58.100 -0.300 0.000 1.075 164 Y CB 1.321 39.654 38.460 -0.211 0.000 1.214 164 Y HN 0.470 nan 8.280 nan 0.000 0.455 165 P HA -0.007 nan 4.420 nan 0.000 0.272 165 P C -0.715 176.432 177.300 -0.255 0.000 1.230 165 P CA -0.178 62.675 63.100 -0.412 0.000 0.788 165 P CB 0.955 32.248 31.700 -0.678 0.000 0.949 166 D N 1.344 121.650 120.400 -0.155 0.000 2.563 166 D HA 0.420 5.060 4.640 0.000 0.000 0.222 166 D C -0.822 175.429 176.300 -0.081 0.000 1.145 166 D CA -0.041 53.901 54.000 -0.097 0.000 1.001 166 D CB -1.053 39.711 40.800 -0.060 0.000 1.049 166 D HN 0.118 nan 8.370 nan 0.000 0.515 167 I N 2.230 122.748 120.570 -0.088 0.000 2.913 167 I HA 0.350 4.520 4.170 0.000 0.000 0.302 167 I C -2.365 173.751 176.117 -0.003 0.000 1.246 167 I CA -2.331 58.941 61.300 -0.045 0.000 1.010 167 I CB 2.486 40.436 38.000 -0.083 0.000 1.259 167 I HN 0.050 nan 8.210 nan 0.000 0.434 168 P HA 0.369 nan 4.420 nan 0.000 0.276 168 P C 0.488 177.880 177.300 0.153 0.000 1.230 168 P CA 0.268 63.411 63.100 0.072 0.000 0.776 168 P CB 0.755 32.500 31.700 0.075 0.000 0.888 169 G N 2.102 110.990 108.800 0.147 0.000 2.199 169 G HA2 -0.329 3.631 3.960 0.000 0.000 0.254 169 G HA3 -0.329 3.631 3.960 0.000 0.000 0.254 169 G C 1.170 176.231 174.900 0.268 0.000 0.982 169 G CA 0.604 45.861 45.100 0.262 0.000 0.632 169 G HN 0.679 nan 8.290 nan 0.000 0.529 170 A N 0.047 123.003 122.820 0.227 0.000 1.852 170 A HA 0.067 4.387 4.320 0.000 0.000 0.217 170 A C 2.880 180.742 177.584 0.463 0.000 1.215 170 A CA 3.925 56.166 52.037 0.340 0.000 0.641 170 A CB -1.079 17.893 19.000 -0.047 0.000 0.838 170 A HN 1.788 nan 8.150 nan 0.000 0.450 171 V N 0.657 120.591 119.914 0.033 0.000 2.379 171 V HA -0.160 3.960 4.120 0.000 0.000 0.245 171 V C 2.314 178.356 176.094 -0.086 0.000 1.044 171 V CA 2.456 64.627 62.300 -0.215 0.000 1.036 171 V CB -0.852 30.579 31.823 -0.654 0.000 0.664 171 V HN 0.722 nan 8.190 nan 0.000 0.453 172 E N 0.075 120.144 120.200 -0.219 0.000 2.110 172 E HA -0.231 4.119 4.350 0.000 0.000 0.193 172 E C 1.820 178.254 176.600 -0.277 0.000 0.988 172 E CA 2.084 58.240 56.400 -0.408 0.000 0.804 172 E CB -0.691 28.547 29.700 -0.769 0.000 0.745 172 E HN 0.787 nan 8.360 nan 0.000 0.458 173 Y N 0.531 120.926 120.300 0.157 0.000 2.444 173 Y HA 0.433 4.983 4.550 0.000 0.000 0.252 173 Y C 1.600 177.558 175.900 0.097 0.000 1.091 173 Y CA -0.121 58.050 58.100 0.118 0.000 1.276 173 Y CB 0.160 38.683 38.460 0.105 0.000 1.170 173 Y HN 0.040 nan 8.280 nan 0.000 0.517 174 G N 0.879 109.886 108.800 0.345 0.000 2.502 174 G HA2 0.603 4.563 3.960 0.000 0.000 0.305 174 G HA3 0.603 4.563 3.960 0.000 0.000 0.305 174 G C -0.424 174.563 174.900 0.144 0.000 1.190 174 G CA -0.500 44.641 45.100 0.069 0.000 0.933 174 G HN 0.170 nan 8.290 nan 0.000 0.503 175 I N -2.521 117.984 120.570 -0.109 0.000 3.294 175 I HA 0.916 5.086 4.170 0.000 0.000 0.311 175 I C 0.146 176.198 176.117 -0.108 0.000 1.111 175 I CA -0.987 60.309 61.300 -0.007 0.000 0.976 175 I CB 2.343 40.311 38.000 -0.053 0.000 1.260 175 I HN 0.694 nan 8.210 nan 0.000 0.474 176 T N -2.105 112.415 114.554 -0.056 0.000 2.693 176 T HA 0.339 4.689 4.350 0.000 0.000 0.278 176 T C 0.790 175.430 174.700 -0.100 0.000 0.994 176 T CA 0.046 62.087 62.100 -0.100 0.000 1.033 176 T CB 0.996 69.809 68.868 -0.093 0.000 1.342 176 T HN 0.792 nan 8.240 nan 0.000 0.538 177 S N -0.209 115.437 115.700 -0.090 0.000 2.474 177 S HA -0.070 4.400 4.470 0.000 0.000 0.235 177 S C 1.134 175.694 174.600 -0.067 0.000 0.997 177 S CA 0.925 59.036 58.200 -0.147 0.000 0.949 177 S CB -0.748 62.461 63.200 0.014 0.000 0.766 177 S HN 0.680 nan 8.310 nan 0.000 0.517 178 D N 2.189 122.609 120.400 0.034 0.000 2.144 178 D HA -0.056 4.584 4.640 0.000 0.000 0.199 178 D C 1.451 177.820 176.300 0.115 0.000 0.984 178 D CA 1.166 55.216 54.000 0.084 0.000 0.834 178 D CB -0.288 40.697 40.800 0.307 0.000 0.955 178 D HN 0.431 nan 8.370 nan 0.000 0.465 179 D N 0.068 120.522 120.400 0.090 0.000 2.201 179 D HA -0.021 4.619 4.640 0.000 0.000 0.209 179 D C 2.305 178.627 176.300 0.037 0.000 0.961 179 D CA -0.108 53.952 54.000 0.099 0.000 0.861 179 D CB -0.094 40.762 40.800 0.093 0.000 0.997 179 D HN 0.136 nan 8.370 nan 0.000 0.486 180 L N 0.441 121.596 121.223 -0.112 0.000 2.021 180 L HA -0.223 4.117 4.340 0.000 0.000 0.215 180 L C 1.941 178.772 176.870 -0.064 0.000 1.074 180 L CA 1.545 56.282 54.840 -0.172 0.000 0.760 180 L CB -0.320 41.444 42.059 -0.492 0.000 0.889 180 L HN -0.027 nan 8.230 nan 0.000 0.433 181 F N -0.513 119.508 119.950 0.119 0.000 2.771 181 F HA -0.056 4.471 4.527 0.000 0.000 0.299 181 F C 1.988 177.769 175.800 -0.031 0.000 1.177 181 F CA 0.662 58.673 58.000 0.020 0.000 1.450 181 F CB -0.459 38.503 39.000 -0.064 0.000 1.114 181 F HN 0.175 nan 8.300 nan 0.000 0.587 182 S N -1.105 114.697 115.700 0.171 0.000 2.855 182 S HA 0.273 4.743 4.470 0.000 0.000 0.249 182 S C 0.025 174.733 174.600 0.181 0.000 1.033 182 S CA -0.486 57.788 58.200 0.122 0.000 1.038 182 S CB -0.643 62.632 63.200 0.125 0.000 0.960 182 S HN 0.125 nan 8.310 nan 0.000 0.548 183 L N 2.395 123.791 121.223 0.288 0.000 2.584 183 L HA 0.055 4.395 4.340 0.000 0.000 0.272 183 L C 0.957 178.065 176.870 0.397 0.000 1.195 183 L CA 0.211 55.247 54.840 0.327 0.000 0.920 183 L CB 0.442 42.712 42.059 0.350 0.000 1.173 183 L HN 0.233 nan 8.230 nan 0.000 0.489 184 D N 2.435 122.997 120.400 0.269 0.000 2.117 184 D HA -0.111 4.529 4.640 0.000 0.000 0.197 184 D C 0.801 177.328 176.300 0.379 0.000 0.987 184 D CA 1.251 55.414 54.000 0.271 0.000 0.829 184 D CB 0.198 41.092 40.800 0.157 0.000 0.961 184 D HN 0.536 nan 8.370 nan 0.000 0.460 185 R N 0.656 121.309 120.500 0.255 0.000 2.528 185 R HA 0.463 4.803 4.340 0.000 0.000 0.271 185 R C 0.029 176.317 176.300 -0.019 0.000 1.056 185 R CA -0.576 55.630 56.100 0.176 0.000 1.117 185 R CB 0.746 31.077 30.300 0.051 0.000 1.085 185 R HN -0.114 nan 8.270 nan 0.000 0.530 186 E N 1.764 121.842 120.200 -0.203 0.000 2.392 186 E HA 0.007 4.357 4.350 0.000 0.000 0.264 186 E C -1.663 174.441 176.600 -0.826 0.000 1.024 186 E CA -1.625 54.330 56.400 -0.741 0.000 0.903 186 E CB 0.780 30.239 29.700 -0.401 0.000 0.963 186 E HN 0.490 nan 8.360 nan 0.000 0.432 187 P HA -0.165 nan 4.420 nan 0.000 0.215 187 P C 0.503 177.377 177.300 -0.710 0.000 1.157 187 P CA 1.500 63.998 63.100 -1.004 0.000 0.868 187 P CB 0.074 31.020 31.700 -1.257 0.000 0.788 188 G N -0.817 107.471 108.800 -0.852 0.000 2.598 188 G HA2 -0.301 3.659 3.960 0.000 0.000 0.244 188 G HA3 -0.301 3.659 3.960 0.000 0.000 0.244 188 G C -0.399 174.439 174.900 -0.103 0.000 1.302 188 G CA -0.235 44.722 45.100 -0.238 0.000 0.903 188 G HN 0.463 nan 8.290 nan 0.000 0.575 189 K N 0.934 121.322 120.400 -0.020 0.000 2.419 189 K HA 0.409 4.729 4.320 0.000 0.000 0.282 189 K C 0.283 176.905 176.600 0.038 0.000 1.056 189 K CA 0.981 57.280 56.287 0.021 0.000 1.035 189 K CB -0.125 32.379 32.500 0.006 0.000 0.921 189 K HN 0.888 nan 8.250 nan 0.000 0.472 190 T N 3.855 118.414 114.554 0.009 0.000 2.861 190 T HA 0.380 4.730 4.350 0.000 0.000 0.287 190 T C -1.288 173.273 174.700 -0.232 0.000 1.003 190 T CA -1.055 60.969 62.100 -0.126 0.000 0.977 190 T CB 1.056 69.772 68.868 -0.255 0.000 0.996 190 T HN 0.427 nan 8.240 nan 0.000 0.448 191 L N 5.569 126.477 121.223 -0.525 0.000 2.282 191 L HA 0.731 5.071 4.340 0.000 0.000 0.288 191 L C -1.031 175.510 176.870 -0.547 0.000 1.033 191 L CA -0.401 53.989 54.840 -0.751 0.000 0.807 191 L CB 1.339 42.583 42.059 -1.359 0.000 1.209 191 L HN 0.563 nan 8.230 nan 0.000 0.423 192 V N 6.425 126.079 119.914 -0.434 0.000 2.313 192 V HA 0.316 4.436 4.120 0.000 0.000 0.278 192 V C -0.216 175.704 176.094 -0.290 0.000 1.017 192 V CA -0.683 61.404 62.300 -0.356 0.000 0.823 192 V CB 1.448 33.075 31.823 -0.327 0.000 1.010 192 V HN 0.517 nan 8.190 nan 0.000 0.443 193 V N 4.819 124.608 119.914 -0.209 0.000 2.372 193 V HA 0.814 4.934 4.120 0.000 0.000 0.261 193 V C 0.752 176.831 176.094 -0.025 0.000 1.055 193 V CA 0.484 62.752 62.300 -0.054 0.000 0.930 193 V CB 0.352 32.300 31.823 0.208 0.000 1.031 193 V HN 1.173 nan 8.190 nan 0.000 0.479 194 G N 3.929 112.693 108.800 -0.060 0.000 2.653 194 G HA2 0.422 4.382 3.960 0.000 0.000 0.656 194 G HA3 0.422 4.382 3.960 0.000 0.000 0.656 194 G C -0.373 174.487 174.900 -0.065 0.000 1.419 194 G CA -0.212 44.862 45.100 -0.043 0.000 0.862 194 G HN 1.217 nan 8.290 nan 0.000 0.639 195 A N 0.910 123.716 122.820 -0.023 0.000 2.616 195 A HA 0.791 5.111 4.320 0.000 0.000 0.294 195 A C 1.205 178.803 177.584 0.023 0.000 1.091 195 A CA 1.076 53.117 52.037 0.008 0.000 0.971 195 A CB -0.051 18.994 19.000 0.075 0.000 1.222 195 A HN 2.106 nan 8.150 nan 0.000 0.521 196 G N -1.226 107.569 108.800 -0.009 0.000 2.621 196 G HA2 0.313 4.273 3.960 0.000 0.000 0.271 196 G HA3 0.313 4.273 3.960 0.000 0.000 0.271 196 G C 0.707 175.583 174.900 -0.039 0.000 1.236 196 G CA 0.091 45.188 45.100 -0.005 0.000 0.958 196 G HN 0.702 nan 8.290 nan 0.000 0.512 197 Y N -1.243 119.086 120.300 0.049 0.000 2.274 197 Y HA -0.076 4.474 4.550 0.000 0.000 0.290 197 Y C 2.269 178.202 175.900 0.055 0.000 1.145 197 Y CA 1.191 59.303 58.100 0.020 0.000 1.203 197 Y CB -0.452 38.036 38.460 0.047 0.000 0.984 197 Y HN 0.231 nan 8.280 nan 0.000 0.533 198 I N 1.325 121.668 120.570 -0.379 0.000 2.142 198 I HA -0.198 3.972 4.170 0.000 0.000 0.240 198 I C 2.855 178.929 176.117 -0.072 0.000 1.078 198 I CA 1.530 62.738 61.300 -0.153 0.000 1.343 198 I CB -0.993 36.858 38.000 -0.248 0.000 1.046 198 I HN 0.465 nan 8.210 nan 0.000 0.405 199 G N 1.131 109.860 108.800 -0.118 0.000 2.421 199 G HA2 -0.209 3.751 3.960 0.000 0.000 0.216 199 G HA3 -0.209 3.751 3.960 0.000 0.000 0.216 199 G C 1.546 176.363 174.900 -0.138 0.000 1.171 199 G CA 0.496 45.514 45.100 -0.136 0.000 0.775 199 G HN 0.112 nan 8.290 nan 0.000 0.543 200 L N 0.979 122.161 121.223 -0.069 0.000 2.012 200 L HA -0.055 4.285 4.340 0.000 0.000 0.210 200 L C 2.772 179.625 176.870 -0.027 0.000 1.073 200 L CA 1.635 56.456 54.840 -0.031 0.000 0.748 200 L CB -1.247 40.836 42.059 0.040 0.000 0.891 200 L HN 0.384 nan 8.230 nan 0.000 0.431 201 E N -1.476 118.745 120.200 0.035 0.000 2.077 201 E HA -0.218 4.132 4.350 0.000 0.000 0.193 201 E C 2.315 178.831 176.600 -0.141 0.000 0.989 201 E CA 1.584 58.038 56.400 0.090 0.000 0.800 201 E CB -0.266 29.592 29.700 0.264 0.000 0.746 201 E HN 0.495 nan 8.360 nan 0.000 0.452 202 C N 0.974 120.076 119.300 -0.330 0.000 2.413 202 C HA -0.176 4.284 4.460 0.000 0.000 0.278 202 C C 2.980 177.477 174.990 -0.822 0.000 1.224 202 C CA 0.997 59.492 59.018 -0.871 0.000 1.732 202 C CB -1.152 26.312 27.740 -0.461 0.000 2.050 202 C HN 0.556 nan 8.230 nan 0.000 0.463 203 A N 0.891 123.451 122.820 -0.433 0.000 1.873 203 A HA -0.050 4.270 4.320 0.000 0.000 0.218 203 A C 2.412 179.863 177.584 -0.220 0.000 1.193 203 A CA 2.507 54.358 52.037 -0.310 0.000 0.629 203 A CB -1.504 17.331 19.000 -0.275 0.000 0.826 203 A HN 0.607 nan 8.150 nan 0.000 0.447 204 G N -0.133 108.582 108.800 -0.142 0.000 2.491 204 G HA2 -0.270 3.690 3.960 0.000 0.000 0.218 204 G HA3 -0.270 3.690 3.960 0.000 0.000 0.218 204 G C 1.369 176.342 174.900 0.121 0.000 1.180 204 G CA 1.539 46.654 45.100 0.025 0.000 0.774 204 G HN 0.891 nan 8.290 nan 0.000 0.562 205 F N 0.665 120.725 119.950 0.184 0.000 2.456 205 F HA 0.338 4.865 4.527 0.000 0.000 0.298 205 F C 2.117 178.037 175.800 0.199 0.000 1.104 205 F CA 0.009 58.137 58.000 0.213 0.000 1.435 205 F CB -0.639 38.519 39.000 0.262 0.000 1.078 205 F HN 0.066 nan 8.300 nan 0.000 0.546 206 L N 0.494 121.756 121.223 0.064 0.000 2.042 206 L HA -0.172 4.168 4.340 0.000 0.000 0.210 206 L C 2.818 179.801 176.870 0.189 0.000 1.076 206 L CA 1.575 56.528 54.840 0.188 0.000 0.749 206 L CB -0.802 41.234 42.059 -0.038 0.000 0.893 206 L HN 0.109 nan 8.230 nan 0.000 0.432 207 K N 0.258 120.714 120.400 0.093 0.000 2.097 207 K HA -0.108 4.212 4.320 0.000 0.000 0.205 207 K C 2.007 178.659 176.600 0.086 0.000 1.050 207 K CA 1.386 57.714 56.287 0.069 0.000 0.938 207 K CB -0.302 32.223 32.500 0.043 0.000 0.718 207 K HN 0.397 nan 8.250 nan 0.000 0.442 208 G N 0.598 109.485 108.800 0.144 0.000 2.471 208 G HA2 -0.132 3.828 3.960 0.000 0.000 0.219 208 G HA3 -0.132 3.828 3.960 0.000 0.000 0.219 208 G C 1.256 176.233 174.900 0.127 0.000 1.125 208 G CA 0.200 45.387 45.100 0.145 0.000 0.775 208 G HN 0.204 nan 8.290 nan 0.000 0.548 209 L N 0.042 121.360 121.223 0.158 0.000 2.653 209 L HA 0.343 4.683 4.340 0.000 0.000 0.231 209 L C 1.792 178.550 176.870 -0.187 0.000 1.153 209 L CA 0.388 55.290 54.840 0.104 0.000 0.933 209 L CB 0.343 42.607 42.059 0.341 0.000 1.175 209 L HN 0.301 nan 8.230 nan 0.000 0.473 210 G N -1.318 107.367 108.800 -0.191 0.000 2.159 210 G HA2 -0.292 3.668 3.960 0.000 0.000 0.227 210 G HA3 -0.292 3.668 3.960 0.000 0.000 0.227 210 G C 0.045 174.668 174.900 -0.461 0.000 0.986 210 G CA -0.338 44.566 45.100 -0.326 0.000 0.651 210 G HN 0.277 nan 8.290 nan 0.000 0.523 211 Y N 0.056 120.351 120.300 -0.009 0.000 2.436 211 Y HA 0.667 5.217 4.550 0.000 0.000 0.336 211 Y C 0.765 176.637 175.900 -0.048 0.000 1.318 211 Y CA -0.740 57.327 58.100 -0.056 0.000 1.493 211 Y CB 0.728 39.120 38.460 -0.113 0.000 1.547 211 Y HN -0.067 nan 8.280 nan 0.000 0.549 212 E N 2.230 122.510 120.200 0.135 0.000 2.795 212 E HA 0.257 4.607 4.350 0.000 0.000 0.226 212 E C -2.771 173.840 176.600 0.018 0.000 1.088 212 E CA -2.044 54.385 56.400 0.049 0.000 0.812 212 E CB 0.736 30.457 29.700 0.034 0.000 1.328 212 E HN 0.300 nan 8.360 nan 0.000 0.410 213 P HA 0.275 nan 4.420 nan 0.000 0.279 213 P C -0.332 176.904 177.300 -0.106 0.000 1.252 213 P CA -0.313 62.728 63.100 -0.099 0.000 0.811 213 P CB 1.540 33.145 31.700 -0.157 0.000 1.035 214 T N 0.604 115.063 114.554 -0.158 0.000 2.886 214 T HA 0.330 4.680 4.350 0.000 0.000 0.292 214 T C -0.498 173.988 174.700 -0.357 0.000 1.012 214 T CA -0.422 61.557 62.100 -0.203 0.000 0.982 214 T CB 1.256 70.084 68.868 -0.066 0.000 1.018 214 T HN 0.072 nan 8.240 nan 0.000 0.451 215 V N 4.013 123.599 119.914 -0.546 0.000 2.394 215 V HA 0.466 4.586 4.120 0.000 0.000 0.282 215 V C 0.020 175.854 176.094 -0.432 0.000 1.031 215 V CA -0.705 61.226 62.300 -0.615 0.000 0.881 215 V CB 1.448 32.617 31.823 -1.090 0.000 0.982 215 V HN 0.847 nan 8.190 nan 0.000 0.451 216 M N 6.222 125.644 119.600 -0.297 0.000 2.129 216 M HA 0.550 5.030 4.480 0.000 0.000 0.348 216 M C -1.371 174.874 176.300 -0.091 0.000 1.116 216 M CA -0.419 54.765 55.300 -0.193 0.000 1.022 216 M CB 1.198 33.675 32.600 -0.205 0.000 1.599 216 M HN 0.464 nan 8.290 nan 0.000 0.449 217 V N 6.190 126.091 119.914 -0.021 0.000 2.378 217 V HA 0.331 4.451 4.120 0.000 0.000 0.288 217 V C 0.869 176.982 176.094 0.032 0.000 1.016 217 V CA -0.671 61.648 62.300 0.032 0.000 0.840 217 V CB 1.096 32.980 31.823 0.102 0.000 0.994 217 V HN 1.008 nan 8.190 nan 0.000 0.431 218 R N 3.325 123.842 120.500 0.027 0.000 2.083 218 R HA -0.149 4.191 4.340 0.000 0.000 0.237 218 R C 1.653 177.975 176.300 0.037 0.000 1.137 218 R CA 2.465 58.584 56.100 0.032 0.000 0.951 218 R CB 0.214 30.530 30.300 0.027 0.000 0.851 218 R HN 0.880 nan 8.270 nan 0.000 0.434 219 S N -0.671 115.052 115.700 0.039 0.000 4.238 219 S HA 0.229 4.699 4.470 0.000 0.000 0.167 219 S C 0.796 175.421 174.600 0.042 0.000 0.921 219 S CA -0.270 57.953 58.200 0.038 0.000 1.128 219 S CB -0.304 62.917 63.200 0.035 0.000 1.636 219 S HN 0.347 nan 8.310 nan 0.000 0.753 220 I N 0.595 121.193 120.570 0.047 0.000 2.947 220 I HA 0.849 5.019 4.170 0.000 0.000 0.314 220 I C -0.916 175.239 176.117 0.063 0.000 1.028 220 I CA -1.411 59.919 61.300 0.050 0.000 1.077 220 I CB 1.786 39.816 38.000 0.051 0.000 1.274 220 I HN 0.179 nan 8.210 nan 0.000 0.485 221 V N 3.741 123.690 119.914 0.058 0.000 2.509 221 V HA 0.252 4.372 4.120 0.000 0.000 0.284 221 V C 0.590 176.730 176.094 0.077 0.000 1.047 221 V CA -0.742 61.598 62.300 0.067 0.000 0.952 221 V CB 1.043 32.888 31.823 0.037 0.000 0.988 221 V HN 0.766 nan 8.190 nan 0.000 0.469 222 L N 2.901 124.175 121.223 0.084 0.000 3.879 222 L HA -0.187 4.153 4.340 0.000 0.000 0.481 222 L C 1.045 178.107 176.870 0.319 0.000 1.232 222 L CA 0.238 55.162 54.840 0.140 0.000 0.736 222 L CB -1.081 40.927 42.059 -0.086 0.000 1.511 222 L HN 0.779 nan 8.230 nan 0.000 0.830 223 R N 0.970 121.611 120.500 0.236 0.000 2.566 223 R HA 0.178 4.518 4.340 0.000 0.000 0.273 223 R C 1.490 177.956 176.300 0.276 0.000 0.981 223 R CA 1.426 57.651 56.100 0.208 0.000 1.091 223 R CB 0.237 30.616 30.300 0.131 0.000 0.924 223 R HN 0.548 nan 8.270 nan 0.000 0.411 224 G N 2.844 111.752 108.800 0.180 0.000 2.241 224 G HA2 -0.300 3.660 3.960 0.000 0.000 0.244 224 G HA3 -0.300 3.660 3.960 0.000 0.000 0.244 224 G C -0.062 174.858 174.900 0.033 0.000 0.998 224 G CA 0.120 45.258 45.100 0.063 0.000 0.621 224 G HN 0.518 nan 8.290 nan 0.000 0.519 225 F N 1.380 121.419 119.950 0.148 0.000 2.440 225 F HA 0.493 5.020 4.527 0.000 0.000 0.328 225 F C 0.757 176.665 175.800 0.180 0.000 1.070 225 F CA -0.691 57.439 58.000 0.216 0.000 1.011 225 F CB 0.850 40.035 39.000 0.309 0.000 1.226 225 F HN -0.023 nan 8.300 nan 0.000 0.491 226 D N 2.167 122.815 120.400 0.414 0.000 2.570 226 D HA -0.108 4.532 4.640 0.000 0.000 0.243 226 D C 0.755 177.138 176.300 0.138 0.000 1.171 226 D CA 0.313 54.435 54.000 0.204 0.000 0.879 226 D CB 0.945 41.787 40.800 0.070 0.000 1.143 226 D HN 0.492 nan 8.370 nan 0.000 0.511 227 Q N 3.130 122.978 119.800 0.080 0.000 2.172 227 Q HA -0.178 4.162 4.340 0.000 0.000 0.200 227 Q C 1.730 177.722 176.000 -0.014 0.000 0.964 227 Q CA 0.816 56.644 55.803 0.042 0.000 0.855 227 Q CB -0.158 28.605 28.738 0.041 0.000 0.918 227 Q HN 0.725 nan 8.270 nan 0.000 0.444 228 Q N -0.244 119.541 119.800 -0.026 0.000 2.096 228 Q HA -0.163 4.177 4.340 0.000 0.000 0.204 228 Q C 1.802 177.745 176.000 -0.096 0.000 0.982 228 Q CA 1.214 56.985 55.803 -0.053 0.000 0.850 228 Q CB 0.138 28.858 28.738 -0.030 0.000 0.901 228 Q HN 0.221 nan 8.270 nan 0.000 0.422 229 M N 0.021 119.551 119.600 -0.116 0.000 2.132 229 M HA -0.064 4.416 4.480 0.000 0.000 0.263 229 M C 2.361 178.445 176.300 -0.360 0.000 1.065 229 M CA 1.437 56.562 55.300 -0.292 0.000 1.122 229 M CB -1.538 30.799 32.600 -0.437 0.000 1.365 229 M HN 0.345 nan 8.290 nan 0.000 0.411 230 A N 0.452 123.148 122.820 -0.207 0.000 1.903 230 A HA -0.205 4.115 4.320 0.000 0.000 0.219 230 A C 2.147 179.638 177.584 -0.155 0.000 1.191 230 A CA 1.888 53.842 52.037 -0.138 0.000 0.638 230 A CB -0.618 18.367 19.000 -0.025 0.000 0.823 230 A HN 0.475 nan 8.150 nan 0.000 0.451 231 E N -0.334 119.783 120.200 -0.139 0.000 2.112 231 E HA -0.035 4.315 4.350 0.000 0.000 0.190 231 E C 2.098 178.583 176.600 -0.192 0.000 0.979 231 E CA 0.671 56.977 56.400 -0.156 0.000 0.814 231 E CB -0.382 29.253 29.700 -0.109 0.000 0.762 231 E HN 0.694 nan 8.360 nan 0.000 0.460 232 L N 0.424 121.550 121.223 -0.161 0.000 2.083 232 L HA -0.161 4.179 4.340 0.000 0.000 0.209 232 L C 2.498 179.200 176.870 -0.280 0.000 1.083 232 L CA 0.725 55.487 54.840 -0.130 0.000 0.752 232 L CB -0.487 41.544 42.059 -0.047 0.000 0.899 232 L HN -0.018 nan 8.230 nan 0.000 0.433 233 V N 0.012 119.780 119.914 -0.244 0.000 2.307 233 V HA -0.284 3.836 4.120 0.000 0.000 0.245 233 V C 2.780 178.734 176.094 -0.234 0.000 1.045 233 V CA 1.807 63.987 62.300 -0.199 0.000 1.024 233 V CB -0.922 30.822 31.823 -0.132 0.000 0.651 233 V HN 0.477 nan 8.190 nan 0.000 0.449 234 A N 0.117 122.770 122.820 -0.278 0.000 1.883 234 A HA -0.198 4.122 4.320 0.000 0.000 0.217 234 A C 2.412 179.631 177.584 -0.607 0.000 1.186 234 A CA 2.454 54.190 52.037 -0.502 0.000 0.624 234 A CB -0.887 17.732 19.000 -0.635 0.000 0.822 234 A HN 0.596 nan 8.150 nan 0.000 0.444 235 A N -0.016 122.474 122.820 -0.550 0.000 1.930 235 A HA -0.060 4.260 4.320 0.000 0.000 0.217 235 A C 2.503 179.625 177.584 -0.770 0.000 1.175 235 A CA 2.237 53.934 52.037 -0.565 0.000 0.627 235 A CB -0.967 17.789 19.000 -0.406 0.000 0.815 235 A HN 1.091 nan 8.150 nan 0.000 0.443 236 S N -0.569 114.486 115.700 -1.075 0.000 2.419 236 S HA -0.152 4.318 4.470 0.000 0.000 0.233 236 S C 1.975 176.422 174.600 -0.255 0.000 1.016 236 S CA 1.656 59.391 58.200 -0.775 0.000 0.974 236 S CB -0.537 62.343 63.200 -0.535 0.000 0.786 236 S HN 0.523 nan 8.310 nan 0.000 0.492 237 M N 0.947 120.448 119.600 -0.166 0.000 2.160 237 M HA 0.025 4.505 4.480 0.000 0.000 0.264 237 M C 2.402 178.755 176.300 0.088 0.000 1.073 237 M CA 1.432 56.761 55.300 0.048 0.000 1.142 237 M CB -0.447 32.293 32.600 0.233 0.000 1.358 237 M HN 0.383 nan 8.290 nan 0.000 0.422 238 E N 0.470 120.694 120.200 0.041 0.000 2.097 238 E HA -0.273 4.077 4.350 0.000 0.000 0.196 238 E C 1.865 178.473 176.600 0.012 0.000 1.000 238 E CA 1.399 57.820 56.400 0.036 0.000 0.804 238 E CB -0.259 29.399 29.700 -0.069 0.000 0.740 238 E HN 0.505 nan 8.360 nan 0.000 0.454 239 E N 0.844 121.030 120.200 -0.024 0.000 2.118 239 E HA -0.197 4.153 4.350 0.000 0.000 0.195 239 E C 1.653 178.277 176.600 0.039 0.000 0.992 239 E CA 0.832 57.257 56.400 0.041 0.000 0.804 239 E CB 0.070 29.841 29.700 0.118 0.000 0.741 239 E HN 0.110 nan 8.360 nan 0.000 0.458 240 R N -0.983 119.537 120.500 0.033 0.000 2.328 240 R HA 0.041 4.381 4.340 0.000 0.000 0.200 240 R C 0.932 177.254 176.300 0.036 0.000 0.983 240 R CA 0.475 56.598 56.100 0.038 0.000 1.062 240 R CB 0.226 30.555 30.300 0.049 0.000 0.956 240 R HN 0.290 nan 8.270 nan 0.000 0.479 241 G N 1.326 110.149 108.800 0.039 0.000 2.160 241 G HA2 -0.268 3.692 3.960 0.000 0.000 0.244 241 G HA3 -0.268 3.692 3.960 0.000 0.000 0.244 241 G C 0.056 174.982 174.900 0.044 0.000 1.022 241 G CA -0.264 44.857 45.100 0.036 0.000 0.741 241 G HN 0.287 nan 8.290 nan 0.000 0.508 242 I N 2.496 123.110 120.570 0.074 0.000 2.291 242 I HA 0.279 4.449 4.170 0.000 0.000 0.290 242 I C -1.668 174.529 176.117 0.133 0.000 1.050 242 I CA -2.338 58.998 61.300 0.060 0.000 1.245 242 I CB 1.327 39.354 38.000 0.045 0.000 1.405 242 I HN -0.073 nan 8.210 nan 0.000 0.478 243 P HA 0.218 nan 4.420 nan 0.000 0.274 243 P C -0.989 176.364 177.300 0.089 0.000 1.231 243 P CA 0.044 63.223 63.100 0.132 0.000 0.790 243 P CB 0.648 32.386 31.700 0.063 0.000 0.951 244 F N 0.385 120.309 119.950 -0.043 0.000 2.532 244 F HA 0.422 4.949 4.527 0.000 0.000 0.321 244 F C 0.341 176.109 175.800 -0.053 0.000 1.089 244 F CA -0.921 57.045 58.000 -0.057 0.000 0.926 244 F CB 1.745 40.713 39.000 -0.054 0.000 1.168 244 F HN -0.048 nan 8.300 nan 0.000 0.459 245 L N 4.597 125.848 121.223 0.046 0.000 2.335 245 L HA 0.463 4.803 4.340 0.000 0.000 0.268 245 L C -0.104 176.789 176.870 0.040 0.000 1.037 245 L CA -0.437 54.400 54.840 -0.005 0.000 0.895 245 L CB 0.716 42.665 42.059 -0.184 0.000 1.266 245 L HN 0.559 nan 8.230 nan 0.000 0.439 246 R N 3.144 123.695 120.500 0.086 0.000 2.539 246 R HA 0.235 4.575 4.340 0.000 0.000 0.275 246 R C 0.165 176.502 176.300 0.060 0.000 1.077 246 R CA -0.699 55.449 56.100 0.080 0.000 1.097 246 R CB 0.496 30.835 30.300 0.065 0.000 1.018 246 R HN 0.252 nan 8.270 nan 0.000 0.483 247 K N 0.727 121.160 120.400 0.054 0.000 3.278 247 K HA -0.180 4.140 4.320 0.000 0.000 0.270 247 K C -1.009 175.628 176.600 0.061 0.000 0.955 247 K CA 1.103 57.420 56.287 0.050 0.000 0.723 247 K CB -1.687 30.841 32.500 0.046 0.000 1.382 247 K HN 0.740 nan 8.250 nan 0.000 0.461 248 T N -0.722 113.865 114.554 0.056 0.000 2.933 248 T HA 0.580 4.930 4.350 0.000 0.000 0.305 248 T C -0.712 174.022 174.700 0.058 0.000 1.092 248 T CA -0.600 61.545 62.100 0.075 0.000 1.008 248 T CB 2.827 71.726 68.868 0.052 0.000 1.102 248 T HN -0.008 nan 8.240 nan 0.000 0.469 249 V N 4.673 124.644 119.914 0.096 0.000 2.709 249 V HA 0.573 4.693 4.120 0.000 0.000 0.308 249 V C -2.299 173.877 176.094 0.137 0.000 1.062 249 V CA -2.280 60.071 62.300 0.084 0.000 0.901 249 V CB 2.670 34.531 31.823 0.063 0.000 1.003 249 V HN 0.697 nan 8.190 nan 0.000 0.425 250 P HA 0.152 nan 4.420 nan 0.000 0.276 250 P C -0.117 177.266 177.300 0.138 0.000 1.230 250 P CA -0.054 63.162 63.100 0.194 0.000 0.776 250 P CB 1.686 33.539 31.700 0.256 0.000 0.888 251 L N 2.085 123.406 121.223 0.163 0.000 2.269 251 L HA 0.182 4.522 4.340 0.000 0.000 0.200 251 L C 1.180 178.114 176.870 0.107 0.000 1.069 251 L CA 1.556 56.462 54.840 0.109 0.000 0.804 251 L CB -0.820 41.297 42.059 0.097 0.000 0.987 251 L HN 0.674 nan 8.230 nan 0.000 0.468 252 S N -2.122 113.672 115.700 0.156 0.000 2.597 252 S HA 0.539 5.009 4.470 0.000 0.000 0.274 252 S C -1.332 173.405 174.600 0.229 0.000 1.132 252 S CA -0.533 57.769 58.200 0.170 0.000 0.835 252 S CB 1.394 64.668 63.200 0.123 0.000 1.092 252 S HN 0.049 nan 8.310 nan 0.000 0.457 253 V N 0.913 120.989 119.914 0.270 0.000 2.638 253 V HA 0.871 4.991 4.120 0.000 0.000 0.306 253 V C -1.692 174.545 176.094 0.239 0.000 1.052 253 V CA -0.228 62.229 62.300 0.261 0.000 0.885 253 V CB 1.733 33.743 31.823 0.313 0.000 0.999 253 V HN 1.031 nan 8.190 nan 0.000 0.424 254 E N 4.256 124.481 120.200 0.043 0.000 2.288 254 E HA 0.443 4.793 4.350 0.000 0.000 0.268 254 E C -1.336 175.032 176.600 -0.386 0.000 0.885 254 E CA -0.853 55.483 56.400 -0.107 0.000 0.767 254 E CB 2.601 32.297 29.700 -0.007 0.000 1.220 254 E HN 0.680 nan 8.360 nan 0.000 0.427 255 K N 1.970 121.967 120.400 -0.671 0.000 2.227 255 K HA 0.189 4.509 4.320 0.000 0.000 0.280 255 K C -0.135 176.336 176.600 -0.216 0.000 1.041 255 K CA -0.168 55.816 56.287 -0.504 0.000 0.905 255 K CB 0.879 33.016 32.500 -0.604 0.000 1.068 255 K HN 0.411 nan 8.250 nan 0.000 0.470 256 Q N 1.739 121.452 119.800 -0.145 0.000 2.318 256 Q HA 0.015 4.355 4.340 0.000 0.000 0.222 256 Q C 0.396 176.359 176.000 -0.062 0.000 1.003 256 Q CA -0.599 55.155 55.803 -0.082 0.000 0.936 256 Q CB 0.790 29.490 28.738 -0.064 0.000 1.204 256 Q HN 0.550 nan 8.270 nan 0.000 0.524 257 D N 1.091 121.467 120.400 -0.040 0.000 2.158 257 D HA -0.175 4.465 4.640 0.000 0.000 0.197 257 D C 0.896 177.181 176.300 -0.025 0.000 0.995 257 D CA 1.486 55.471 54.000 -0.026 0.000 0.846 257 D CB -0.143 40.647 40.800 -0.018 0.000 0.941 257 D HN 0.558 nan 8.370 nan 0.000 0.456 258 D N -1.411 118.971 120.400 -0.030 0.000 2.336 258 D HA 0.141 4.781 4.640 0.000 0.000 0.229 258 D C 1.509 177.791 176.300 -0.030 0.000 1.061 258 D CA 0.703 54.687 54.000 -0.026 0.000 0.875 258 D CB -0.210 40.574 40.800 -0.026 0.000 0.904 258 D HN 0.219 nan 8.370 nan 0.000 0.525 259 G N -0.108 108.667 108.800 -0.041 0.000 2.179 259 G HA2 -0.296 3.664 3.960 0.000 0.000 0.260 259 G HA3 -0.296 3.664 3.960 0.000 0.000 0.260 259 G C 0.281 175.146 174.900 -0.058 0.000 0.977 259 G CA 0.097 45.170 45.100 -0.044 0.000 0.641 259 G HN 0.331 nan 8.290 nan 0.000 0.533 260 K N 0.265 120.630 120.400 -0.059 0.000 2.319 260 K HA 0.450 4.770 4.320 0.000 0.000 0.265 260 K C 0.768 177.321 176.600 -0.079 0.000 1.000 260 K CA -0.237 56.014 56.287 -0.060 0.000 0.943 260 K CB 0.674 33.141 32.500 -0.056 0.000 0.950 260 K HN 0.324 nan 8.250 nan 0.000 0.485 261 L N 3.284 124.478 121.223 -0.049 0.000 2.257 261 L HA 0.257 4.597 4.340 0.000 0.000 0.290 261 L C -0.142 176.745 176.870 0.029 0.000 1.044 261 L CA -1.044 53.769 54.840 -0.044 0.000 0.810 261 L CB 0.702 42.754 42.059 -0.012 0.000 1.193 261 L HN 0.271 nan 8.230 nan 0.000 0.425 262 L N 5.728 126.953 121.223 0.003 0.000 2.257 262 L HA 0.451 4.791 4.340 0.000 0.000 0.290 262 L C -0.486 176.453 176.870 0.115 0.000 1.044 262 L CA -0.061 54.809 54.840 0.049 0.000 0.810 262 L CB 1.419 43.480 42.059 0.004 0.000 1.193 262 L HN 0.243 nan 8.230 nan 0.000 0.425 263 V N 5.638 125.680 119.914 0.212 0.000 2.409 263 V HA 0.423 4.543 4.120 0.000 0.000 0.291 263 V C -0.156 176.091 176.094 0.255 0.000 1.020 263 V CA -0.868 61.591 62.300 0.265 0.000 0.848 263 V CB 1.303 33.324 31.823 0.330 0.000 0.990 263 V HN 0.788 nan 8.190 nan 0.000 0.430 264 K N 4.984 125.487 120.400 0.172 0.000 2.143 264 K HA 0.712 5.032 4.320 0.000 0.000 0.272 264 K C -1.050 175.652 176.600 0.171 0.000 1.001 264 K CA -0.537 55.792 56.287 0.070 0.000 0.915 264 K CB 1.457 33.969 32.500 0.019 0.000 1.047 264 K HN 0.697 nan 8.250 nan 0.000 0.458 265 Y N -1.159 119.188 120.300 0.078 0.000 2.615 265 Y HA 0.577 5.127 4.550 0.000 0.000 0.341 265 Y C -1.556 174.376 175.900 0.054 0.000 1.089 265 Y CA -1.381 56.761 58.100 0.072 0.000 1.049 265 Y CB 1.808 40.315 38.460 0.080 0.000 1.296 265 Y HN 0.684 nan 8.280 nan 0.000 0.470 266 K N 1.924 122.490 120.400 0.277 0.000 2.507 266 K HA 0.351 4.671 4.320 0.000 0.000 0.251 266 K C -1.783 174.916 176.600 0.165 0.000 0.943 266 K CA -0.657 55.721 56.287 0.151 0.000 0.794 266 K CB 1.526 34.079 32.500 0.088 0.000 1.188 266 K HN 0.939 nan 8.250 nan 0.000 0.428 267 N N 2.882 121.664 118.700 0.137 0.000 2.497 267 N HA 0.005 4.745 4.740 0.000 0.000 0.271 267 N C 0.518 176.071 175.510 0.071 0.000 1.142 267 N CA -0.225 52.890 53.050 0.108 0.000 0.965 267 N CB 1.302 39.847 38.487 0.098 0.000 1.077 267 N HN 0.383 nan 8.380 nan 0.000 0.462 268 V N 3.410 123.362 119.914 0.062 0.000 3.354 268 V HA 0.069 4.189 4.120 0.000 0.000 0.258 268 V C 1.295 177.412 176.094 0.037 0.000 1.159 268 V CA 1.176 63.504 62.300 0.047 0.000 1.125 268 V CB -0.368 31.482 31.823 0.045 0.000 0.774 268 V HN 0.725 nan 8.190 nan 0.000 0.464 269 E N 0.553 120.776 120.200 0.038 0.000 2.079 269 E HA -0.073 4.277 4.350 0.000 0.000 0.191 269 E C 2.201 178.818 176.600 0.028 0.000 0.961 269 E CA 1.592 58.010 56.400 0.031 0.000 0.823 269 E CB -0.378 29.340 29.700 0.030 0.000 0.789 269 E HN 0.756 nan 8.360 nan 0.000 0.459 270 T N -2.413 112.161 114.554 0.032 0.000 2.978 270 T HA 0.154 4.504 4.350 0.000 0.000 0.262 270 T C 1.674 176.389 174.700 0.025 0.000 1.063 270 T CA 1.237 63.354 62.100 0.027 0.000 1.140 270 T CB 0.306 69.192 68.868 0.030 0.000 0.886 270 T HN 0.333 nan 8.240 nan 0.000 0.470 271 G N 0.997 109.815 108.800 0.030 0.000 2.195 271 G HA2 -0.250 3.710 3.960 0.000 0.000 0.246 271 G HA3 -0.250 3.710 3.960 0.000 0.000 0.246 271 G C -0.114 174.799 174.900 0.022 0.000 0.984 271 G CA 0.192 45.307 45.100 0.026 0.000 0.633 271 G HN 0.770 nan 8.290 nan 0.000 0.525 272 E N 1.325 121.540 120.200 0.025 0.000 2.558 272 E HA 0.185 4.535 4.350 0.000 0.000 0.255 272 E C 0.029 176.629 176.600 -0.000 0.000 0.968 272 E CA 0.532 56.940 56.400 0.014 0.000 0.939 272 E CB 0.153 29.867 29.700 0.024 0.000 0.921 272 E HN 0.572 nan 8.360 nan 0.000 0.477 273 E N 2.087 122.266 120.200 -0.035 0.000 2.179 273 E HA 0.342 4.692 4.350 0.000 0.000 0.275 273 E C -1.008 175.490 176.600 -0.170 0.000 0.945 273 E CA -0.451 55.899 56.400 -0.083 0.000 0.792 273 E CB 1.995 31.660 29.700 -0.057 0.000 1.125 273 E HN 0.241 nan 8.360 nan 0.000 0.397 274 S N 1.287 116.765 115.700 -0.370 0.000 2.697 274 S HA 0.445 4.915 4.470 0.000 0.000 0.289 274 S C -1.422 172.734 174.600 -0.740 0.000 1.149 274 S CA -0.883 56.992 58.200 -0.542 0.000 0.850 274 S CB 1.681 64.493 63.200 -0.647 0.000 1.151 274 S HN 0.620 nan 8.310 nan 0.000 0.491 275 E N 0.573 120.470 120.200 -0.504 0.000 2.430 275 E HA 0.746 5.096 4.350 0.000 0.000 0.279 275 E C -2.037 174.554 176.600 -0.016 0.000 1.003 275 E CA -0.738 55.513 56.400 -0.247 0.000 0.801 275 E CB 2.139 31.774 29.700 -0.109 0.000 1.313 275 E HN 0.375 nan 8.360 nan 0.000 0.459 276 D N 0.187 120.667 120.400 0.133 0.000 2.653 276 D HA 0.303 4.943 4.640 0.000 0.000 0.258 276 D C -1.595 174.625 176.300 -0.133 0.000 1.252 276 D CA -0.364 53.627 54.000 -0.015 0.000 0.777 276 D CB 2.391 43.173 40.800 -0.031 0.000 1.339 276 D HN 0.501 nan 8.370 nan 0.000 0.422 277 V N 0.423 120.139 119.914 -0.330 0.000 2.483 277 V HA 0.834 4.954 4.120 0.000 0.000 0.295 277 V C -1.333 174.451 176.094 -0.516 0.000 1.035 277 V CA -0.058 62.086 62.300 -0.260 0.000 0.896 277 V CB 0.930 32.666 31.823 -0.145 0.000 0.986 277 V HN 0.488 nan 8.190 nan 0.000 0.447 278 Y N 1.871 122.137 120.300 -0.057 0.000 2.609 278 Y HA 0.554 5.104 4.550 0.000 0.000 0.342 278 Y C 0.834 176.673 175.900 -0.101 0.000 1.058 278 Y CA -0.909 57.139 58.100 -0.087 0.000 1.055 278 Y CB 1.926 40.317 38.460 -0.115 0.000 1.292 278 Y HN 0.574 nan 8.280 nan 0.000 0.476 279 D N -0.111 120.313 120.400 0.040 0.000 2.240 279 D HA 0.048 4.688 4.640 0.000 0.000 0.206 279 D C -0.167 176.090 176.300 -0.072 0.000 0.963 279 D CA 1.195 55.172 54.000 -0.038 0.000 0.863 279 D CB 0.431 41.182 40.800 -0.082 0.000 0.973 279 D HN 0.435 nan 8.370 nan 0.000 0.501 280 T N 0.339 114.832 114.554 -0.101 0.000 2.916 280 T HA 0.436 4.786 4.350 0.000 0.000 0.298 280 T C -0.609 173.925 174.700 -0.276 0.000 1.031 280 T CA -0.551 61.435 62.100 -0.190 0.000 0.993 280 T CB 3.120 71.834 68.868 -0.258 0.000 1.045 280 T HN -0.347 nan 8.240 nan 0.000 0.454 281 V N 3.789 123.479 119.914 -0.372 0.000 2.376 281 V HA 0.479 4.599 4.120 0.000 0.000 0.287 281 V C -0.716 174.897 176.094 -0.801 0.000 1.015 281 V CA -0.775 61.141 62.300 -0.641 0.000 0.834 281 V CB 1.351 32.757 31.823 -0.695 0.000 1.001 281 V HN 0.716 nan 8.190 nan 0.000 0.428 282 L N 6.016 126.818 121.223 -0.702 0.000 2.272 282 L HA 0.594 4.934 4.340 0.000 0.000 0.289 282 L C -0.821 175.725 176.870 -0.541 0.000 1.032 282 L CA -0.121 54.378 54.840 -0.569 0.000 0.810 282 L CB 0.853 42.684 42.059 -0.381 0.000 1.205 282 L HN 0.618 nan 8.230 nan 0.000 0.422 283 W N 5.426 126.597 121.300 -0.214 0.000 2.335 283 W HA 0.619 5.280 4.660 0.000 0.000 0.306 283 W C 0.235 176.622 176.519 -0.220 0.000 1.216 283 W CA -0.879 56.331 57.345 -0.225 0.000 1.237 283 W CB 1.224 30.504 29.460 -0.300 0.000 1.243 283 W HN 0.721 nan 8.180 nan 0.000 0.493 284 A N 5.032 127.878 122.820 0.043 0.000 3.297 284 A HA 0.348 4.668 4.320 0.000 0.000 0.304 284 A C 0.122 177.690 177.584 -0.027 0.000 0.963 284 A CA -0.490 51.525 52.037 -0.035 0.000 0.935 284 A CB -0.714 18.228 19.000 -0.096 0.000 1.093 284 A HN 0.805 nan 8.150 nan 0.000 0.480 285 I N -2.883 117.683 120.570 -0.006 0.000 3.914 285 I HA 0.639 4.809 4.170 0.000 0.000 0.333 285 I C 0.546 176.648 176.117 -0.024 0.000 1.449 285 I CA 0.183 61.475 61.300 -0.014 0.000 1.135 285 I CB 0.254 38.243 38.000 -0.018 0.000 1.073 285 I HN 0.564 nan 8.210 nan 0.000 0.401 286 G N 1.406 110.187 108.800 -0.031 0.000 2.423 286 G HA2 0.048 4.008 3.960 0.000 0.000 0.684 286 G HA3 0.048 4.008 3.960 0.000 0.000 0.684 286 G C -1.196 173.702 174.900 -0.003 0.000 1.309 286 G CA -1.160 43.929 45.100 -0.019 0.000 0.950 286 G HN 0.356 nan 8.290 nan 0.000 0.587 287 R N -0.175 120.335 120.500 0.018 0.000 2.575 287 R HA 0.572 4.912 4.340 0.000 0.000 0.293 287 R C -0.368 175.964 176.300 0.053 0.000 0.983 287 R CA -0.981 55.145 56.100 0.044 0.000 0.887 287 R CB 2.544 32.879 30.300 0.057 0.000 1.184 287 R HN 0.611 nan 8.270 nan 0.000 0.445 288 K N 1.531 121.971 120.400 0.066 0.000 2.213 288 K HA 0.338 4.658 4.320 0.000 0.000 0.270 288 K C 0.017 176.665 176.600 0.080 0.000 1.002 288 K CA -0.479 55.849 56.287 0.068 0.000 0.868 288 K CB 1.467 34.007 32.500 0.066 0.000 1.093 288 K HN 0.785 nan 8.250 nan 0.000 0.454 289 G N 3.535 112.382 108.800 0.079 0.000 2.414 289 G HA2 0.065 4.025 3.960 0.000 0.000 0.236 289 G HA3 0.065 4.025 3.960 0.000 0.000 0.236 289 G C 0.188 175.139 174.900 0.086 0.000 1.293 289 G CA -0.454 44.698 45.100 0.086 0.000 0.869 289 G HN 0.702 nan 8.290 nan 0.000 0.556 290 L N 3.359 124.639 121.223 0.094 0.000 2.873 290 L HA 0.067 4.408 4.340 0.000 0.000 0.236 290 L C 1.965 178.887 176.870 0.086 0.000 1.375 290 L CA -0.538 54.357 54.840 0.093 0.000 1.239 290 L CB 0.043 42.165 42.059 0.105 0.000 1.603 290 L HN 0.590 nan 8.230 nan 0.000 0.430 291 V N -3.533 116.427 119.914 0.077 0.000 2.591 291 V HA -0.144 3.976 4.120 0.000 0.000 0.249 291 V C 1.926 178.058 176.094 0.063 0.000 1.053 291 V CA 1.155 63.499 62.300 0.073 0.000 1.068 291 V CB -0.486 31.372 31.823 0.059 0.000 0.689 291 V HN 0.587 nan 8.190 nan 0.000 0.462 292 D N 1.383 121.816 120.400 0.055 0.000 2.177 292 D HA -0.300 4.340 4.640 0.000 0.000 0.189 292 D C 1.623 177.948 176.300 0.041 0.000 1.002 292 D CA 2.223 56.249 54.000 0.043 0.000 0.845 292 D CB -0.737 40.087 40.800 0.041 0.000 0.960 292 D HN 0.464 nan 8.370 nan 0.000 0.447 293 D N 0.408 120.834 120.400 0.044 0.000 2.312 293 D HA -0.004 4.636 4.640 0.000 0.000 0.211 293 D C 2.382 178.701 176.300 0.031 0.000 0.964 293 D CA 0.049 54.066 54.000 0.029 0.000 0.877 293 D CB -0.247 40.567 40.800 0.024 0.000 0.924 293 D HN 0.289 nan 8.370 nan 0.000 0.515 294 L N 0.651 121.910 121.223 0.060 0.000 2.189 294 L HA -0.193 4.147 4.340 0.000 0.000 0.214 294 L C 0.106 177.061 176.870 0.142 0.000 1.097 294 L CA 0.608 55.511 54.840 0.103 0.000 0.764 294 L CB -0.673 41.490 42.059 0.173 0.000 0.900 294 L HN 0.026 nan 8.230 nan 0.000 0.436 295 N N -0.369 118.385 118.700 0.089 0.000 2.725 295 N HA -0.227 4.513 4.740 0.000 0.000 0.251 295 N C 0.813 176.374 175.510 0.084 0.000 1.031 295 N CA 0.551 53.645 53.050 0.074 0.000 0.720 295 N CB -1.667 36.855 38.487 0.059 0.000 0.930 295 N HN 0.351 nan 8.380 nan 0.000 0.543 296 L N -0.578 120.681 121.223 0.060 0.000 2.129 296 L HA -0.161 4.179 4.340 0.000 0.000 0.212 296 L C -0.455 176.362 176.870 -0.088 0.000 1.087 296 L CA 1.750 56.568 54.840 -0.035 0.000 0.757 296 L CB -1.217 40.822 42.059 -0.034 0.000 0.896 296 L HN 0.233 nan 8.230 nan 0.000 0.434 297 P HA -0.125 nan 4.420 nan 0.000 0.220 297 P C 0.894 178.159 177.300 -0.058 0.000 1.148 297 P CA 1.276 64.343 63.100 -0.055 0.000 0.803 297 P CB -0.193 31.488 31.700 -0.031 0.000 0.782 298 N N -0.383 118.296 118.700 -0.036 0.000 2.289 298 N HA -0.110 4.630 4.740 0.000 0.000 0.184 298 N C 1.509 176.969 175.510 -0.083 0.000 1.016 298 N CA 0.918 53.952 53.050 -0.026 0.000 0.872 298 N CB -0.221 38.281 38.487 0.025 0.000 0.973 298 N HN 0.126 nan 8.380 nan 0.000 0.433 299 A N -0.153 122.554 122.820 -0.189 0.000 2.220 299 A HA 0.419 4.739 4.320 0.000 0.000 0.211 299 A C 1.584 178.988 177.584 -0.300 0.000 1.176 299 A CA 0.674 52.488 52.037 -0.371 0.000 0.834 299 A CB 0.153 18.578 19.000 -0.959 0.000 0.868 299 A HN 0.286 nan 8.150 nan 0.000 0.488 300 G N -1.320 107.356 108.800 -0.207 0.000 2.157 300 G HA2 -0.187 3.773 3.960 0.000 0.000 0.239 300 G HA3 -0.187 3.773 3.960 0.000 0.000 0.239 300 G C 0.154 174.955 174.900 -0.164 0.000 0.982 300 G CA 0.094 45.102 45.100 -0.154 0.000 0.650 300 G HN 0.756 nan 8.290 nan 0.000 0.527 301 V N 2.513 122.302 119.914 -0.208 0.000 2.455 301 V HA 0.522 4.642 4.120 0.000 0.000 0.273 301 V C 1.333 177.355 176.094 -0.121 0.000 1.045 301 V CA 0.439 62.629 62.300 -0.185 0.000 0.976 301 V CB 1.056 32.736 31.823 -0.237 0.000 0.993 301 V HN 0.736 nan 8.190 nan 0.000 0.475 302 T N 3.764 118.256 114.554 -0.102 0.000 2.899 302 T HA 0.553 4.903 4.350 0.000 0.000 0.295 302 T C -0.495 174.163 174.700 -0.069 0.000 1.033 302 T CA -0.417 61.634 62.100 -0.082 0.000 1.084 302 T CB 1.603 70.422 68.868 -0.081 0.000 0.979 302 T HN 0.412 nan 8.240 nan 0.000 0.532 303 V N 2.591 122.468 119.914 -0.061 0.000 2.914 303 V HA 0.610 4.730 4.120 0.000 0.000 0.314 303 V C -0.932 175.124 176.094 -0.063 0.000 1.084 303 V CA -0.892 61.383 62.300 -0.042 0.000 0.963 303 V CB 2.242 34.051 31.823 -0.023 0.000 1.025 303 V HN 1.111 nan 8.190 nan 0.000 0.432 304 Q N 4.943 124.708 119.800 -0.059 0.000 2.616 304 Q HA 0.480 4.820 4.340 0.000 0.000 0.250 304 Q C 0.175 176.160 176.000 -0.026 0.000 0.991 304 Q CA -0.367 55.367 55.803 -0.114 0.000 0.707 304 Q CB 0.717 29.270 28.738 -0.309 0.000 1.247 304 Q HN 0.761 nan 8.270 nan 0.000 0.491 305 K N 0.729 121.121 120.400 -0.014 0.000 1.751 305 K HA -0.274 4.046 4.320 0.000 0.000 0.134 305 K C 0.117 176.738 176.600 0.036 0.000 1.167 305 K CA 2.112 58.410 56.287 0.019 0.000 0.330 305 K CB -1.106 31.420 32.500 0.044 0.000 0.663 305 K HN 0.913 nan 8.250 nan 0.000 0.817 306 D N 1.753 122.189 120.400 0.059 0.000 2.328 306 D HA 0.018 4.658 4.640 0.000 0.000 0.226 306 D C 0.041 176.391 176.300 0.082 0.000 1.066 306 D CA 0.685 54.724 54.000 0.065 0.000 0.861 306 D CB 0.311 41.150 40.800 0.065 0.000 0.912 306 D HN 0.071 nan 8.370 nan 0.000 0.521 307 K N 0.520 120.983 120.400 0.104 0.000 2.350 307 K HA 0.544 4.864 4.320 0.000 0.000 0.241 307 K C -0.190 176.472 176.600 0.103 0.000 0.994 307 K CA -0.933 55.432 56.287 0.130 0.000 0.839 307 K CB 2.332 34.966 32.500 0.224 0.000 1.244 307 K HN -0.019 nan 8.250 nan 0.000 0.443 308 I N 2.975 123.606 120.570 0.102 0.000 2.362 308 I HA 0.247 4.417 4.170 0.000 0.000 0.289 308 I C -2.264 173.900 176.117 0.078 0.000 0.994 308 I CA -2.313 59.024 61.300 0.062 0.000 1.158 308 I CB 1.753 39.781 38.000 0.048 0.000 1.315 308 I HN 0.129 nan 8.210 nan 0.000 0.451 309 P HA 0.147 nan 4.420 nan 0.000 0.271 309 P C -0.754 176.548 177.300 0.005 0.000 1.220 309 P CA -0.153 62.960 63.100 0.023 0.000 0.768 309 P CB 0.844 32.501 31.700 -0.072 0.000 0.848 310 V N 0.034 119.960 119.914 0.020 0.000 3.040 310 V HA 0.684 4.804 4.120 0.000 0.000 0.312 310 V C -0.355 175.745 176.094 0.011 0.000 1.115 310 V CA -1.208 61.096 62.300 0.008 0.000 0.998 310 V CB 2.122 33.969 31.823 0.040 0.000 1.042 310 V HN 0.467 nan 8.190 nan 0.000 0.433 311 D N 1.350 121.754 120.400 0.007 0.000 2.433 311 D HA 0.227 4.867 4.640 0.000 0.000 0.255 311 D C 1.253 177.591 176.300 0.063 0.000 1.226 311 D CA 0.175 54.187 54.000 0.020 0.000 1.015 311 D CB 1.261 42.062 40.800 0.001 0.000 1.091 311 D HN 0.947 nan 8.370 nan 0.000 0.527 312 S N -1.523 114.219 115.700 0.071 0.000 2.660 312 S HA -0.138 4.332 4.470 0.000 0.000 0.228 312 S C 1.152 175.832 174.600 0.133 0.000 0.966 312 S CA 0.602 58.868 58.200 0.110 0.000 0.940 312 S CB -0.472 62.782 63.200 0.090 0.000 0.773 312 S HN 0.577 nan 8.310 nan 0.000 0.535 313 Q N 0.975 120.855 119.800 0.133 0.000 2.159 313 Q HA 0.127 4.467 4.340 0.000 0.000 0.217 313 Q C -0.110 176.043 176.000 0.256 0.000 0.818 313 Q CA 0.151 56.054 55.803 0.166 0.000 1.008 313 Q CB 0.092 28.927 28.738 0.161 0.000 1.148 313 Q HN 0.563 nan 8.270 nan 0.000 0.491 314 E N -2.347 117.986 120.200 0.221 0.000 2.805 314 E HA -0.274 4.076 4.350 0.000 0.000 0.266 314 E C -0.463 176.268 176.600 0.218 0.000 1.092 314 E CA 1.022 57.566 56.400 0.240 0.000 0.781 314 E CB -2.399 27.456 29.700 0.259 0.000 1.379 314 E HN 0.429 nan 8.360 nan 0.000 0.433 315 A N 1.385 124.223 122.820 0.030 0.000 2.488 315 A HA 0.389 4.709 4.320 0.000 0.000 0.249 315 A C 1.244 178.693 177.584 -0.225 0.000 1.083 315 A CA 0.468 52.261 52.037 -0.406 0.000 0.768 315 A CB 0.365 19.140 19.000 -0.374 0.000 1.017 315 A HN 0.483 nan 8.150 nan 0.000 0.496 316 T N 0.432 114.828 114.554 -0.263 0.000 2.773 316 T HA 0.045 4.395 4.350 0.000 0.000 0.337 316 T C 1.257 175.855 174.700 -0.171 0.000 1.086 316 T CA 0.211 62.212 62.100 -0.166 0.000 0.998 316 T CB 0.104 68.879 68.868 -0.154 0.000 1.281 316 T HN 0.745 nan 8.240 nan 0.000 0.525 317 N N -0.458 118.160 118.700 -0.137 0.000 2.494 317 N HA -0.034 4.706 4.740 0.000 0.000 0.182 317 N C 0.113 175.544 175.510 -0.132 0.000 1.076 317 N CA 0.152 53.131 53.050 -0.119 0.000 0.908 317 N CB -0.376 38.052 38.487 -0.098 0.000 0.967 317 N HN 0.376 nan 8.380 nan 0.000 0.449 318 V N 1.686 121.499 119.914 -0.169 0.000 2.364 318 V HA 0.347 4.467 4.120 0.000 0.000 0.272 318 V C 1.497 177.468 176.094 -0.205 0.000 1.036 318 V CA -0.456 61.740 62.300 -0.173 0.000 0.880 318 V CB 0.769 32.465 31.823 -0.211 0.000 0.991 318 V HN 0.288 nan 8.190 nan 0.000 0.460 319 A N 4.849 127.579 122.820 -0.150 0.000 2.042 319 A HA -0.193 4.127 4.320 0.000 0.000 0.222 319 A C 1.832 179.311 177.584 -0.174 0.000 1.167 319 A CA 2.272 54.222 52.037 -0.146 0.000 0.649 319 A CB -0.382 18.590 19.000 -0.048 0.000 0.809 319 A HN 0.931 nan 8.150 nan 0.000 0.457 320 N N -0.789 117.838 118.700 -0.122 0.000 2.282 320 N HA 0.124 4.864 4.740 0.000 0.000 0.185 320 N C 0.178 175.731 175.510 0.071 0.000 1.099 320 N CA 0.030 53.085 53.050 0.008 0.000 0.878 320 N CB -0.024 38.426 38.487 -0.060 0.000 0.993 320 N HN 0.460 nan 8.380 nan 0.000 0.481 321 I N 1.469 121.965 120.570 -0.123 0.000 2.321 321 I HA 0.274 4.444 4.170 0.000 0.000 0.291 321 I C -0.809 175.208 176.117 -0.166 0.000 0.998 321 I CA -0.801 60.487 61.300 -0.020 0.000 1.227 321 I CB 0.569 38.466 38.000 -0.171 0.000 1.368 321 I HN -0.157 nan 8.210 nan 0.000 0.466 322 Y N 4.294 124.643 120.300 0.082 0.000 2.549 322 Y HA 0.788 5.338 4.550 0.000 0.000 0.339 322 Y C 0.237 176.193 175.900 0.093 0.000 1.053 322 Y CA -0.894 57.249 58.100 0.071 0.000 1.105 322 Y CB 1.975 40.477 38.460 0.070 0.000 1.258 322 Y HN 0.567 nan 8.280 nan 0.000 0.478 323 A N 1.206 124.162 122.820 0.227 0.000 2.475 323 A HA 0.851 5.171 4.320 0.000 0.000 0.301 323 A C -1.758 175.930 177.584 0.173 0.000 1.059 323 A CA -0.760 51.385 52.037 0.179 0.000 0.710 323 A CB 1.810 20.886 19.000 0.126 0.000 1.288 323 A HN 0.634 nan 8.150 nan 0.000 0.408 324 V N 0.907 120.914 119.914 0.155 0.000 3.087 324 V HA 0.815 4.935 4.120 0.000 0.000 0.306 324 V C 0.517 176.690 176.094 0.132 0.000 1.187 324 V CA 1.171 63.562 62.300 0.152 0.000 0.999 324 V CB 1.740 33.650 31.823 0.145 0.000 1.049 324 V HN 2.908 nan 8.190 nan 0.000 0.431 325 G N 4.500 113.383 108.800 0.139 0.000 2.553 325 G HA2 -0.213 3.747 3.960 0.000 0.000 0.242 325 G HA3 -0.213 3.747 3.960 0.000 0.000 0.242 325 G C 0.206 175.168 174.900 0.105 0.000 1.277 325 G CA 0.587 45.760 45.100 0.122 0.000 0.910 325 G HN 0.908 nan 8.290 nan 0.000 0.576 326 D N 0.199 120.658 120.400 0.098 0.000 2.190 326 D HA -0.115 4.525 4.640 0.000 0.000 0.200 326 D C 2.486 178.833 176.300 0.078 0.000 0.992 326 D CA 1.947 55.999 54.000 0.086 0.000 0.854 326 D CB -0.283 40.575 40.800 0.097 0.000 0.936 326 D HN 0.610 nan 8.370 nan 0.000 0.462 327 I N -0.478 120.146 120.570 0.090 0.000 2.916 327 I HA -0.041 4.129 4.170 0.000 0.000 0.267 327 I C 1.083 177.252 176.117 0.087 0.000 1.263 327 I CA 0.239 61.593 61.300 0.091 0.000 1.471 327 I CB -0.516 37.544 38.000 0.100 0.000 1.089 327 I HN -0.083 nan 8.210 nan 0.000 0.468 328 I N 1.031 121.646 120.570 0.075 0.000 2.588 328 I HA -0.046 4.124 4.170 0.000 0.000 0.283 328 I C -0.052 176.090 176.117 0.043 0.000 1.119 328 I CA -0.425 60.913 61.300 0.063 0.000 1.419 328 I CB 0.559 38.583 38.000 0.040 0.000 1.394 328 I HN 0.100 nan 8.210 nan 0.000 0.562 329 Y N 5.683 125.963 120.300 -0.034 0.000 2.436 329 Y HA 0.347 4.897 4.550 0.000 0.000 0.336 329 Y C 1.039 176.895 175.900 -0.073 0.000 1.049 329 Y CA 0.355 58.431 58.100 -0.040 0.000 1.294 329 Y CB 0.622 39.061 38.460 -0.034 0.000 1.179 329 Y HN 0.801 nan 8.280 nan 0.000 0.520 330 G N 3.926 112.201 108.800 -0.875 0.000 2.147 330 G HA2 -0.222 3.738 3.960 0.000 0.000 0.244 330 G HA3 -0.222 3.738 3.960 0.000 0.000 0.244 330 G C -0.159 174.518 174.900 -0.371 0.000 1.005 330 G CA -0.022 44.627 45.100 -0.751 0.000 0.713 330 G HN 0.477 nan 8.290 nan 0.000 0.515 331 K N -0.210 120.007 120.400 -0.305 0.000 2.281 331 K HA 0.553 4.873 4.320 0.000 0.000 0.242 331 K C -2.572 173.957 176.600 -0.118 0.000 0.971 331 K CA -2.124 53.991 56.287 -0.286 0.000 0.834 331 K CB 1.277 33.448 32.500 -0.548 0.000 1.181 331 K HN -0.072 nan 8.250 nan 0.000 0.435 332 P HA 0.016 nan 4.420 nan 0.000 0.261 332 P C -0.853 176.485 177.300 0.064 0.000 1.183 332 P CA 0.315 63.434 63.100 0.032 0.000 0.761 332 P CB 0.223 31.970 31.700 0.078 0.000 0.785 333 E N 3.514 123.754 120.200 0.067 0.000 1.932 333 E HA 0.302 4.652 4.350 0.000 0.000 0.259 333 E C -0.286 176.386 176.600 0.120 0.000 1.099 333 E CA -0.126 56.333 56.400 0.098 0.000 0.970 333 E CB -0.006 29.756 29.700 0.103 0.000 1.143 333 E HN 0.378 nan 8.360 nan 0.000 0.441 334 L N 0.443 121.724 121.223 0.097 0.000 2.415 334 L HA 0.290 4.630 4.340 0.000 0.000 0.256 334 L C 1.198 178.108 176.870 0.067 0.000 1.010 334 L CA -0.671 54.213 54.840 0.074 0.000 0.826 334 L CB 2.118 44.199 42.059 0.037 0.000 1.405 334 L HN 0.209 nan 8.230 nan 0.000 0.410 335 T N 0.355 114.941 114.554 0.053 0.000 2.737 335 T HA -0.045 4.305 4.350 0.000 0.000 0.265 335 T C -1.224 173.492 174.700 0.027 0.000 1.038 335 T CA 1.683 63.807 62.100 0.041 0.000 1.144 335 T CB -0.523 68.362 68.868 0.029 0.000 0.866 335 T HN 0.453 nan 8.240 nan 0.000 0.434 336 P HA 0.046 nan 4.420 nan 0.000 0.223 336 P C 1.441 178.737 177.300 -0.008 0.000 1.151 336 P CA 0.407 63.507 63.100 -0.001 0.000 0.787 336 P CB -0.091 31.604 31.700 -0.008 0.000 0.788 337 V N 0.372 120.292 119.914 0.010 0.000 2.283 337 V HA -0.226 3.894 4.120 0.000 0.000 0.243 337 V C 2.480 178.597 176.094 0.038 0.000 1.039 337 V CA 2.213 64.522 62.300 0.014 0.000 1.016 337 V CB -1.692 30.182 31.823 0.084 0.000 0.650 337 V HN 0.090 nan 8.190 nan 0.000 0.449 338 A N -0.022 122.839 122.820 0.068 0.000 1.892 338 A HA -0.209 4.111 4.320 0.000 0.000 0.218 338 A C 2.410 180.018 177.584 0.041 0.000 1.188 338 A CA 2.454 54.535 52.037 0.073 0.000 0.631 338 A CB -0.878 18.166 19.000 0.073 0.000 0.822 338 A HN 0.324 nan 8.150 nan 0.000 0.447 339 V N -0.504 119.422 119.914 0.020 0.000 2.255 339 V HA -0.244 3.876 4.120 0.000 0.000 0.247 339 V C 2.504 178.592 176.094 -0.010 0.000 1.051 339 V CA 2.115 64.417 62.300 0.004 0.000 1.018 339 V CB -0.807 31.013 31.823 -0.005 0.000 0.641 339 V HN 0.588 nan 8.190 nan 0.000 0.445 340 L N 0.567 121.773 121.223 -0.027 0.000 2.093 340 L HA -0.006 4.334 4.340 0.000 0.000 0.208 340 L C 2.389 179.224 176.870 -0.059 0.000 1.085 340 L CA 2.260 57.070 54.840 -0.051 0.000 0.755 340 L CB -0.936 41.078 42.059 -0.076 0.000 0.904 340 L HN 0.228 nan 8.230 nan 0.000 0.435 341 A N -0.696 122.090 122.820 -0.056 0.000 1.930 341 A HA -0.011 4.309 4.320 0.000 0.000 0.217 341 A C 2.322 179.914 177.584 0.012 0.000 1.175 341 A CA 1.330 53.348 52.037 -0.032 0.000 0.627 341 A CB -1.461 17.560 19.000 0.035 0.000 0.815 341 A HN 0.506 nan 8.150 nan 0.000 0.443 342 G N -0.413 108.400 108.800 0.022 0.000 2.421 342 G HA2 -0.271 3.689 3.960 0.000 0.000 0.216 342 G HA3 -0.271 3.689 3.960 0.000 0.000 0.216 342 G C 1.761 176.664 174.900 0.005 0.000 1.171 342 G CA 1.078 46.193 45.100 0.025 0.000 0.775 342 G HN 0.562 nan 8.290 nan 0.000 0.543 343 R N -0.058 120.439 120.500 -0.005 0.000 2.066 343 R HA 0.086 4.426 4.340 0.000 0.000 0.232 343 R C 2.608 178.900 176.300 -0.014 0.000 1.131 343 R CA 1.011 57.106 56.100 -0.009 0.000 0.955 343 R CB -0.377 29.914 30.300 -0.015 0.000 0.851 343 R HN 0.386 nan 8.270 nan 0.000 0.432 344 L N 0.828 122.036 121.223 -0.025 0.000 2.083 344 L HA -0.196 4.144 4.340 0.000 0.000 0.209 344 L C 2.488 179.336 176.870 -0.036 0.000 1.083 344 L CA 0.617 55.439 54.840 -0.031 0.000 0.752 344 L CB -0.478 41.556 42.059 -0.042 0.000 0.899 344 L HN 0.290 nan 8.230 nan 0.000 0.433 345 L N 0.295 121.496 121.223 -0.037 0.000 2.017 345 L HA -0.132 4.208 4.340 0.000 0.000 0.208 345 L C 2.653 179.455 176.870 -0.114 0.000 1.073 345 L CA 2.024 56.816 54.840 -0.080 0.000 0.745 345 L CB -0.723 41.294 42.059 -0.068 0.000 0.894 345 L HN 0.125 nan 8.230 nan 0.000 0.432 346 A N -0.478 122.316 122.820 -0.042 0.000 1.940 346 A HA -0.264 4.056 4.320 0.000 0.000 0.219 346 A C 2.505 180.111 177.584 0.037 0.000 1.176 346 A CA 1.932 53.990 52.037 0.035 0.000 0.631 346 A CB -0.631 18.416 19.000 0.079 0.000 0.814 346 A HN 0.494 nan 8.150 nan 0.000 0.446 347 R N -0.647 119.855 120.500 0.003 0.000 2.115 347 R HA -0.021 4.319 4.340 0.000 0.000 0.230 347 R C 2.358 178.638 176.300 -0.033 0.000 1.111 347 R CA 1.339 57.441 56.100 0.004 0.000 0.976 347 R CB -0.156 30.142 30.300 -0.004 0.000 0.870 347 R HN 0.542 nan 8.270 nan 0.000 0.445 348 R N -0.357 120.099 120.500 -0.073 0.000 2.115 348 R HA -0.026 4.314 4.340 0.000 0.000 0.226 348 R C 2.128 178.324 176.300 -0.172 0.000 1.100 348 R CA 0.904 56.949 56.100 -0.093 0.000 0.980 348 R CB -0.143 30.110 30.300 -0.078 0.000 0.875 348 R HN 0.232 nan 8.270 nan 0.000 0.445 349 L N -1.039 120.003 121.223 -0.301 0.000 2.109 349 L HA -0.122 4.218 4.340 0.000 0.000 0.207 349 L C 1.191 177.635 176.870 -0.711 0.000 1.086 349 L CA 1.462 55.927 54.840 -0.624 0.000 0.760 349 L CB 0.040 41.528 42.059 -0.951 0.000 0.910 349 L HN 0.223 nan 8.230 nan 0.000 0.437 350 Y N -3.008 117.271 120.300 -0.035 0.000 2.476 350 Y HA 0.270 4.820 4.550 0.000 0.000 0.261 350 Y C 1.843 177.734 175.900 -0.014 0.000 1.077 350 Y CA 0.113 58.201 58.100 -0.020 0.000 1.240 350 Y CB 0.513 38.960 38.460 -0.021 0.000 1.317 350 Y HN -0.053 nan 8.280 nan 0.000 0.540 351 G N -0.578 108.275 108.800 0.088 0.000 3.453 351 G HA2 0.375 4.335 3.960 0.000 0.000 0.263 351 G HA3 0.375 4.335 3.960 0.000 0.000 0.263 351 G C 1.242 176.156 174.900 0.023 0.000 1.060 351 G CA 0.117 45.250 45.100 0.055 0.000 0.793 351 G HN 0.421 nan 8.290 nan 0.000 0.532 352 G N 0.110 108.915 108.800 0.009 0.000 2.203 352 G HA2 -0.264 3.696 3.960 0.000 0.000 0.263 352 G HA3 -0.264 3.696 3.960 0.000 0.000 0.263 352 G C 0.528 175.424 174.900 -0.007 0.000 1.012 352 G CA 0.680 45.779 45.100 -0.002 0.000 0.749 352 G HN 0.948 nan 8.290 nan 0.000 0.512 353 S N -0.876 114.817 115.700 -0.012 0.000 2.601 353 S HA 0.604 5.074 4.470 0.000 0.000 0.271 353 S C 1.513 176.103 174.600 -0.015 0.000 1.305 353 S CA 0.913 59.105 58.200 -0.013 0.000 1.022 353 S CB 1.104 64.296 63.200 -0.014 0.000 0.940 353 S HN 1.213 nan 8.310 nan 0.000 0.525 354 T N 1.546 116.094 114.554 -0.009 0.000 3.174 354 T HA 0.254 4.604 4.350 0.000 0.000 0.269 354 T C 0.293 174.990 174.700 -0.004 0.000 1.017 354 T CA -0.324 61.773 62.100 -0.005 0.000 0.899 354 T CB -0.137 68.732 68.868 0.001 0.000 1.077 354 T HN 0.643 nan 8.240 nan 0.000 0.552 355 Q N 2.083 121.877 119.800 -0.010 0.000 2.296 355 Q HA 0.243 4.583 4.340 0.000 0.000 0.263 355 Q C -0.341 175.650 176.000 -0.014 0.000 1.026 355 Q CA -0.369 55.426 55.803 -0.013 0.000 0.912 355 Q CB 0.538 29.264 28.738 -0.021 0.000 1.198 355 Q HN 0.474 nan 8.270 nan 0.000 0.407 356 R N 2.719 123.216 120.500 -0.006 0.000 2.500 356 R HA 0.250 4.590 4.340 0.000 0.000 0.275 356 R C -0.048 176.231 176.300 -0.035 0.000 1.051 356 R CA -0.794 55.308 56.100 0.003 0.000 1.088 356 R CB 0.664 30.983 30.300 0.032 0.000 1.063 356 R HN 0.575 nan 8.270 nan 0.000 0.511 357 M N 1.910 121.473 119.600 -0.062 0.000 2.238 357 M HA -0.021 4.459 4.480 0.000 0.000 0.350 357 M C -0.579 175.577 176.300 -0.241 0.000 1.321 357 M CA 0.182 55.349 55.300 -0.221 0.000 1.097 357 M CB 0.341 32.704 32.600 -0.395 0.000 1.713 357 M HN 0.295 nan 8.290 nan 0.000 0.455 358 D N 3.827 124.076 120.400 -0.252 0.000 2.359 358 D HA 0.128 4.768 4.640 0.000 0.000 0.230 358 D C -0.640 175.530 176.300 -0.217 0.000 1.118 358 D CA 0.121 54.033 54.000 -0.147 0.000 0.844 358 D CB 0.192 40.946 40.800 -0.076 0.000 1.059 358 D HN 0.655 nan 8.370 nan 0.000 0.493 359 Y N 2.273 122.572 120.300 -0.001 0.000 2.457 359 Y HA 0.110 4.660 4.550 0.000 0.000 0.263 359 Y C 1.001 176.892 175.900 -0.015 0.000 1.164 359 Y CA -0.182 57.913 58.100 -0.008 0.000 1.274 359 Y CB 0.336 38.792 38.460 -0.007 0.000 1.097 359 Y HN 0.060 nan 8.280 nan 0.000 0.523 360 K N 0.285 120.749 120.400 0.107 0.000 2.098 360 K HA 0.097 4.417 4.320 0.000 0.000 0.257 360 K C -0.313 176.306 176.600 0.032 0.000 0.999 360 K CA -0.504 55.822 56.287 0.065 0.000 0.924 360 K CB 0.611 33.143 32.500 0.053 0.000 1.028 360 K HN 0.071 nan 8.250 nan 0.000 0.466 361 D N 0.006 120.419 120.400 0.022 0.000 2.686 361 D HA -0.137 4.503 4.640 0.000 0.000 0.235 361 D C -0.520 175.770 176.300 -0.017 0.000 1.160 361 D CA 0.596 54.598 54.000 0.003 0.000 0.645 361 D CB -1.441 39.365 40.800 0.011 0.000 1.039 361 D HN 0.196 nan 8.370 nan 0.000 0.423 362 V N 0.323 120.228 119.914 -0.015 0.000 2.470 362 V HA 0.381 4.501 4.120 0.000 0.000 0.276 362 V C 1.202 177.263 176.094 -0.056 0.000 1.040 362 V CA -0.159 62.125 62.300 -0.028 0.000 1.008 362 V CB 1.266 33.088 31.823 -0.003 0.000 0.990 362 V HN 0.418 nan 8.190 nan 0.000 0.477 363 A N 4.577 127.358 122.820 -0.063 0.000 2.351 363 A HA 0.666 4.986 4.320 0.000 0.000 0.257 363 A C 0.285 177.814 177.584 -0.092 0.000 1.087 363 A CA 0.009 51.993 52.037 -0.087 0.000 0.798 363 A CB 0.926 19.876 19.000 -0.082 0.000 1.033 363 A HN 0.794 nan 8.150 nan 0.000 0.488 364 T N -0.182 114.297 114.554 -0.125 0.000 2.864 364 T HA 0.679 5.029 4.350 0.000 0.000 0.299 364 T C -0.887 173.684 174.700 -0.216 0.000 1.166 364 T CA -0.281 61.737 62.100 -0.137 0.000 1.007 364 T CB 1.541 70.346 68.868 -0.105 0.000 1.219 364 T HN 0.687 nan 8.240 nan 0.000 0.506 365 T N 2.088 116.459 114.554 -0.304 0.000 2.881 365 T HA 0.530 4.880 4.350 0.000 0.000 0.290 365 T C -0.820 173.503 174.700 -0.628 0.000 1.000 365 T CA -0.454 61.314 62.100 -0.553 0.000 0.978 365 T CB 1.391 69.746 68.868 -0.855 0.000 0.997 365 T HN 0.485 nan 8.240 nan 0.000 0.443 366 V N 4.088 123.718 119.914 -0.475 0.000 2.364 366 V HA 0.325 4.445 4.120 0.000 0.000 0.272 366 V C -0.297 175.615 176.094 -0.302 0.000 1.036 366 V CA -0.499 61.644 62.300 -0.262 0.000 0.880 366 V CB 0.035 31.792 31.823 -0.110 0.000 0.991 366 V HN 0.871 nan 8.190 nan 0.000 0.460 367 F N 3.435 123.341 119.950 -0.073 0.000 2.752 367 F HA 0.186 4.713 4.527 0.000 0.000 0.332 367 F C 1.571 177.194 175.800 -0.295 0.000 1.188 367 F CA -0.497 57.337 58.000 -0.278 0.000 1.296 367 F CB -0.272 38.456 39.000 -0.454 0.000 1.526 367 F HN 0.556 nan 8.300 nan 0.000 0.576 368 T N -2.242 112.343 114.554 0.052 0.000 2.766 368 T HA 0.119 4.469 4.350 0.000 0.000 0.295 368 T C -1.560 173.295 174.700 0.258 0.000 1.024 368 T CA -1.587 60.592 62.100 0.131 0.000 1.018 368 T CB 0.955 69.890 68.868 0.111 0.000 1.002 368 T HN -0.020 nan 8.240 nan 0.000 0.532 369 P HA -0.032 nan 4.420 nan 0.000 0.216 369 P C 0.276 177.761 177.300 0.308 0.000 1.157 369 P CA 0.669 63.956 63.100 0.311 0.000 0.880 369 P CB -0.005 31.812 31.700 0.196 0.000 0.791 370 L N 0.067 121.433 121.223 0.238 0.000 2.264 370 L HA 0.213 4.553 4.340 0.000 0.000 0.289 370 L C 0.139 177.150 176.870 0.234 0.000 1.044 370 L CA -0.412 54.577 54.840 0.249 0.000 0.807 370 L CB 0.411 42.594 42.059 0.208 0.000 1.192 370 L HN -0.116 nan 8.230 nan 0.000 0.425 371 E N 3.198 123.563 120.200 0.276 0.000 2.343 371 E HA 0.158 4.508 4.350 0.000 0.000 0.269 371 E C -1.530 175.227 176.600 0.261 0.000 1.047 371 E CA -0.286 56.242 56.400 0.214 0.000 0.874 371 E CB 1.117 30.943 29.700 0.210 0.000 1.033 371 E HN 0.419 nan 8.360 nan 0.000 0.409 372 Y N 1.539 121.853 120.300 0.024 0.000 2.326 372 Y HA 0.548 5.098 4.550 0.000 0.000 0.331 372 Y C -1.253 174.670 175.900 0.038 0.000 0.962 372 Y CA -1.390 56.756 58.100 0.077 0.000 1.167 372 Y CB 0.741 39.222 38.460 0.035 0.000 1.148 372 Y HN 0.513 nan 8.280 nan 0.000 0.463 373 A N 4.964 127.738 122.820 -0.077 0.000 2.355 373 A HA 0.893 5.213 4.320 0.000 0.000 0.324 373 A C -0.899 176.509 177.584 -0.293 0.000 1.117 373 A CA -0.066 51.809 52.037 -0.269 0.000 0.785 373 A CB 0.311 19.247 19.000 -0.108 0.000 1.254 373 A HN 1.199 nan 8.150 nan 0.000 0.453 374 C N -0.216 118.874 119.300 -0.351 0.000 3.239 374 C HA 0.894 5.354 4.460 0.000 0.000 0.317 374 C C -0.848 173.989 174.990 -0.254 0.000 1.310 374 C CA -0.784 58.040 59.018 -0.324 0.000 1.371 374 C CB 0.759 28.264 27.740 -0.393 0.000 1.714 374 C HN 1.491 nan 8.230 nan 0.000 0.473 375 V N 1.994 121.749 119.914 -0.265 0.000 2.932 375 V HA 0.890 5.010 4.120 0.000 0.000 0.307 375 V C 0.470 176.485 176.094 -0.132 0.000 1.147 375 V CA 1.814 64.015 62.300 -0.164 0.000 0.951 375 V CB 1.565 33.315 31.823 -0.121 0.000 1.031 375 V HN 2.972 nan 8.190 nan 0.000 0.426 376 G N 4.570 113.338 108.800 -0.053 0.000 2.584 376 G HA2 -0.157 3.803 3.960 0.000 0.000 0.229 376 G HA3 -0.157 3.803 3.960 0.000 0.000 0.229 376 G C -0.638 174.309 174.900 0.078 0.000 1.320 376 G CA -0.131 44.985 45.100 0.027 0.000 0.891 376 G HN 1.220 nan 8.290 nan 0.000 0.573 377 L N 1.275 122.599 121.223 0.169 0.000 2.371 377 L HA 0.481 4.822 4.340 0.000 0.000 0.272 377 L C 1.655 178.738 176.870 0.355 0.000 1.124 377 L CA -0.021 54.941 54.840 0.204 0.000 0.816 377 L CB 1.260 43.434 42.059 0.192 0.000 1.129 377 L HN 0.992 nan 8.230 nan 0.000 0.448 378 S N 0.496 116.372 115.700 0.293 0.000 2.589 378 S HA -0.011 4.459 4.470 0.000 0.000 0.265 378 S C 0.934 175.618 174.600 0.140 0.000 1.342 378 S CA -0.322 58.023 58.200 0.242 0.000 1.005 378 S CB 1.099 64.402 63.200 0.172 0.000 0.909 378 S HN 0.785 nan 8.310 nan 0.000 0.555 379 E N 1.200 121.411 120.200 0.018 0.000 2.058 379 E HA -0.260 4.090 4.350 0.000 0.000 0.194 379 E C 2.028 178.666 176.600 0.063 0.000 0.997 379 E CA 1.707 58.131 56.400 0.040 0.000 0.801 379 E CB -0.235 29.454 29.700 -0.018 0.000 0.746 379 E HN 0.861 nan 8.360 nan 0.000 0.450 380 E N 0.455 120.683 120.200 0.047 0.000 2.106 380 E HA -0.225 4.125 4.350 0.000 0.000 0.192 380 E C 1.444 178.073 176.600 0.050 0.000 0.984 380 E CA 1.321 57.747 56.400 0.044 0.000 0.806 380 E CB -0.317 29.404 29.700 0.035 0.000 0.750 380 E HN 0.301 nan 8.360 nan 0.000 0.458 381 D N 1.715 122.150 120.400 0.059 0.000 2.117 381 D HA -0.023 4.617 4.640 0.000 0.000 0.198 381 D C 2.015 178.344 176.300 0.048 0.000 0.982 381 D CA 1.925 55.949 54.000 0.039 0.000 0.828 381 D CB -0.345 40.480 40.800 0.041 0.000 0.967 381 D HN 0.328 nan 8.370 nan 0.000 0.464 382 A N 0.456 123.348 122.820 0.120 0.000 1.933 382 A HA -0.132 4.188 4.320 0.000 0.000 0.218 382 A C 2.474 180.198 177.584 0.232 0.000 1.175 382 A CA 1.164 53.335 52.037 0.222 0.000 0.628 382 A CB -0.643 18.541 19.000 0.307 0.000 0.814 382 A HN 0.154 nan 8.150 nan 0.000 0.444 383 V N 0.308 120.306 119.914 0.141 0.000 2.379 383 V HA -0.214 3.906 4.120 0.000 0.000 0.245 383 V C 2.538 178.673 176.094 0.067 0.000 1.044 383 V CA 2.171 64.537 62.300 0.110 0.000 1.036 383 V CB -0.559 31.305 31.823 0.068 0.000 0.664 383 V HN 0.672 nan 8.190 nan 0.000 0.453 384 K N -0.096 120.321 120.400 0.028 0.000 2.097 384 K HA -0.247 4.074 4.320 0.000 0.000 0.206 384 K C 2.227 178.785 176.600 -0.070 0.000 1.049 384 K CA 1.900 58.179 56.287 -0.013 0.000 0.933 384 K CB -0.043 32.445 32.500 -0.020 0.000 0.717 384 K HN 0.526 nan 8.250 nan 0.000 0.442 385 Q N -1.011 118.709 119.800 -0.133 0.000 2.062 385 Q HA -0.078 4.262 4.340 0.000 0.000 0.196 385 Q C 1.272 177.001 176.000 -0.452 0.000 0.967 385 Q CA 1.450 57.016 55.803 -0.394 0.000 0.832 385 Q CB 0.149 28.487 28.738 -0.667 0.000 0.899 385 Q HN 0.323 nan 8.270 nan 0.000 0.442 386 F N -1.083 118.847 119.950 -0.032 0.000 2.727 386 F HA 0.372 4.899 4.527 0.000 0.000 0.302 386 F C 0.622 176.439 175.800 0.028 0.000 1.107 386 F CA 0.351 58.351 58.000 0.000 0.000 1.277 386 F CB 1.478 40.492 39.000 0.023 0.000 1.079 386 F HN 0.126 nan 8.300 nan 0.000 0.594 387 G N 0.725 109.634 108.800 0.181 0.000 3.055 387 G HA2 0.114 4.074 3.960 0.000 0.000 0.686 387 G HA3 0.114 4.074 3.960 0.000 0.000 0.686 387 G C 0.636 175.609 174.900 0.121 0.000 1.087 387 G CA -0.632 44.542 45.100 0.124 0.000 0.779 387 G HN 0.423 nan 8.290 nan 0.000 0.599 388 A N 1.654 124.520 122.820 0.078 0.000 1.940 388 A HA -0.148 4.172 4.320 0.000 0.000 0.221 388 A C 2.177 179.788 177.584 0.046 0.000 1.190 388 A CA 2.800 54.870 52.037 0.054 0.000 0.647 388 A CB -0.362 18.656 19.000 0.031 0.000 0.821 388 A HN 1.758 nan 8.150 nan 0.000 0.457 389 D N -1.128 119.306 120.400 0.057 0.000 2.355 389 D HA -0.046 4.594 4.640 0.000 0.000 0.218 389 D C 1.009 177.352 176.300 0.071 0.000 1.004 389 D CA 0.743 54.777 54.000 0.055 0.000 0.880 389 D CB -0.253 40.585 40.800 0.063 0.000 0.911 389 D HN 0.468 nan 8.370 nan 0.000 0.528 390 E N -0.096 120.156 120.200 0.087 0.000 2.501 390 E HA 0.174 4.524 4.350 0.000 0.000 0.200 390 E C 0.151 176.766 176.600 0.024 0.000 1.016 390 E CA -0.235 56.218 56.400 0.088 0.000 0.921 390 E CB 1.216 31.012 29.700 0.160 0.000 1.034 390 E HN 0.338 nan 8.360 nan 0.000 0.468 391 I N 1.046 121.625 120.570 0.014 0.000 2.509 391 I HA 0.324 4.494 4.170 0.000 0.000 0.293 391 I C -0.110 175.953 176.117 -0.090 0.000 1.020 391 I CA -0.737 60.566 61.300 0.006 0.000 1.088 391 I CB 2.097 40.153 38.000 0.093 0.000 1.267 391 I HN -0.134 nan 8.210 nan 0.000 0.430 392 E N 4.090 124.213 120.200 -0.128 0.000 2.199 392 E HA 0.573 4.923 4.350 0.000 0.000 0.269 392 E C -1.559 174.912 176.600 -0.214 0.000 0.899 392 E CA -0.487 55.764 56.400 -0.248 0.000 0.772 392 E CB 2.012 31.508 29.700 -0.340 0.000 1.155 392 E HN 0.295 nan 8.360 nan 0.000 0.408 393 V N 5.419 125.152 119.914 -0.302 0.000 2.350 393 V HA 0.405 4.525 4.120 0.000 0.000 0.285 393 V C -0.828 175.096 176.094 -0.284 0.000 1.014 393 V CA -0.667 61.520 62.300 -0.187 0.000 0.831 393 V CB 0.368 32.101 31.823 -0.150 0.000 1.000 393 V HN 0.577 nan 8.190 nan 0.000 0.433 394 F N 4.656 124.598 119.950 -0.014 0.000 2.404 394 F HA 0.634 5.161 4.527 0.000 0.000 0.345 394 F C 0.675 176.524 175.800 0.082 0.000 1.110 394 F CA -0.237 57.786 58.000 0.039 0.000 1.130 394 F CB 0.666 39.674 39.000 0.014 0.000 1.129 394 F HN 0.731 nan 8.300 nan 0.000 0.500 395 H N -0.071 119.024 119.070 0.042 0.000 3.016 395 H HA 0.938 5.494 4.556 0.000 0.000 0.362 395 H C -0.748 174.514 175.328 -0.110 0.000 1.233 395 H CA -1.548 54.419 56.048 -0.135 0.000 1.124 395 H CB 2.232 31.914 29.762 -0.133 0.000 1.850 395 H HN 0.864 nan 8.280 nan 0.000 0.549 396 G N 0.311 108.884 108.800 -0.378 0.000 2.579 396 G HA2 0.321 4.281 3.960 0.000 0.000 0.292 396 G HA3 0.321 4.281 3.960 0.000 0.000 0.292 396 G C -2.268 172.506 174.900 -0.210 0.000 1.484 396 G CA -1.019 43.936 45.100 -0.241 0.000 0.813 396 G HN 0.475 nan 8.290 nan 0.000 0.515 397 Y N -0.076 120.254 120.300 0.049 0.000 2.335 397 Y HA 0.654 5.204 4.550 0.000 0.000 0.323 397 Y C 0.526 176.451 175.900 0.042 0.000 1.224 397 Y CA 0.088 58.216 58.100 0.047 0.000 1.241 397 Y CB 1.677 40.120 38.460 -0.030 0.000 1.235 397 Y HN 0.723 nan 8.280 nan 0.000 0.492 398 Y N -1.789 118.537 120.300 0.044 0.000 2.677 398 Y HA 0.728 5.278 4.550 0.000 0.000 0.334 398 Y C -1.779 174.072 175.900 -0.081 0.000 1.154 398 Y CA -1.916 56.166 58.100 -0.030 0.000 1.070 398 Y CB 1.465 39.873 38.460 -0.087 0.000 1.294 398 Y HN 0.310 nan 8.280 nan 0.000 0.475 399 K N 1.874 122.251 120.400 -0.039 0.000 2.502 399 K HA 0.408 4.729 4.320 0.000 0.000 0.254 399 K C -3.143 173.362 176.600 -0.159 0.000 0.947 399 K CA -1.797 54.326 56.287 -0.275 0.000 0.834 399 K CB 2.095 34.429 32.500 -0.277 0.000 1.112 399 K HN 0.382 nan 8.250 nan 0.000 0.427 400 P HA 0.022 nan 4.420 nan 0.000 0.268 400 P C 0.482 177.743 177.300 -0.063 0.000 1.204 400 P CA 0.042 63.008 63.100 -0.225 0.000 0.768 400 P CB 0.663 31.927 31.700 -0.727 0.000 0.842 401 T N 1.288 115.940 114.554 0.164 0.000 2.759 401 T HA -0.174 4.176 4.350 0.000 0.000 0.269 401 T C 1.184 176.115 174.700 0.385 0.000 1.042 401 T CA 1.571 63.883 62.100 0.354 0.000 1.140 401 T CB -0.400 68.608 68.868 0.233 0.000 0.864 401 T HN 0.499 nan 8.240 nan 0.000 0.455 402 E N 0.190 120.586 120.200 0.326 0.000 2.418 402 E HA 0.103 4.453 4.350 0.000 0.000 0.197 402 E C 1.450 178.371 176.600 0.536 0.000 1.026 402 E CA 0.514 57.171 56.400 0.428 0.000 0.862 402 E CB -0.352 29.575 29.700 0.378 0.000 0.799 402 E HN 0.635 nan 8.360 nan 0.000 0.518 403 F N -1.383 118.588 119.950 0.034 0.000 2.473 403 F HA 0.049 4.576 4.527 0.000 0.000 0.294 403 F C 1.291 177.039 175.800 -0.087 0.000 1.103 403 F CA -0.193 57.764 58.000 -0.072 0.000 1.442 403 F CB 0.058 38.934 39.000 -0.207 0.000 1.097 403 F HN 0.028 nan 8.300 nan 0.000 0.547 404 F N 0.692 120.779 119.950 0.228 0.000 2.075 404 F HA -0.238 4.289 4.527 0.000 0.000 0.297 404 F C 2.280 178.087 175.800 0.011 0.000 1.113 404 F CA 1.362 59.423 58.000 0.101 0.000 1.218 404 F CB -0.651 38.393 39.000 0.074 0.000 0.984 404 F HN -0.157 nan 8.300 nan 0.000 0.472 405 I N 0.322 120.973 120.570 0.134 0.000 2.179 405 I HA -0.193 3.977 4.170 0.000 0.000 0.242 405 I C -0.568 175.476 176.117 -0.122 0.000 1.088 405 I CA 1.081 62.298 61.300 -0.139 0.000 1.357 405 I CB -1.582 36.050 38.000 -0.613 0.000 1.051 405 I HN 0.075 nan 8.210 nan 0.000 0.409 406 P HA -0.084 nan 4.420 nan 0.000 0.245 406 P C -0.282 177.017 177.300 -0.002 0.000 1.212 406 P CA 0.555 63.665 63.100 0.017 0.000 0.774 406 P CB 0.031 31.791 31.700 0.101 0.000 0.999 407 Q N -0.616 119.194 119.800 0.016 0.000 2.463 407 Q HA -0.164 4.176 4.340 0.000 0.000 0.299 407 Q C -0.538 175.440 176.000 -0.037 0.000 1.353 407 Q CA 0.660 56.470 55.803 0.011 0.000 0.828 407 Q CB -1.885 26.860 28.738 0.012 0.000 1.157 407 Q HN 0.453 nan 8.270 nan 0.000 0.436 408 K N 0.634 120.977 120.400 -0.095 0.000 2.218 408 K HA 0.343 4.663 4.320 0.000 0.000 0.276 408 K C 0.429 176.992 176.600 -0.063 0.000 1.022 408 K CA -0.210 55.947 56.287 -0.217 0.000 0.946 408 K CB 1.196 33.279 32.500 -0.694 0.000 1.000 408 K HN 0.163 nan 8.250 nan 0.000 0.468 409 S N 1.290 116.971 115.700 -0.032 0.000 2.552 409 S HA 0.003 4.473 4.470 0.000 0.000 0.289 409 S C 0.733 175.409 174.600 0.127 0.000 1.304 409 S CA -0.740 57.477 58.200 0.027 0.000 1.063 409 S CB 0.316 63.539 63.200 0.040 0.000 0.848 409 S HN 0.470 nan 8.310 nan 0.000 0.499 410 V N 4.296 124.222 119.914 0.021 0.000 3.271 410 V HA 0.405 4.525 4.120 0.000 0.000 0.327 410 V C 1.760 177.760 176.094 -0.156 0.000 1.389 410 V CA 0.109 62.373 62.300 -0.061 0.000 1.156 410 V CB -0.688 31.024 31.823 -0.184 0.000 1.103 410 V HN 0.921 nan 8.190 nan 0.000 0.453 411 R N 0.081 120.455 120.500 -0.210 0.000 2.152 411 R HA -0.073 4.267 4.340 0.000 0.000 0.232 411 R C 1.008 176.930 176.300 -0.631 0.000 1.117 411 R CA 1.961 57.746 56.100 -0.524 0.000 0.981 411 R CB -0.043 29.813 30.300 -0.740 0.000 0.870 411 R HN 0.689 nan 8.270 nan 0.000 0.451 412 Y N -1.988 118.334 120.300 0.038 0.000 2.641 412 Y HA 0.234 4.784 4.550 0.000 0.000 0.248 412 Y C -0.077 175.826 175.900 0.005 0.000 1.170 412 Y CA -0.921 57.217 58.100 0.062 0.000 1.201 412 Y CB 0.740 39.210 38.460 0.016 0.000 1.232 412 Y HN -0.046 nan 8.280 nan 0.000 0.537 413 C N 2.361 121.636 119.300 -0.042 0.000 2.311 413 C HA 0.230 4.690 4.460 0.000 0.000 0.357 413 C C -0.287 174.508 174.990 -0.326 0.000 1.086 413 C CA -0.299 58.449 59.018 -0.451 0.000 1.486 413 C CB -2.543 24.544 27.740 -1.087 0.000 1.974 413 C HN 0.363 nan 8.230 nan 0.000 0.508 414 Y N 4.289 124.438 120.300 -0.252 0.000 2.492 414 Y HA 0.768 5.318 4.550 0.000 0.000 0.346 414 Y C -0.691 175.109 175.900 -0.166 0.000 0.997 414 Y CA -1.280 56.605 58.100 -0.360 0.000 1.025 414 Y CB 0.964 39.087 38.460 -0.562 0.000 1.263 414 Y HN 0.638 nan 8.280 nan 0.000 0.454 415 L N 3.567 124.387 121.223 -0.672 0.000 2.376 415 L HA 0.857 5.197 4.340 0.000 0.000 0.258 415 L C -2.019 174.449 176.870 -0.669 0.000 1.013 415 L CA -1.159 53.338 54.840 -0.573 0.000 0.822 415 L CB 2.737 44.372 42.059 -0.706 0.000 1.388 415 L HN 0.746 nan 8.230 nan 0.000 0.413 416 K N 1.294 121.550 120.400 -0.241 0.000 2.546 416 K HA 0.858 5.178 4.320 0.000 0.000 0.264 416 K C -1.858 174.874 176.600 0.220 0.000 0.937 416 K CA -0.602 55.654 56.287 -0.052 0.000 0.833 416 K CB 2.282 34.733 32.500 -0.082 0.000 1.378 416 K HN 0.888 nan 8.250 nan 0.000 0.432 417 A N 2.511 125.465 122.820 0.223 0.000 2.287 417 A HA 0.550 4.870 4.320 0.000 0.000 0.317 417 A C -0.743 176.981 177.584 0.233 0.000 1.220 417 A CA -0.809 51.367 52.037 0.231 0.000 0.835 417 A CB 1.160 20.251 19.000 0.152 0.000 1.180 417 A HN 0.431 nan 8.150 nan 0.000 0.500 418 V N 2.110 122.153 119.914 0.214 0.000 2.406 418 V HA 0.667 4.787 4.120 0.000 0.000 0.272 418 V C 0.565 176.719 176.094 0.099 0.000 1.043 418 V CA 0.385 62.795 62.300 0.183 0.000 0.915 418 V CB 0.615 32.586 31.823 0.247 0.000 0.988 418 V HN 1.219 nan 8.190 nan 0.000 0.466 419 A N 3.638 126.459 122.820 0.002 0.000 2.566 419 A HA 0.681 5.001 4.320 0.000 0.000 0.292 419 A C -0.426 176.880 177.584 -0.464 0.000 1.112 419 A CA -0.737 51.120 52.037 -0.300 0.000 0.707 419 A CB 1.272 20.221 19.000 -0.086 0.000 1.302 419 A HN 0.768 nan 8.150 nan 0.000 0.409 420 E N 0.458 120.135 120.200 -0.873 0.000 2.415 420 E HA 0.065 4.415 4.350 0.000 0.000 0.263 420 E C 0.849 177.290 176.600 -0.265 0.000 0.995 420 E CA -0.151 55.930 56.400 -0.532 0.000 0.915 420 E CB 0.595 29.986 29.700 -0.514 0.000 0.951 420 E HN 0.644 nan 8.360 nan 0.000 0.449 421 R N 3.905 124.264 120.500 -0.234 0.000 2.073 421 R HA -0.057 4.283 4.340 0.000 0.000 0.229 421 R C 0.679 176.694 176.300 -0.476 0.000 1.120 421 R CA 1.004 56.884 56.100 -0.365 0.000 0.967 421 R CB 0.178 30.198 30.300 -0.465 0.000 0.862 421 R HN 0.624 nan 8.270 nan 0.000 0.436 422 H N -1.964 117.091 119.070 -0.026 0.000 3.513 422 H HA 0.359 4.915 4.556 0.000 0.000 0.278 422 H C 0.896 176.210 175.328 -0.023 0.000 1.683 422 H CA -0.194 55.847 56.048 -0.013 0.000 1.552 422 H CB -0.175 29.586 29.762 -0.001 0.000 1.474 422 H HN 0.302 nan 8.280 nan 0.000 0.870 423 G N 0.696 109.588 108.800 0.153 0.000 2.634 423 G HA2 -0.353 3.607 3.960 0.000 0.000 0.309 423 G HA3 -0.353 3.607 3.960 0.000 0.000 0.309 423 G C 0.428 175.345 174.900 0.029 0.000 1.265 423 G CA 0.867 46.007 45.100 0.066 0.000 0.998 423 G HN 0.641 nan 8.290 nan 0.000 0.551 424 D N 1.966 122.367 120.400 0.002 0.000 2.378 424 D HA 0.097 4.737 4.640 0.000 0.000 0.227 424 D C 1.356 177.624 176.300 -0.054 0.000 1.012 424 D CA 1.124 55.112 54.000 -0.020 0.000 0.905 424 D CB -0.127 40.662 40.800 -0.018 0.000 0.895 424 D HN 0.674 nan 8.370 nan 0.000 0.532 425 Q N 0.144 119.900 119.800 -0.073 0.000 2.423 425 Q HA -0.259 4.081 4.340 0.000 0.000 0.332 425 Q C -0.064 175.825 176.000 -0.185 0.000 1.355 425 Q CA 0.191 55.920 55.803 -0.122 0.000 0.947 425 Q CB -1.348 27.355 28.738 -0.058 0.000 1.189 425 Q HN 0.085 nan 8.270 nan 0.000 0.418 426 R N 0.497 120.857 120.500 -0.233 0.000 2.504 426 R HA 0.093 4.433 4.340 0.000 0.000 0.291 426 R C -0.609 175.420 176.300 -0.451 0.000 0.974 426 R CA 0.318 56.256 56.100 -0.270 0.000 1.077 426 R CB 0.588 30.767 30.300 -0.201 0.000 0.926 426 R HN 0.188 nan 8.270 nan 0.000 0.407 427 V N 7.838 127.602 119.914 -0.250 0.000 2.508 427 V HA 0.017 4.137 4.120 0.000 0.000 0.281 427 V C 0.659 176.701 176.094 -0.086 0.000 1.041 427 V CA 0.340 62.520 62.300 -0.201 0.000 1.016 427 V CB 0.625 32.385 31.823 -0.106 0.000 0.984 427 V HN 0.839 nan 8.190 nan 0.000 0.478 428 Y N 3.010 123.319 120.300 0.016 0.000 2.479 428 Y HA 0.432 4.982 4.550 0.000 0.000 0.283 428 Y C 1.386 177.328 175.900 0.070 0.000 1.109 428 Y CA 0.133 58.263 58.100 0.050 0.000 1.239 428 Y CB 0.838 39.344 38.460 0.077 0.000 1.108 428 Y HN 0.702 nan 8.280 nan 0.000 0.548 429 G N 0.365 109.296 108.800 0.219 0.000 2.755 429 G HA2 0.578 4.538 3.960 0.000 0.000 0.297 429 G HA3 0.578 4.538 3.960 0.000 0.000 0.297 429 G C -2.010 172.971 174.900 0.136 0.000 1.441 429 G CA -0.650 44.556 45.100 0.176 0.000 0.964 429 G HN -0.032 nan 8.290 nan 0.000 0.540 430 L N 2.070 123.253 121.223 -0.066 0.000 2.408 430 L HA 0.640 4.980 4.340 0.000 0.000 0.268 430 L C -0.838 175.950 176.870 -0.137 0.000 0.986 430 L CA -0.996 53.831 54.840 -0.022 0.000 0.820 430 L CB 2.709 44.550 42.059 -0.363 0.000 1.303 430 L HN 0.520 nan 8.230 nan 0.000 0.411 431 H N 2.471 121.769 119.070 0.380 0.000 2.856 431 H HA 0.375 4.931 4.556 0.000 0.000 0.355 431 H C -1.901 173.726 175.328 0.497 0.000 1.079 431 H CA -0.559 55.770 56.048 0.469 0.000 1.240 431 H CB 3.100 33.121 29.762 0.432 0.000 1.701 431 H HN 0.589 nan 8.280 nan 0.000 0.527 432 Y N 3.005 123.584 120.300 0.465 0.000 2.441 432 Y HA 0.442 4.992 4.550 0.000 0.000 0.334 432 Y C -1.734 174.394 175.900 0.380 0.000 1.061 432 Y CA -0.708 57.548 58.100 0.259 0.000 1.032 432 Y CB 1.178 39.748 38.460 0.183 0.000 1.266 432 Y HN 0.494 nan 8.280 nan 0.000 0.441 433 I N 6.482 127.055 120.570 0.005 0.000 2.377 433 I HA 0.855 5.025 4.170 0.000 0.000 0.293 433 I C 0.330 176.248 176.117 -0.331 0.000 0.987 433 I CA -0.335 60.974 61.300 0.015 0.000 1.185 433 I CB 1.537 39.582 38.000 0.074 0.000 1.341 433 I HN 0.893 nan 8.210 nan 0.000 0.455 434 G N 6.454 115.215 108.800 -0.065 0.000 2.345 434 G HA2 0.172 4.132 3.960 0.000 0.000 0.285 434 G HA3 0.172 4.132 3.960 0.000 0.000 0.285 434 G C -3.314 171.795 174.900 0.348 0.000 1.297 434 G CA -0.796 44.316 45.100 0.020 0.000 0.875 434 G HN 0.295 nan 8.290 nan 0.000 0.506 435 P HA 0.353 nan 4.420 nan 0.000 0.268 435 P C 0.928 178.475 177.300 0.411 0.000 1.205 435 P CA 1.403 64.736 63.100 0.388 0.000 0.771 435 P CB 1.034 32.937 31.700 0.338 0.000 0.858 436 V N -1.505 118.609 119.914 0.333 0.000 5.691 436 V HA -0.312 3.808 4.120 0.000 0.000 0.288 436 V C 1.325 177.533 176.094 0.190 0.000 0.615 436 V CA 0.970 63.423 62.300 0.255 0.000 0.619 436 V CB -2.983 28.948 31.823 0.181 0.000 0.296 436 V HN 0.742 nan 8.190 nan 0.000 0.834 437 A N 1.269 124.239 122.820 0.250 0.000 1.883 437 A HA 0.130 4.450 4.320 0.000 0.000 0.217 437 A C 2.389 179.950 177.584 -0.039 0.000 1.186 437 A CA 2.587 54.715 52.037 0.150 0.000 0.624 437 A CB -0.978 18.188 19.000 0.277 0.000 0.822 437 A HN 1.882 nan 8.150 nan 0.000 0.444 438 G N -0.576 108.216 108.800 -0.014 0.000 2.402 438 G HA2 -0.148 3.812 3.960 0.000 0.000 0.216 438 G HA3 -0.148 3.812 3.960 0.000 0.000 0.216 438 G C 1.335 176.243 174.900 0.013 0.000 1.162 438 G CA 0.961 46.051 45.100 -0.017 0.000 0.777 438 G HN 0.479 nan 8.290 nan 0.000 0.539 439 E N 0.639 120.867 120.200 0.048 0.000 2.085 439 E HA -0.103 4.247 4.350 0.000 0.000 0.194 439 E C 2.843 179.428 176.600 -0.025 0.000 0.994 439 E CA 0.822 57.235 56.400 0.021 0.000 0.801 439 E CB -0.797 28.930 29.700 0.044 0.000 0.743 439 E HN 0.328 nan 8.360 nan 0.000 0.453 440 V N 1.737 121.611 119.914 -0.067 0.000 2.270 440 V HA -0.212 3.908 4.120 0.000 0.000 0.245 440 V C 2.382 178.497 176.094 0.036 0.000 1.043 440 V CA 1.258 63.509 62.300 -0.082 0.000 1.014 440 V CB -0.331 31.251 31.823 -0.402 0.000 0.645 440 V HN 0.201 nan 8.190 nan 0.000 0.447 441 I N -0.003 120.549 120.570 -0.030 0.000 2.439 441 I HA -0.187 3.983 4.170 0.000 0.000 0.251 441 I C 2.510 178.622 176.117 -0.008 0.000 1.139 441 I CA 1.378 62.681 61.300 0.004 0.000 1.438 441 I CB -1.079 36.882 38.000 -0.065 0.000 1.085 441 I HN 0.426 nan 8.210 nan 0.000 0.427 442 Q N 1.477 121.251 119.800 -0.043 0.000 2.096 442 Q HA -0.187 4.153 4.340 0.000 0.000 0.208 442 Q C 2.179 178.118 176.000 -0.101 0.000 0.993 442 Q CA 2.530 58.296 55.803 -0.062 0.000 0.862 442 Q CB -0.801 27.905 28.738 -0.054 0.000 0.915 442 Q HN 0.464 nan 8.270 nan 0.000 0.416 443 G N -1.471 107.227 108.800 -0.171 0.000 2.422 443 G HA2 -0.188 3.772 3.960 0.000 0.000 0.218 443 G HA3 -0.188 3.772 3.960 0.000 0.000 0.218 443 G C 0.954 175.655 174.900 -0.331 0.000 1.140 443 G CA 0.601 45.535 45.100 -0.276 0.000 0.775 443 G HN 0.377 nan 8.290 nan 0.000 0.545 444 F N 1.644 121.475 119.950 -0.197 0.000 2.259 444 F HA 0.171 4.698 4.527 0.000 0.000 0.298 444 F C 2.915 178.589 175.800 -0.210 0.000 1.088 444 F CA 0.526 58.371 58.000 -0.259 0.000 1.358 444 F CB -0.328 38.401 39.000 -0.452 0.000 1.040 444 F HN 0.224 nan 8.300 nan 0.000 0.505 445 A N 0.102 122.911 122.820 -0.019 0.000 1.902 445 A HA -0.088 4.232 4.320 0.000 0.000 0.217 445 A C 2.442 179.995 177.584 -0.051 0.000 1.181 445 A CA 1.768 53.778 52.037 -0.045 0.000 0.623 445 A CB -1.255 17.711 19.000 -0.056 0.000 0.818 445 A HN 0.288 nan 8.150 nan 0.000 0.443 446 A N -0.223 122.553 122.820 -0.074 0.000 1.933 446 A HA 0.179 4.499 4.320 0.000 0.000 0.218 446 A C 2.470 180.014 177.584 -0.067 0.000 1.175 446 A CA 1.969 53.961 52.037 -0.075 0.000 0.628 446 A CB -0.909 18.035 19.000 -0.094 0.000 0.814 446 A HN 1.033 nan 8.150 nan 0.000 0.444 447 A N -0.582 122.193 122.820 -0.075 0.000 1.902 447 A HA -0.022 4.298 4.320 0.000 0.000 0.217 447 A C 2.078 179.647 177.584 -0.025 0.000 1.181 447 A CA 1.703 53.708 52.037 -0.053 0.000 0.623 447 A CB -0.543 18.436 19.000 -0.036 0.000 0.818 447 A HN 0.589 nan 8.150 nan 0.000 0.443 448 L N -0.176 121.037 121.223 -0.017 0.000 2.093 448 L HA -0.069 4.271 4.340 0.000 0.000 0.208 448 L C 2.094 178.962 176.870 -0.003 0.000 1.085 448 L CA 1.909 56.744 54.840 -0.008 0.000 0.755 448 L CB -0.566 41.487 42.059 -0.010 0.000 0.904 448 L HN 0.293 nan 8.230 nan 0.000 0.435 449 K N -0.965 119.426 120.400 -0.014 0.000 2.211 449 K HA -0.003 4.317 4.320 0.000 0.000 0.203 449 K C 1.528 178.120 176.600 -0.013 0.000 1.050 449 K CA 1.224 57.503 56.287 -0.012 0.000 0.945 449 K CB -0.008 32.477 32.500 -0.024 0.000 0.732 449 K HN 0.333 nan 8.250 nan 0.000 0.451 450 S N -0.178 115.510 115.700 -0.020 0.000 2.671 450 S HA 0.122 4.592 4.470 0.000 0.000 0.220 450 S C 0.860 175.452 174.600 -0.014 0.000 0.951 450 S CA 0.446 58.634 58.200 -0.020 0.000 0.932 450 S CB 0.648 63.829 63.200 -0.031 0.000 0.777 450 S HN 0.529 nan 8.310 nan 0.000 0.508 451 G N 1.738 110.534 108.800 -0.006 0.000 2.149 451 G HA2 -0.236 3.724 3.960 0.000 0.000 0.235 451 G HA3 -0.236 3.724 3.960 0.000 0.000 0.235 451 G C 0.017 174.907 174.900 -0.015 0.000 1.018 451 G CA -0.346 44.753 45.100 -0.002 0.000 0.728 451 G HN 0.521 nan 8.290 nan 0.000 0.508 452 L N 1.446 122.657 121.223 -0.020 0.000 2.693 452 L HA 0.175 4.515 4.340 0.000 0.000 0.292 452 L C 1.439 178.278 176.870 -0.052 0.000 1.243 452 L CA 1.781 56.604 54.840 -0.030 0.000 0.903 452 L CB 0.290 42.336 42.059 -0.021 0.000 1.160 452 L HN 0.618 nan 8.230 nan 0.000 0.496 453 T N 1.582 116.099 114.554 -0.062 0.000 2.938 453 T HA 0.356 4.706 4.350 0.000 0.000 0.285 453 T C 1.405 176.037 174.700 -0.114 0.000 1.028 453 T CA -1.062 60.984 62.100 -0.089 0.000 1.005 453 T CB 1.576 70.401 68.868 -0.072 0.000 1.157 453 T HN 0.384 nan 8.240 nan 0.000 0.550 454 I N 1.377 121.857 120.570 -0.149 0.000 2.252 454 I HA -0.140 4.030 4.170 0.000 0.000 0.245 454 I C 2.302 178.304 176.117 -0.191 0.000 1.102 454 I CA 1.130 62.292 61.300 -0.231 0.000 1.385 454 I CB -1.353 36.469 38.000 -0.296 0.000 1.064 454 I HN 0.671 nan 8.210 nan 0.000 0.414 455 N N 0.550 119.177 118.700 -0.121 0.000 2.104 455 N HA -0.152 4.588 4.740 0.000 0.000 0.190 455 N C 1.750 177.219 175.510 -0.069 0.000 1.024 455 N CA 1.930 54.929 53.050 -0.085 0.000 0.853 455 N CB -0.534 37.921 38.487 -0.053 0.000 1.008 455 N HN 0.363 nan 8.380 nan 0.000 0.424 456 T N 2.205 116.723 114.554 -0.060 0.000 2.777 456 T HA -0.074 4.276 4.350 0.000 0.000 0.266 456 T C 2.049 176.729 174.700 -0.033 0.000 1.040 456 T CA 0.467 62.542 62.100 -0.041 0.000 1.141 456 T CB -0.350 68.498 68.868 -0.034 0.000 0.868 456 T HN 0.084 nan 8.240 nan 0.000 0.444 457 L N 0.811 122.004 121.223 -0.050 0.000 2.012 457 L HA 0.039 4.379 4.340 0.000 0.000 0.210 457 L C 1.983 178.839 176.870 -0.024 0.000 1.073 457 L CA 1.697 56.524 54.840 -0.021 0.000 0.748 457 L CB -0.621 41.386 42.059 -0.088 0.000 0.891 457 L HN 0.154 nan 8.230 nan 0.000 0.431 458 I N -0.281 120.241 120.570 -0.081 0.000 3.251 458 I HA -0.061 4.109 4.170 0.000 0.000 0.277 458 I C 1.337 177.430 176.117 -0.041 0.000 1.268 458 I CA 0.590 61.841 61.300 -0.081 0.000 1.449 458 I CB -0.290 37.619 38.000 -0.152 0.000 1.083 458 I HN 0.356 nan 8.210 nan 0.000 0.464 459 N N -0.510 118.170 118.700 -0.033 0.000 2.204 459 N HA 0.134 4.874 4.740 0.000 0.000 0.219 459 N C -0.053 175.452 175.510 -0.008 0.000 1.151 459 N CA 0.146 53.184 53.050 -0.020 0.000 0.867 459 N CB 0.537 39.010 38.487 -0.024 0.000 1.043 459 N HN 0.116 nan 8.380 nan 0.000 0.516 460 T N 1.527 116.083 114.554 0.005 0.000 2.752 460 T HA 0.167 4.517 4.350 0.000 0.000 0.295 460 T C 0.722 175.436 174.700 0.023 0.000 0.923 460 T CA -0.157 61.951 62.100 0.014 0.000 1.112 460 T CB 1.544 70.432 68.868 0.033 0.000 0.884 460 T HN -0.195 nan 8.240 nan 0.000 0.525 461 V N 4.182 124.104 119.914 0.012 0.000 2.540 461 V HA 0.231 4.351 4.120 0.000 0.000 0.297 461 V C 1.430 177.544 176.094 0.033 0.000 1.024 461 V CA -0.352 61.958 62.300 0.017 0.000 1.105 461 V CB 0.281 32.109 31.823 0.008 0.000 0.938 461 V HN 1.020 nan 8.190 nan 0.000 0.482 462 G N 5.118 113.946 108.800 0.046 0.000 2.491 462 G HA2 0.378 4.338 3.960 0.000 0.000 0.238 462 G HA3 0.378 4.338 3.960 0.000 0.000 0.238 462 G C -0.316 174.631 174.900 0.079 0.000 1.277 462 G CA -0.554 44.590 45.100 0.074 0.000 0.851 462 G HN 0.684 nan 8.290 nan 0.000 0.573 463 I N 1.008 121.631 120.570 0.089 0.000 2.331 463 I HA 0.218 4.388 4.170 0.000 0.000 0.292 463 I C -0.189 176.013 176.117 0.142 0.000 0.998 463 I CA -0.626 60.727 61.300 0.089 0.000 1.267 463 I CB 1.374 39.403 38.000 0.049 0.000 1.386 463 I HN 0.492 nan 8.210 nan 0.000 0.476 464 H N 7.376 126.468 119.070 0.037 0.000 2.529 464 H HA 0.579 5.135 4.556 0.000 0.000 0.348 464 H C -2.550 172.808 175.328 0.050 0.000 1.079 464 H CA -1.899 54.177 56.048 0.046 0.000 1.198 464 H CB 1.648 31.435 29.762 0.042 0.000 1.521 464 H HN 0.322 nan 8.280 nan 0.000 0.514 465 P HA 0.322 nan 4.420 nan 0.000 0.301 465 P C -1.263 175.980 177.300 -0.096 0.000 1.348 465 P CA -0.636 62.182 63.100 -0.470 0.000 0.826 465 P CB 1.439 32.852 31.700 -0.478 0.000 0.945 466 T N -2.661 111.901 114.554 0.013 0.000 2.864 466 T HA 0.447 4.797 4.350 0.000 0.000 0.299 466 T C 0.914 175.660 174.700 0.075 0.000 1.166 466 T CA -0.187 61.945 62.100 0.054 0.000 1.007 466 T CB 1.309 70.213 68.868 0.060 0.000 1.219 466 T HN 0.312 nan 8.240 nan 0.000 0.506 467 T N -1.607 112.993 114.554 0.077 0.000 3.035 467 T HA 0.217 4.568 4.350 0.000 0.000 0.259 467 T C 2.345 177.036 174.700 -0.015 0.000 1.078 467 T CA 0.778 62.892 62.100 0.023 0.000 1.132 467 T CB -0.710 68.242 68.868 0.139 0.000 0.900 467 T HN 0.900 nan 8.240 nan 0.000 0.480 468 A N 3.005 125.860 122.820 0.059 0.000 1.948 468 A HA -0.186 4.134 4.320 0.000 0.000 0.220 468 A C 2.294 180.002 177.584 0.207 0.000 1.177 468 A CA 1.860 53.988 52.037 0.152 0.000 0.636 468 A CB -0.864 18.237 19.000 0.168 0.000 0.815 468 A HN 0.877 nan 8.150 nan 0.000 0.449 469 E N -0.367 119.910 120.200 0.128 0.000 2.333 469 E HA -0.199 4.151 4.350 0.000 0.000 0.198 469 E C 1.149 177.787 176.600 0.063 0.000 1.007 469 E CA 0.998 57.477 56.400 0.130 0.000 0.845 469 E CB -0.251 29.527 29.700 0.131 0.000 0.766 469 E HN 0.567 nan 8.360 nan 0.000 0.507 470 E N 0.481 120.647 120.200 -0.057 0.000 2.153 470 E HA -0.156 4.194 4.350 0.000 0.000 0.194 470 E C 1.602 178.081 176.600 -0.201 0.000 0.988 470 E CA 0.781 57.064 56.400 -0.194 0.000 0.811 470 E CB -0.319 29.079 29.700 -0.504 0.000 0.746 470 E HN 0.391 nan 8.360 nan 0.000 0.466 471 F N 1.231 121.079 119.950 -0.169 0.000 2.216 471 F HA -0.146 4.381 4.527 0.000 0.000 0.300 471 F C 2.698 178.396 175.800 -0.170 0.000 1.085 471 F CA 1.707 59.539 58.000 -0.280 0.000 1.326 471 F CB -0.635 37.945 39.000 -0.700 0.000 1.027 471 F HN 0.057 nan 8.300 nan 0.000 0.497 472 T N -2.788 111.844 114.554 0.130 0.000 3.088 472 T HA -0.005 4.345 4.350 0.000 0.000 0.259 472 T C 1.869 176.580 174.700 0.019 0.000 1.122 472 T CA 0.488 62.640 62.100 0.086 0.000 1.095 472 T CB -0.191 68.747 68.868 0.117 0.000 0.930 472 T HN 0.213 nan 8.240 nan 0.000 0.508 473 R N -0.282 120.221 120.500 0.004 0.000 2.312 473 R HA 0.303 4.644 4.340 0.000 0.000 0.205 473 R C -0.218 176.074 176.300 -0.013 0.000 0.904 473 R CA -0.474 55.623 56.100 -0.006 0.000 1.052 473 R CB -0.028 30.272 30.300 -0.001 0.000 1.014 473 R HN 0.271 nan 8.270 nan 0.000 0.503 474 L N 0.489 121.693 121.223 -0.031 0.000 2.578 474 L HA -0.109 4.231 4.340 0.000 0.000 0.279 474 L C 0.952 177.837 176.870 0.025 0.000 1.227 474 L CA 0.939 55.774 54.840 -0.007 0.000 0.900 474 L CB 0.974 43.023 42.059 -0.017 0.000 1.144 474 L HN 0.186 nan 8.230 nan 0.000 0.496 475 A N 4.112 127.015 122.820 0.138 0.000 2.004 475 A HA 0.302 4.622 4.320 0.000 0.000 0.175 475 A C 0.476 178.223 177.584 0.272 0.000 1.902 475 A CA -0.259 51.894 52.037 0.193 0.000 1.457 475 A CB -0.189 18.869 19.000 0.096 0.000 1.593 475 A HN 0.465 nan 8.150 nan 0.000 0.363 476 I N 3.094 123.790 120.570 0.210 0.000 2.396 476 I HA 0.273 4.443 4.170 0.000 0.000 0.289 476 I C 0.735 176.983 176.117 0.218 0.000 1.056 476 I CA 0.138 61.545 61.300 0.179 0.000 1.365 476 I CB 1.531 39.601 38.000 0.116 0.000 1.407 476 I HN 0.405 nan 8.210 nan 0.000 0.509 477 T N 2.271 116.855 114.554 0.049 0.000 2.922 477 T HA 0.320 4.670 4.350 0.000 0.000 0.285 477 T C 0.864 175.510 174.700 -0.090 0.000 1.005 477 T CA -0.895 61.100 62.100 -0.176 0.000 1.061 477 T CB 1.637 70.281 68.868 -0.372 0.000 1.007 477 T HN 0.523 nan 8.240 nan 0.000 0.502 478 K N 0.434 120.670 120.400 -0.274 0.000 2.209 478 K HA -0.096 4.224 4.320 0.000 0.000 0.204 478 K C 2.393 178.919 176.600 -0.122 0.000 1.048 478 K CA 0.866 56.989 56.287 -0.275 0.000 0.940 478 K CB -0.089 32.191 32.500 -0.366 0.000 0.729 478 K HN 0.623 nan 8.250 nan 0.000 0.451 479 R N 1.305 121.722 120.500 -0.138 0.000 2.092 479 R HA -0.118 4.222 4.340 0.000 0.000 0.231 479 R C 2.378 178.648 176.300 -0.051 0.000 1.119 479 R CA 1.788 57.832 56.100 -0.093 0.000 0.970 479 R CB -0.141 30.090 30.300 -0.116 0.000 0.864 479 R HN 0.194 nan 8.270 nan 0.000 0.440 480 S N -0.793 114.880 115.700 -0.044 0.000 2.400 480 S HA -0.056 4.414 4.470 0.000 0.000 0.232 480 S C 1.606 176.215 174.600 0.014 0.000 1.025 480 S CA 1.229 59.425 58.200 -0.008 0.000 0.993 480 S CB -0.472 62.734 63.200 0.009 0.000 0.808 480 S HN 0.659 nan 8.310 nan 0.000 0.478 481 G N 0.234 109.051 108.800 0.028 0.000 2.162 481 G HA2 -0.201 3.759 3.960 0.000 0.000 0.260 481 G HA3 -0.201 3.759 3.960 0.000 0.000 0.260 481 G C -0.143 174.797 174.900 0.068 0.000 0.976 481 G CA 0.265 45.392 45.100 0.045 0.000 0.655 481 G HN 0.503 nan 8.290 nan 0.000 0.533 482 L N 1.475 122.746 121.223 0.080 0.000 2.397 482 L HA 0.402 4.742 4.340 0.000 0.000 0.271 482 L C 0.743 177.667 176.870 0.090 0.000 1.148 482 L CA -0.989 53.893 54.840 0.071 0.000 0.825 482 L CB 0.921 43.016 42.059 0.060 0.000 1.117 482 L HN 0.223 nan 8.230 nan 0.000 0.456 483 D N 5.706 126.140 120.400 0.057 0.000 2.520 483 D HA -0.040 4.600 4.640 0.000 0.000 0.243 483 D C -1.516 174.797 176.300 0.021 0.000 1.160 483 D CA -0.633 53.392 54.000 0.041 0.000 0.877 483 D CB 1.173 41.983 40.800 0.016 0.000 1.150 483 D HN 0.352 nan 8.370 nan 0.000 0.494 484 P HA -0.007 nan 4.420 nan 0.000 0.245 484 P C -0.246 177.105 177.300 0.085 0.000 1.212 484 P CA 0.133 63.163 63.100 -0.117 0.000 0.774 484 P CB 0.122 31.520 31.700 -0.503 0.000 0.999 485 T N 1.552 116.154 114.554 0.079 0.000 3.151 485 T HA 0.334 4.684 4.350 0.000 0.000 0.332 485 T C -1.994 172.722 174.700 0.026 0.000 1.245 485 T CA -1.328 60.801 62.100 0.048 0.000 1.019 485 T CB -0.374 68.441 68.868 -0.088 0.000 1.109 485 T HN 0.068 nan 8.240 nan 0.000 0.621 486 P HA 0.000 nan 4.420 nan 0.000 0.216 486 P CA 0.000 63.126 63.100 0.043 0.000 0.800 486 P CB 0.000 31.738 31.700 0.063 0.000 0.726