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 1cp9_1_B DATA FIRST_RESID 1 DATA SEQUENCE SNVWLVGKTK ASGAKAILLN GPQFGWFNPA YTYGIGLHGA GFNIVGNTPF DATA SEQUENCE AYPAILFGHN GHVSWGSTAG FGDGVDIFAE QVSPEDPNSY LHQGQWKKML DATA SEQUENCE SRQETLNVKG EQPITFEIYR TVHGNVVKRD KTTHTAYSKA RAWDGKELTS DATA SEQUENCE LMAWVKQGQA QNWQQWLDQA QNQALTINWY YADKDGNIGY VHTGHYPDRQ DATA SEQUENCE INHDPRLPVS GTGEWDWKGI QPFANNPKVY NPKSGYIANW NNSPAKNYPA DATA SEQUENCE SDLFAFLWGS ADRVKEIDNR IEAYDKLTAD DMWAILQQTS RVDLNHRLFT DATA SEQUENCE PFLTQATQGL PSNDNSVKLV SMLQQWDGIN QLSSDGKHYI HPGSAILDIW DATA SEQUENCE LKEMLKATLG QTVPAPFDKW YLASGYETTQ EGPTGSLNIS TGAKLLYESL DATA SEQUENCE LEDKSPISQS IDLFSGQPQN DVIRKTLNTT YQKMIEKYGD NPANWQTPAT DATA SEQUENCE ALTFRENNFF GIPQALPQEN FHQNEYHNRG TENDLIVFTE EGVSAWDVVA DATA SEQUENCE PGQSGFISPQ GKPSPHYQDQ LSLYQQFGKK PLWLNSEDVA PYIESTETLI DATA SEQUENCE IER 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.730 174.600 0.216 0.000 1.055 1 S CA 0.000 58.297 58.200 0.162 0.000 1.107 1 S CB 0.000 63.262 63.200 0.103 0.000 0.593 2 N N 0.303 118.938 118.700 -0.108 0.000 2.577 2 N HA 0.876 5.617 4.740 0.003 0.000 0.285 2 N C -1.594 173.785 175.510 -0.219 0.000 1.309 2 N CA -0.922 51.986 53.050 -0.236 0.000 0.798 2 N CB 2.308 40.290 38.487 -0.842 0.000 1.463 2 N HN 0.471 nan 8.380 nan 0.000 0.518 3 V N -0.024 119.790 119.914 -0.166 0.000 3.177 3 V HA 0.648 4.769 4.120 0.003 0.000 0.287 3 V C -2.221 173.839 176.094 -0.057 0.000 1.465 3 V CA -0.605 61.473 62.300 -0.371 0.000 1.020 3 V CB 1.814 33.256 31.823 -0.636 0.000 1.152 3 V HN 0.989 nan 8.190 nan 0.000 0.448 4 W N 5.674 126.827 121.300 -0.245 0.000 3.439 4 W HA 0.833 5.495 4.660 0.003 0.000 0.323 4 W C -2.349 174.117 176.519 -0.087 0.000 1.174 4 W CA -1.013 56.243 57.345 -0.148 0.000 1.224 4 W CB 0.989 30.366 29.460 -0.137 0.000 1.348 4 W HN 0.469 nan 8.180 nan 0.000 0.498 5 L N 4.056 125.378 121.223 0.164 0.000 2.371 5 L HA 0.897 5.239 4.340 0.003 0.000 0.262 5 L C -0.079 176.886 176.870 0.158 0.000 1.006 5 L CA -1.610 53.295 54.840 0.109 0.000 0.818 5 L CB 1.493 43.620 42.059 0.113 0.000 1.354 5 L HN 0.546 nan 8.230 nan 0.000 0.415 6 V N -1.964 118.012 119.914 0.104 0.000 2.789 6 V HA 1.049 5.170 4.120 0.003 0.000 0.311 6 V C 0.147 176.272 176.094 0.051 0.000 1.073 6 V CA -0.276 62.079 62.300 0.092 0.000 0.921 6 V CB 1.114 32.971 31.823 0.057 0.000 1.009 6 V HN 0.868 nan 8.190 nan 0.000 0.426 7 G N 2.711 111.529 108.800 0.031 0.000 2.641 7 G HA2 0.371 4.333 3.960 0.003 0.000 0.239 7 G HA3 0.371 4.333 3.960 0.003 0.000 0.239 7 G C 0.585 175.479 174.900 -0.009 0.000 1.402 7 G CA -0.158 44.939 45.100 -0.006 0.000 1.046 7 G HN 1.054 nan 8.290 nan 0.000 0.565 8 K N -1.170 119.214 120.400 -0.028 0.000 2.152 8 K HA -0.085 4.237 4.320 0.003 0.000 0.206 8 K C 2.041 178.633 176.600 -0.014 0.000 1.048 8 K CA 1.886 58.160 56.287 -0.021 0.000 0.933 8 K CB -0.704 31.778 32.500 -0.030 0.000 0.721 8 K HN 0.274 nan 8.250 nan 0.000 0.447 9 T N 1.516 116.061 114.554 -0.015 0.000 2.737 9 T HA -0.035 4.316 4.350 0.003 0.000 0.265 9 T C 1.503 176.206 174.700 0.006 0.000 1.038 9 T CA 1.404 63.501 62.100 -0.005 0.000 1.144 9 T CB 0.026 68.891 68.868 -0.004 0.000 0.866 9 T HN 0.359 nan 8.240 nan 0.000 0.434 10 K N 0.492 120.900 120.400 0.014 0.000 2.353 10 K HA 0.429 4.751 4.320 0.003 0.000 0.195 10 K C 0.550 177.145 176.600 -0.010 0.000 1.031 10 K CA -0.265 56.029 56.287 0.010 0.000 1.079 10 K CB 0.638 33.156 32.500 0.031 0.000 0.857 10 K HN 0.183 nan 8.250 nan 0.000 0.535 11 A N 1.452 124.268 122.820 -0.006 0.000 2.388 11 A HA 0.242 4.563 4.320 0.003 0.000 0.257 11 A C -0.178 177.394 177.584 -0.019 0.000 1.095 11 A CA 0.016 52.045 52.037 -0.014 0.000 0.791 11 A CB 0.766 19.767 19.000 0.001 0.000 1.029 11 A HN 0.041 nan 8.150 nan 0.000 0.489 12 S N 0.809 116.489 115.700 -0.033 0.000 2.478 12 S HA 0.551 5.023 4.470 0.003 0.000 0.312 12 S C 0.898 175.485 174.600 -0.022 0.000 1.094 12 S CA 0.463 58.647 58.200 -0.028 0.000 1.081 12 S CB 0.741 63.918 63.200 -0.039 0.000 1.007 12 S HN 2.396 nan 8.310 nan 0.000 0.475 13 G N 2.612 111.405 108.800 -0.012 0.000 2.168 13 G HA2 0.007 3.969 3.960 0.003 0.000 0.257 13 G HA3 0.007 3.969 3.960 0.003 0.000 0.257 13 G C 0.144 175.044 174.900 -0.000 0.000 0.997 13 G CA 0.390 45.486 45.100 -0.007 0.000 0.708 13 G HN 1.416 nan 8.290 nan 0.000 0.520 14 A N -1.908 120.914 122.820 0.002 0.000 2.610 14 A HA 0.821 5.142 4.320 0.003 0.000 0.291 14 A C 0.529 178.127 177.584 0.023 0.000 1.086 14 A CA 0.337 52.383 52.037 0.015 0.000 0.677 14 A CB 0.630 19.636 19.000 0.010 0.000 1.278 14 A HN 0.115 nan 8.150 nan 0.000 0.414 15 K N -0.280 120.148 120.400 0.048 0.000 2.211 15 K HA 0.450 4.772 4.320 0.003 0.000 0.201 15 K C 0.451 177.076 176.600 0.041 0.000 1.052 15 K CA 1.349 57.660 56.287 0.039 0.000 0.973 15 K CB 0.399 32.923 32.500 0.039 0.000 0.766 15 K HN 0.971 nan 8.250 nan 0.000 0.466 16 A N 0.875 123.749 122.820 0.090 0.000 2.577 16 A HA 0.583 4.905 4.320 0.003 0.000 0.297 16 A C -1.525 176.115 177.584 0.093 0.000 1.060 16 A CA -0.779 51.314 52.037 0.093 0.000 0.697 16 A CB 1.029 20.090 19.000 0.102 0.000 1.281 16 A HN 0.074 nan 8.150 nan 0.000 0.402 17 I N 2.096 122.693 120.570 0.044 0.000 2.608 17 I HA 0.633 4.805 4.170 0.003 0.000 0.295 17 I C -1.214 174.893 176.117 -0.017 0.000 1.049 17 I CA -0.994 60.303 61.300 -0.004 0.000 1.063 17 I CB 2.148 40.140 38.000 -0.012 0.000 1.248 17 I HN 0.538 nan 8.210 nan 0.000 0.424 18 L N 7.161 128.340 121.223 -0.074 0.000 2.439 18 L HA 0.607 4.949 4.340 0.003 0.000 0.270 18 L C -1.992 174.754 176.870 -0.206 0.000 0.972 18 L CA -0.631 54.144 54.840 -0.108 0.000 0.836 18 L CB 1.737 43.761 42.059 -0.059 0.000 1.255 18 L HN 0.638 nan 8.230 nan 0.000 0.404 19 L N 5.711 126.695 121.223 -0.398 0.000 2.343 19 L HA 0.552 4.893 4.340 0.003 0.000 0.278 19 L C -0.919 175.501 176.870 -0.749 0.000 0.996 19 L CA -0.220 54.262 54.840 -0.595 0.000 0.831 19 L CB 1.438 42.942 42.059 -0.925 0.000 1.232 19 L HN 0.877 nan 8.230 nan 0.000 0.413 20 N N 2.590 120.998 118.700 -0.487 0.000 2.362 20 N HA 0.637 5.379 4.740 0.003 0.000 0.298 20 N C -0.409 174.834 175.510 -0.445 0.000 1.048 20 N CA -0.503 52.300 53.050 -0.412 0.000 0.858 20 N CB 1.742 40.128 38.487 -0.168 0.000 1.218 20 N HN 0.688 nan 8.380 nan 0.000 0.488 21 G N 2.970 111.511 108.800 -0.432 0.000 4.465 21 G HA2 0.289 4.250 3.960 0.003 0.000 0.330 21 G HA3 0.289 4.250 3.960 0.003 0.000 0.330 21 G C -2.808 171.908 174.900 -0.308 0.000 1.475 21 G CA -0.965 43.920 45.100 -0.357 0.000 0.955 21 G HN 0.414 nan 8.290 nan 0.000 0.516 22 P HA 0.074 nan 4.420 nan 0.000 0.263 22 P C -0.252 176.654 177.300 -0.656 0.000 1.195 22 P CA 0.505 63.319 63.100 -0.477 0.000 0.762 22 P CB 0.706 32.102 31.700 -0.506 0.000 0.799 23 Q N 2.274 121.634 119.800 -0.734 0.000 2.325 23 Q HA 0.420 4.761 4.340 0.003 0.000 0.262 23 Q C -0.494 174.930 176.000 -0.960 0.000 0.968 23 Q CA -0.226 55.175 55.803 -0.671 0.000 0.877 23 Q CB 0.931 29.532 28.738 -0.228 0.000 1.253 23 Q HN 0.455 nan 8.270 nan 0.000 0.448 24 F N 0.314 119.953 119.950 -0.519 0.000 2.856 24 F HA 0.400 4.929 4.527 0.003 0.000 0.338 24 F C 0.861 176.389 175.800 -0.453 0.000 1.100 24 F CA 0.096 57.746 58.000 -0.584 0.000 1.150 24 F CB 1.318 39.587 39.000 -1.217 0.000 1.101 24 F HN 0.749 nan 8.300 nan 0.000 0.548 25 G N -0.228 108.201 108.800 -0.617 0.000 2.592 25 G HA2 -0.125 3.837 3.960 0.003 0.000 0.684 25 G HA3 -0.125 3.837 3.960 0.003 0.000 0.684 25 G C -1.348 172.862 174.900 -1.150 0.000 1.291 25 G CA -1.208 43.497 45.100 -0.658 0.000 0.891 25 G HN 0.069 nan 8.290 nan 0.000 0.544 26 W N -0.377 120.372 121.300 -0.919 0.000 2.656 26 W HA 0.698 5.359 4.660 0.002 0.000 0.327 26 W C -0.872 175.051 176.519 -0.993 0.000 1.041 26 W CA -0.617 56.239 57.345 -0.815 0.000 1.229 26 W CB 1.844 30.723 29.460 -0.969 0.000 1.397 26 W HN 0.455 nan 8.180 nan 0.000 0.479 27 F N 1.143 121.262 119.950 0.282 0.000 2.643 27 F HA 0.300 4.829 4.527 0.002 0.000 0.314 27 F C -0.198 175.821 175.800 0.365 0.000 1.096 27 F CA -1.139 57.046 58.000 0.308 0.000 0.953 27 F CB 1.723 40.866 39.000 0.239 0.000 1.345 27 F HN 0.124 nan 8.300 nan 0.000 0.468 28 N N 1.380 120.359 118.700 0.466 0.000 2.448 28 N HA 0.546 5.288 4.740 0.003 0.000 0.279 28 N C -3.086 172.546 175.510 0.202 0.000 1.025 28 N CA -1.938 51.293 53.050 0.302 0.000 0.898 28 N CB 2.064 40.721 38.487 0.283 0.000 1.303 28 N HN 0.047 nan 8.380 nan 0.000 0.495 29 P HA 0.138 nan 4.420 nan 0.000 0.272 29 P C -0.755 176.619 177.300 0.122 0.000 1.254 29 P CA -0.352 62.783 63.100 0.058 0.000 0.795 29 P CB 0.437 32.155 31.700 0.030 0.000 1.022 30 A N 0.157 123.023 122.820 0.077 0.000 2.466 30 A HA -0.037 4.284 4.320 0.003 0.000 0.238 30 A C 0.879 178.506 177.584 0.072 0.000 1.074 30 A CA 0.200 52.316 52.037 0.132 0.000 0.774 30 A CB -0.824 18.217 19.000 0.069 0.000 1.015 30 A HN 0.673 nan 8.150 nan 0.000 0.498 31 Y N 1.890 122.187 120.300 -0.006 0.000 2.163 31 Y HA -0.071 4.481 4.550 0.003 0.000 0.288 31 Y C 1.886 177.553 175.900 -0.387 0.000 1.136 31 Y CA 2.236 60.185 58.100 -0.251 0.000 1.147 31 Y CB -0.153 38.250 38.460 -0.095 0.000 0.987 31 Y HN 0.779 nan 8.280 nan 0.000 0.509 32 T N -2.228 112.315 114.554 -0.018 0.000 2.912 32 T HA 0.312 4.663 4.350 0.003 0.000 0.280 32 T C -1.401 173.310 174.700 0.019 0.000 0.989 32 T CA -0.522 61.548 62.100 -0.050 0.000 0.995 32 T CB 1.683 70.648 68.868 0.161 0.000 1.077 32 T HN 0.181 nan 8.240 nan 0.000 0.531 33 Y N -0.407 119.816 120.300 -0.129 0.000 2.421 33 Y HA 0.574 5.125 4.550 0.001 0.000 0.339 33 Y C 0.099 175.966 175.900 -0.055 0.000 0.996 33 Y CA -0.743 57.297 58.100 -0.100 0.000 1.046 33 Y CB 1.563 39.939 38.460 -0.141 0.000 1.226 33 Y HN 1.129 nan 8.280 nan 0.000 0.445 34 G N 4.644 113.180 108.800 -0.441 0.000 2.444 34 G HA2 0.513 4.475 3.960 0.003 0.000 0.268 34 G HA3 0.513 4.475 3.960 0.003 0.000 0.268 34 G C -1.625 173.069 174.900 -0.344 0.000 1.203 34 G CA -0.198 44.719 45.100 -0.304 0.000 0.835 34 G HN 0.722 nan 8.290 nan 0.000 0.543 35 I N -0.329 120.166 120.570 -0.126 0.000 2.842 35 I HA 0.661 4.833 4.170 0.003 0.000 0.296 35 I C -0.377 175.713 176.117 -0.044 0.000 1.538 35 I CA -0.444 60.823 61.300 -0.055 0.000 0.994 35 I CB 2.116 40.158 38.000 0.069 0.000 1.372 35 I HN 0.853 nan 8.210 nan 0.000 0.478 36 G N 6.255 115.032 108.800 -0.039 0.000 2.666 36 G HA2 0.674 4.635 3.960 0.003 0.000 0.303 36 G HA3 0.674 4.635 3.960 0.003 0.000 0.303 36 G C -1.901 172.833 174.900 -0.278 0.000 1.412 36 G CA -0.543 44.494 45.100 -0.106 0.000 0.979 36 G HN 0.591 nan 8.290 nan 0.000 0.507 37 L N 3.344 124.278 121.223 -0.482 0.000 2.325 37 L HA 0.489 4.831 4.340 0.003 0.000 0.281 37 L C -0.760 175.789 176.870 -0.534 0.000 1.004 37 L CA -0.937 53.683 54.840 -0.367 0.000 0.823 37 L CB 1.774 43.668 42.059 -0.274 0.000 1.236 37 L HN 0.481 nan 8.230 nan 0.000 0.415 38 H N 3.083 122.202 119.070 0.083 0.000 2.970 38 H HA 0.675 5.232 4.556 0.002 0.000 0.315 38 H C 0.105 175.498 175.328 0.109 0.000 0.992 38 H CA -0.533 55.578 56.048 0.105 0.000 1.363 38 H CB 2.036 31.841 29.762 0.071 0.000 1.532 38 H HN 0.821 nan 8.280 nan 0.000 0.514 39 G N 0.586 109.520 108.800 0.223 0.000 2.334 39 G HA2 0.354 4.316 3.960 0.003 0.000 0.566 39 G HA3 0.354 4.316 3.960 0.003 0.000 0.566 39 G C -0.095 174.931 174.900 0.209 0.000 1.413 39 G CA -0.352 44.854 45.100 0.177 0.000 0.993 39 G HN 1.042 nan 8.290 nan 0.000 0.642 40 A N -1.131 121.778 122.820 0.149 0.000 2.872 40 A HA 0.405 4.726 4.320 0.003 0.000 0.273 40 A C 2.404 180.042 177.584 0.091 0.000 1.442 40 A CA 2.055 54.180 52.037 0.146 0.000 0.801 40 A CB -1.563 17.561 19.000 0.206 0.000 1.031 40 A HN 3.299 nan 8.150 nan 0.000 0.582 41 G N -4.026 104.776 108.800 0.004 0.000 2.175 41 G HA2 -0.130 3.832 3.960 0.003 0.000 0.244 41 G HA3 -0.130 3.832 3.960 0.003 0.000 0.244 41 G C -0.047 174.626 174.900 -0.378 0.000 0.982 41 G CA 0.423 45.408 45.100 -0.193 0.000 0.641 41 G HN 1.403 nan 8.290 nan 0.000 0.527 42 F N 0.185 120.153 119.950 0.029 0.000 2.492 42 F HA 0.760 5.289 4.527 0.003 0.000 0.327 42 F C 0.429 176.253 175.800 0.040 0.000 1.079 42 F CA -1.280 56.734 58.000 0.023 0.000 0.967 42 F CB 2.269 41.264 39.000 -0.010 0.000 1.169 42 F HN -0.021 nan 8.300 nan 0.000 0.472 43 N N 2.976 121.823 118.700 0.244 0.000 2.946 43 N HA 0.360 5.102 4.740 0.003 0.000 0.213 43 N C -1.829 173.772 175.510 0.151 0.000 1.440 43 N CA 0.027 53.196 53.050 0.199 0.000 0.745 43 N CB 0.215 38.843 38.487 0.235 0.000 1.471 43 N HN 0.488 nan 8.380 nan 0.000 0.569 44 I N 0.424 121.015 120.570 0.034 0.000 2.608 44 I HA 0.583 4.755 4.170 0.003 0.000 0.295 44 I C -0.739 175.315 176.117 -0.104 0.000 1.049 44 I CA -1.275 60.051 61.300 0.043 0.000 1.063 44 I CB 2.410 40.538 38.000 0.213 0.000 1.248 44 I HN -0.048 nan 8.210 nan 0.000 0.424 45 V N 4.455 124.264 119.914 -0.176 0.000 2.760 45 V HA 0.999 5.120 4.120 0.003 0.000 0.309 45 V C -0.209 175.793 176.094 -0.155 0.000 1.077 45 V CA 0.283 62.488 62.300 -0.157 0.000 0.910 45 V CB 1.667 33.402 31.823 -0.145 0.000 1.008 45 V HN 1.033 nan 8.190 nan 0.000 0.424 46 G N 4.936 113.696 108.800 -0.067 0.000 2.356 46 G HA2 0.357 4.318 3.960 0.003 0.000 0.281 46 G HA3 0.357 4.318 3.960 0.003 0.000 0.281 46 G C -1.562 173.350 174.900 0.021 0.000 1.246 46 G CA -0.195 44.896 45.100 -0.014 0.000 0.889 46 G HN 1.507 nan 8.290 nan 0.000 0.486 47 N N -1.659 117.104 118.700 0.104 0.000 2.277 47 N HA 0.709 5.450 4.740 0.003 0.000 0.286 47 N C -1.091 174.531 175.510 0.187 0.000 1.140 47 N CA -0.305 52.816 53.050 0.118 0.000 0.799 47 N CB 2.624 41.176 38.487 0.110 0.000 1.596 47 N HN 0.684 nan 8.380 nan 0.000 0.473 48 T N 0.068 114.678 114.554 0.094 0.000 2.894 48 T HA 0.575 4.926 4.350 0.003 0.000 0.309 48 T C -3.048 171.519 174.700 -0.221 0.000 1.208 48 T CA -1.609 60.458 62.100 -0.057 0.000 1.016 48 T CB 1.410 70.199 68.868 -0.131 0.000 1.192 48 T HN 0.434 nan 8.240 nan 0.000 0.491 49 P HA 0.325 nan 4.420 nan 0.000 0.268 49 P C -0.047 176.525 177.300 -1.213 0.000 1.204 49 P CA 0.159 62.771 63.100 -0.814 0.000 0.768 49 P CB -0.191 31.083 31.700 -0.710 0.000 0.842 50 F N 1.278 120.651 119.950 -0.962 0.000 3.093 50 F HA -0.301 4.227 4.527 0.002 0.000 0.283 50 F C 1.302 176.758 175.800 -0.574 0.000 0.848 50 F CA 1.018 58.585 58.000 -0.721 0.000 1.059 50 F CB -2.450 36.166 39.000 -0.640 0.000 1.191 50 F HN 0.560 nan 8.300 nan 0.000 0.514 51 A N -2.608 119.960 122.820 -0.420 0.000 2.822 51 A HA -0.258 4.063 4.320 0.003 0.000 0.287 51 A C 0.470 177.960 177.584 -0.156 0.000 1.479 51 A CA 0.984 52.831 52.037 -0.317 0.000 0.779 51 A CB -2.460 16.153 19.000 -0.645 0.000 1.022 51 A HN 0.545 nan 8.150 nan 0.000 0.532 52 Y N -1.675 118.545 120.300 -0.133 0.000 2.550 52 Y HA 0.259 4.810 4.550 0.002 0.000 0.343 52 Y C -0.459 175.346 175.900 -0.159 0.000 1.245 52 Y CA -0.852 57.155 58.100 -0.156 0.000 1.462 52 Y CB -0.401 37.927 38.460 -0.219 0.000 1.340 52 Y HN 0.119 nan 8.280 nan 0.000 0.604 53 P HA -0.102 nan 4.420 nan 0.000 0.218 53 P C -0.316 176.936 177.300 -0.081 0.000 1.148 53 P CA 1.768 64.829 63.100 -0.066 0.000 0.822 53 P CB 0.157 31.813 31.700 -0.073 0.000 0.784 54 A N 0.101 122.876 122.820 -0.076 0.000 2.354 54 A HA 0.291 4.612 4.320 0.003 0.000 0.281 54 A C 0.069 177.564 177.584 -0.148 0.000 1.174 54 A CA -0.256 51.698 52.037 -0.139 0.000 0.828 54 A CB -0.607 18.227 19.000 -0.276 0.000 1.099 54 A HN 0.037 nan 8.150 nan 0.000 0.516 55 I N 4.660 125.182 120.570 -0.081 0.000 2.291 55 I HA 0.052 4.224 4.170 0.003 0.000 0.292 55 I C 0.870 176.998 176.117 0.019 0.000 1.064 55 I CA -0.185 61.115 61.300 -0.001 0.000 1.269 55 I CB 0.837 38.925 38.000 0.146 0.000 1.418 55 I HN 0.719 nan 8.210 nan 0.000 0.485 56 L N 5.744 126.795 121.223 -0.287 0.000 2.109 56 L HA -0.025 4.317 4.340 0.003 0.000 0.207 56 L C 0.131 176.826 176.870 -0.291 0.000 1.086 56 L CA 1.407 55.952 54.840 -0.493 0.000 0.760 56 L CB -0.328 41.037 42.059 -1.158 0.000 0.910 56 L HN 0.431 nan 8.230 nan 0.000 0.437 57 F N 0.222 120.383 119.950 0.353 0.000 2.366 57 F HA 0.678 5.206 4.527 0.002 0.000 0.366 57 F C 0.584 176.370 175.800 -0.023 0.000 1.096 57 F CA -1.029 57.068 58.000 0.161 0.000 1.060 57 F CB 0.931 40.010 39.000 0.130 0.000 1.282 57 F HN -0.095 nan 8.300 nan 0.000 0.450 58 G N 1.740 110.346 108.800 -0.322 0.000 2.348 58 G HA2 0.521 4.482 3.960 0.003 0.000 0.296 58 G HA3 0.521 4.482 3.960 0.003 0.000 0.296 58 G C -2.027 172.099 174.900 -1.290 0.000 1.258 58 G CA -0.719 44.078 45.100 -0.504 0.000 0.868 58 G HN 0.793 nan 8.290 nan 0.000 0.488 59 H N -2.383 116.114 119.070 -0.954 0.000 2.990 59 H HA 0.689 5.247 4.556 0.003 0.000 0.336 59 H C -0.074 175.185 175.328 -0.115 0.000 1.306 59 H CA -0.436 55.140 56.048 -0.786 0.000 1.118 59 H CB 1.514 31.008 29.762 -0.448 0.000 1.856 59 H HN 0.543 nan 8.280 nan 0.000 0.538 60 N N -0.375 118.443 118.700 0.197 0.000 2.197 60 N HA 0.253 4.994 4.740 0.003 0.000 0.228 60 N C 1.132 176.845 175.510 0.338 0.000 1.212 60 N CA 0.071 53.291 53.050 0.283 0.000 0.883 60 N CB 1.244 40.006 38.487 0.458 0.000 1.107 60 N HN 1.199 nan 8.380 nan 0.000 0.519 61 G N -0.263 108.785 108.800 0.413 0.000 2.241 61 G HA2 -0.346 3.615 3.960 0.003 0.000 0.244 61 G HA3 -0.346 3.615 3.960 0.003 0.000 0.244 61 G C 0.688 175.727 174.900 0.231 0.000 0.998 61 G CA 0.606 45.908 45.100 0.336 0.000 0.621 61 G HN 0.544 nan 8.290 nan 0.000 0.519 62 H N -1.355 117.946 119.070 0.385 0.000 2.657 62 H HA 0.588 5.145 4.556 0.002 0.000 0.262 62 H C 0.447 175.778 175.328 0.006 0.000 0.965 62 H CA 0.800 56.965 56.048 0.194 0.000 1.184 62 H CB 1.179 31.030 29.762 0.148 0.000 1.443 62 H HN 0.376 nan 8.280 nan 0.000 0.462 63 V N 1.247 121.374 119.914 0.356 0.000 2.760 63 V HA 0.424 4.546 4.120 0.003 0.000 0.309 63 V C -0.608 175.736 176.094 0.418 0.000 1.077 63 V CA -0.847 61.553 62.300 0.166 0.000 0.910 63 V CB 2.039 33.986 31.823 0.208 0.000 1.008 63 V HN 0.411 nan 8.190 nan 0.000 0.424 64 S N 2.977 118.840 115.700 0.270 0.000 2.621 64 S HA 0.947 5.418 4.470 0.003 0.000 0.302 64 S C -1.141 173.486 174.600 0.045 0.000 1.093 64 S CA -0.630 57.558 58.200 -0.021 0.000 1.017 64 S CB 2.238 65.424 63.200 -0.023 0.000 1.077 64 S HN 1.137 nan 8.310 nan 0.000 0.517 65 W N -0.740 120.655 121.300 0.159 0.000 2.959 65 W HA 0.871 5.532 4.660 0.002 0.000 0.358 65 W C -0.407 176.305 176.519 0.321 0.000 1.228 65 W CA -0.598 56.881 57.345 0.224 0.000 1.183 65 W CB 0.586 30.208 29.460 0.271 0.000 1.467 65 W HN 1.087 nan 8.180 nan 0.000 0.578 66 G N 0.177 109.415 108.800 0.730 0.000 2.554 66 G HA2 0.752 4.713 3.960 0.003 0.000 0.306 66 G HA3 0.752 4.713 3.960 0.003 0.000 0.306 66 G C -1.231 174.240 174.900 0.951 0.000 1.320 66 G CA -0.307 45.246 45.100 0.756 0.000 0.800 66 G HN 1.613 nan 8.290 nan 0.000 0.481 67 S N -1.832 114.462 115.700 0.990 0.000 2.615 67 S HA 0.863 5.335 4.470 0.003 0.000 0.268 67 S C -0.772 174.334 174.600 0.844 0.000 1.146 67 S CA 0.259 59.084 58.200 1.042 0.000 0.818 67 S CB 1.565 65.359 63.200 0.990 0.000 1.111 67 S HN 2.167 nan 8.310 nan 0.000 0.465 68 T N -1.473 113.571 114.554 0.817 0.000 2.900 68 T HA 0.827 5.179 4.350 0.003 0.000 0.303 68 T C -0.057 174.961 174.700 0.530 0.000 1.142 68 T CA -0.433 62.013 62.100 0.577 0.000 1.007 68 T CB 1.181 70.368 68.868 0.531 0.000 1.156 68 T HN 1.802 nan 8.240 nan 0.000 0.490 69 A N 0.862 123.941 122.820 0.431 0.000 2.477 69 A HA 0.580 4.901 4.320 0.003 0.000 0.246 69 A C 1.522 179.345 177.584 0.398 0.000 1.078 69 A CA 0.081 52.302 52.037 0.308 0.000 0.770 69 A CB -0.361 18.729 19.000 0.150 0.000 1.011 69 A HN 1.340 nan 8.150 nan 0.000 0.494 70 G N 0.535 109.501 108.800 0.276 0.000 2.464 70 G HA2 0.166 4.128 3.960 0.003 0.000 0.217 70 G HA3 0.166 4.128 3.960 0.003 0.000 0.217 70 G C 0.469 175.789 174.900 0.700 0.000 1.138 70 G CA 0.523 45.930 45.100 0.513 0.000 0.793 70 G HN 0.863 nan 8.290 nan 0.000 0.539 71 F N -0.075 120.043 119.950 0.279 0.000 3.100 71 F HA -0.198 4.330 4.527 0.003 0.000 0.284 71 F C 1.683 177.575 175.800 0.153 0.000 0.875 71 F CA -0.031 57.956 58.000 -0.022 0.000 1.039 71 F CB -1.513 37.118 39.000 -0.615 0.000 1.111 71 F HN 0.319 nan 8.300 nan 0.000 0.575 72 G N -0.322 108.800 108.800 0.537 0.000 2.588 72 G HA2 0.370 4.332 3.960 0.003 0.000 0.278 72 G HA3 0.370 4.332 3.960 0.003 0.000 0.278 72 G C -0.738 174.346 174.900 0.308 0.000 1.307 72 G CA 0.066 45.480 45.100 0.524 0.000 1.016 72 G HN 0.171 nan 8.290 nan 0.000 0.503 73 D N -0.943 119.595 120.400 0.230 0.000 2.462 73 D HA 0.417 5.058 4.640 0.003 0.000 0.249 73 D C 0.664 177.144 176.300 0.300 0.000 1.117 73 D CA -0.501 53.616 54.000 0.194 0.000 0.900 73 D CB 0.534 41.360 40.800 0.043 0.000 1.039 73 D HN 0.399 nan 8.370 nan 0.000 0.516 74 G N 1.816 110.815 108.800 0.331 0.000 3.774 74 G HA2 0.353 4.314 3.960 0.003 0.000 0.287 74 G HA3 0.353 4.314 3.960 0.003 0.000 0.287 74 G C -0.379 174.660 174.900 0.231 0.000 1.030 74 G CA -0.199 45.030 45.100 0.214 0.000 0.824 74 G HN 0.307 nan 8.290 nan 0.000 0.518 75 V N 1.064 121.138 119.914 0.267 0.000 2.532 75 V HA 0.378 4.499 4.120 0.003 0.000 0.294 75 V C -1.558 174.712 176.094 0.294 0.000 1.036 75 V CA -1.028 61.451 62.300 0.299 0.000 0.876 75 V CB 1.847 33.817 31.823 0.244 0.000 1.012 75 V HN 0.073 nan 8.190 nan 0.000 0.432 76 D N 3.725 124.377 120.400 0.419 0.000 2.350 76 D HA 0.585 5.226 4.640 0.003 0.000 0.238 76 D C -0.531 175.859 176.300 0.150 0.000 0.989 76 D CA -0.441 53.729 54.000 0.283 0.000 0.921 76 D CB 2.496 43.553 40.800 0.429 0.000 1.297 76 D HN 0.179 nan 8.370 nan 0.000 0.490 77 I N 1.207 121.784 120.570 0.011 0.000 2.353 77 I HA 0.309 4.481 4.170 0.003 0.000 0.293 77 I C -0.230 175.789 176.117 -0.163 0.000 0.992 77 I CA -0.463 60.843 61.300 0.011 0.000 1.268 77 I CB 0.165 38.158 38.000 -0.012 0.000 1.387 77 I HN 0.166 nan 8.210 nan 0.000 0.478 78 F N 3.852 123.781 119.950 -0.036 0.000 2.426 78 F HA 0.539 5.067 4.527 0.003 0.000 0.348 78 F C 0.600 176.381 175.800 -0.031 0.000 1.124 78 F CA -0.679 57.218 58.000 -0.172 0.000 1.008 78 F CB 1.737 40.397 39.000 -0.566 0.000 1.139 78 F HN 0.522 nan 8.300 nan 0.000 0.452 79 A N 4.269 127.142 122.820 0.088 0.000 2.527 79 A HA 0.345 4.666 4.320 0.003 0.000 0.313 79 A C 0.001 177.566 177.584 -0.032 0.000 1.410 79 A CA -0.636 51.376 52.037 -0.041 0.000 1.060 79 A CB -0.340 18.634 19.000 -0.044 0.000 1.137 79 A HN 0.583 nan 8.150 nan 0.000 0.542 80 E N 1.540 121.714 120.200 -0.044 0.000 2.373 80 E HA 0.034 4.385 4.350 0.003 0.000 0.267 80 E C -0.079 176.552 176.600 0.052 0.000 1.032 80 E CA 0.007 56.428 56.400 0.035 0.000 0.889 80 E CB 0.876 30.556 29.700 -0.033 0.000 0.984 80 E HN 0.743 nan 8.360 nan 0.000 0.425 81 Q N 2.391 122.263 119.800 0.120 0.000 2.337 81 Q HA 0.234 4.575 4.340 0.003 0.000 0.255 81 Q C -0.894 175.266 176.000 0.266 0.000 0.997 81 Q CA -0.376 55.513 55.803 0.143 0.000 0.925 81 Q CB 0.847 29.640 28.738 0.091 0.000 1.212 81 Q HN 0.239 nan 8.270 nan 0.000 0.436 82 V N 3.351 123.447 119.914 0.304 0.000 2.607 82 V HA 0.127 4.249 4.120 0.003 0.000 0.289 82 V C 0.243 176.589 176.094 0.420 0.000 1.053 82 V CA -0.151 62.373 62.300 0.374 0.000 0.996 82 V CB 1.764 33.716 31.823 0.216 0.000 0.995 82 V HN 0.867 nan 8.190 nan 0.000 0.476 83 S N 6.814 122.725 115.700 0.351 0.000 2.549 83 S HA 0.168 4.640 4.470 0.003 0.000 0.283 83 S C -1.045 173.510 174.600 -0.074 0.000 1.320 83 S CA -0.842 57.250 58.200 -0.181 0.000 1.058 83 S CB 0.849 63.786 63.200 -0.438 0.000 0.882 83 S HN 0.710 nan 8.310 nan 0.000 0.498 84 P HA -0.008 nan 4.420 nan 0.000 0.234 84 P C 0.078 177.361 177.300 -0.029 0.000 1.167 84 P CA 0.930 63.942 63.100 -0.147 0.000 0.763 84 P CB 0.083 31.561 31.700 -0.371 0.000 0.835 85 E N -1.107 119.033 120.200 -0.101 0.000 2.676 85 E HA 0.104 4.455 4.350 0.003 0.000 0.222 85 E C -0.352 176.208 176.600 -0.067 0.000 0.968 85 E CA -0.028 56.326 56.400 -0.077 0.000 1.090 85 E CB 0.551 30.185 29.700 -0.110 0.000 1.066 85 E HN -0.000 nan 8.360 nan 0.000 0.496 86 D N 0.522 120.886 120.400 -0.060 0.000 2.351 86 D HA 0.067 4.709 4.640 0.003 0.000 0.235 86 D C -2.149 174.155 176.300 0.007 0.000 1.331 86 D CA -1.749 52.231 54.000 -0.032 0.000 0.959 86 D CB 1.353 42.127 40.800 -0.044 0.000 1.432 86 D HN -0.191 nan 8.370 nan 0.000 0.544 87 P HA -0.053 nan 4.420 nan 0.000 0.228 87 P C 0.326 177.585 177.300 -0.069 0.000 1.151 87 P CA 0.511 63.605 63.100 -0.012 0.000 0.770 87 P CB 0.456 32.127 31.700 -0.050 0.000 0.786 88 N N -0.805 117.845 118.700 -0.083 0.000 2.268 88 N HA 0.048 4.789 4.740 0.003 0.000 0.204 88 N C 0.099 175.669 175.510 0.101 0.000 1.124 88 N CA 0.288 53.272 53.050 -0.109 0.000 0.838 88 N CB 0.196 38.588 38.487 -0.159 0.000 0.994 88 N HN 0.024 nan 8.380 nan 0.000 0.489 89 S N 0.535 116.342 115.700 0.178 0.000 2.502 89 S HA 0.544 5.015 4.470 0.003 0.000 0.304 89 S C -1.316 173.589 174.600 0.510 0.000 1.097 89 S CA -0.709 57.665 58.200 0.290 0.000 1.045 89 S CB 0.358 63.674 63.200 0.195 0.000 1.019 89 S HN 0.256 nan 8.310 nan 0.000 0.481 90 Y N 2.576 123.059 120.300 0.304 0.000 2.576 90 Y HA 0.788 5.340 4.550 0.003 0.000 0.346 90 Y C -1.217 174.508 175.900 -0.291 0.000 1.018 90 Y CA -1.768 56.426 58.100 0.156 0.000 1.050 90 Y CB 0.585 39.072 38.460 0.045 0.000 1.280 90 Y HN 0.458 nan 8.280 nan 0.000 0.474 91 L N 4.462 125.155 121.223 -0.883 0.000 2.281 91 L HA 0.450 4.792 4.340 0.003 0.000 0.285 91 L C -0.992 175.612 176.870 -0.443 0.000 1.074 91 L CA 0.181 54.292 54.840 -1.214 0.000 0.817 91 L CB -0.021 41.145 42.059 -1.489 0.000 1.168 91 L HN 0.901 nan 8.230 nan 0.000 0.434 92 H N 5.095 123.852 119.070 -0.521 0.000 2.966 92 H HA 0.190 4.747 4.556 0.003 0.000 0.347 92 H C -0.748 174.440 175.328 -0.233 0.000 1.048 92 H CA -0.326 55.570 56.048 -0.253 0.000 1.295 92 H CB 1.153 30.825 29.762 -0.149 0.000 1.744 92 H HN 0.773 nan 8.280 nan 0.000 0.513 93 Q N 3.086 122.472 119.800 -0.691 0.000 2.453 93 Q HA -0.253 4.089 4.340 0.003 0.000 0.294 93 Q C 0.906 176.732 176.000 -0.290 0.000 1.295 93 Q CA 1.141 56.650 55.803 -0.490 0.000 0.853 93 Q CB -1.394 27.029 28.738 -0.525 0.000 1.193 93 Q HN 1.172 nan 8.270 nan 0.000 0.461 94 G N -1.189 107.450 108.800 -0.267 0.000 2.217 94 G HA2 -0.317 3.644 3.960 0.003 0.000 0.246 94 G HA3 -0.317 3.644 3.960 0.003 0.000 0.246 94 G C -0.052 174.725 174.900 -0.205 0.000 0.990 94 G CA 0.453 45.434 45.100 -0.199 0.000 0.627 94 G HN 0.391 nan 8.290 nan 0.000 0.522 95 Q N -1.434 118.205 119.800 -0.268 0.000 2.377 95 Q HA 0.576 4.917 4.340 0.003 0.000 0.271 95 Q C -1.089 174.672 176.000 -0.398 0.000 1.077 95 Q CA -0.961 54.704 55.803 -0.230 0.000 0.820 95 Q CB 1.623 30.272 28.738 -0.148 0.000 1.347 95 Q HN 0.292 nan 8.270 nan 0.000 0.444 96 W N 2.669 123.886 121.300 -0.139 0.000 2.433 96 W HA 0.269 4.931 4.660 0.002 0.000 0.331 96 W C -0.136 176.253 176.519 -0.218 0.000 1.110 96 W CA -0.211 57.032 57.345 -0.170 0.000 1.450 96 W CB 0.660 30.057 29.460 -0.104 0.000 1.348 96 W HN 0.226 nan 8.180 nan 0.000 0.415 97 K N 2.973 123.194 120.400 -0.298 0.000 2.110 97 K HA 0.376 4.698 4.320 0.003 0.000 0.263 97 K C -0.120 176.383 176.600 -0.162 0.000 0.975 97 K CA -1.263 54.828 56.287 -0.327 0.000 0.895 97 K CB 1.320 33.456 32.500 -0.607 0.000 1.060 97 K HN -0.048 nan 8.250 nan 0.000 0.448 98 K N 2.446 122.850 120.400 0.005 0.000 2.205 98 K HA 0.215 4.537 4.320 0.003 0.000 0.279 98 K C -0.241 176.492 176.600 0.223 0.000 1.027 98 K CA -0.011 56.345 56.287 0.115 0.000 0.932 98 K CB 0.700 33.249 32.500 0.082 0.000 1.032 98 K HN 0.479 nan 8.250 nan 0.000 0.466 99 M N 4.161 123.934 119.600 0.288 0.000 2.243 99 M HA 0.147 4.628 4.480 0.003 0.000 0.341 99 M C -0.065 176.352 176.300 0.195 0.000 1.130 99 M CA -0.234 55.228 55.300 0.270 0.000 1.162 99 M CB 0.525 33.237 32.600 0.187 0.000 1.497 99 M HN 0.368 nan 8.290 nan 0.000 0.456 100 L N 1.829 123.135 121.223 0.138 0.000 2.452 100 L HA 0.298 4.639 4.340 0.003 0.000 0.267 100 L C 0.399 177.333 176.870 0.106 0.000 1.188 100 L CA -0.055 54.835 54.840 0.085 0.000 0.821 100 L CB 0.957 43.033 42.059 0.028 0.000 1.102 100 L HN 0.858 nan 8.230 nan 0.000 0.470 101 S N 2.461 118.185 115.700 0.040 0.000 2.638 101 S HA 0.865 5.336 4.470 0.003 0.000 0.274 101 S C -1.001 173.522 174.600 -0.128 0.000 1.157 101 S CA -1.029 57.135 58.200 -0.061 0.000 0.826 101 S CB 2.697 65.900 63.200 0.006 0.000 1.139 101 S HN 0.785 nan 8.310 nan 0.000 0.474 102 R N 0.267 120.625 120.500 -0.238 0.000 2.604 102 R HA 0.447 4.789 4.340 0.003 0.000 0.261 102 R C -1.886 174.233 176.300 -0.302 0.000 1.080 102 R CA -0.792 55.180 56.100 -0.214 0.000 0.917 102 R CB 0.986 31.178 30.300 -0.180 0.000 1.252 102 R HN 0.545 nan 8.270 nan 0.000 0.456 103 Q N 1.979 121.632 119.800 -0.245 0.000 2.256 103 Q HA 0.334 4.675 4.340 0.003 0.000 0.254 103 Q C -0.737 175.073 176.000 -0.317 0.000 0.916 103 Q CA -0.266 55.368 55.803 -0.282 0.000 0.932 103 Q CB 1.762 30.400 28.738 -0.166 0.000 1.207 103 Q HN 0.501 nan 8.270 nan 0.000 0.426 104 E N 1.428 121.334 120.200 -0.489 0.000 2.210 104 E HA 0.421 4.772 4.350 0.003 0.000 0.266 104 E C -0.884 175.603 176.600 -0.190 0.000 0.883 104 E CA -0.478 55.685 56.400 -0.395 0.000 0.761 104 E CB 2.028 31.366 29.700 -0.603 0.000 1.156 104 E HN 0.327 nan 8.360 nan 0.000 0.412 105 T N 2.992 117.514 114.554 -0.054 0.000 2.770 105 T HA 0.396 4.747 4.350 0.003 0.000 0.283 105 T C -0.328 174.409 174.700 0.061 0.000 0.988 105 T CA -0.591 61.524 62.100 0.025 0.000 0.957 105 T CB 0.439 69.307 68.868 -0.001 0.000 0.930 105 T HN 0.049 nan 8.240 nan 0.000 0.443 106 L N 4.454 125.740 121.223 0.104 0.000 2.265 106 L HA 0.373 4.714 4.340 0.003 0.000 0.289 106 L C 0.530 177.426 176.870 0.044 0.000 1.033 106 L CA -0.230 54.659 54.840 0.082 0.000 0.814 106 L CB 0.462 42.577 42.059 0.093 0.000 1.203 106 L HN 0.580 nan 8.230 nan 0.000 0.423 107 N N 2.023 120.739 118.700 0.027 0.000 2.530 107 N HA 0.434 5.175 4.740 0.003 0.000 0.273 107 N C -1.024 174.493 175.510 0.013 0.000 1.173 107 N CA -0.370 52.690 53.050 0.017 0.000 0.967 107 N CB 1.329 39.823 38.487 0.011 0.000 1.109 107 N HN 0.221 nan 8.380 nan 0.000 0.453 108 V N 2.349 122.269 119.914 0.010 0.000 2.482 108 V HA 0.167 4.289 4.120 0.003 0.000 0.295 108 V C 0.103 176.199 176.094 0.004 0.000 1.026 108 V CA -0.901 61.402 62.300 0.004 0.000 0.856 108 V CB 1.494 33.319 31.823 0.002 0.000 1.001 108 V HN 0.615 nan 8.190 nan 0.000 0.424 109 K N 3.086 123.488 120.400 0.003 0.000 2.491 109 K HA 0.233 4.555 4.320 0.003 0.000 0.279 109 K C 1.283 177.885 176.600 0.003 0.000 1.026 109 K CA 1.396 57.685 56.287 0.003 0.000 1.070 109 K CB 0.052 32.554 32.500 0.003 0.000 0.887 109 K HN 1.213 nan 8.250 nan 0.000 0.481 110 G N 2.701 111.503 108.800 0.003 0.000 2.184 110 G HA2 -0.217 3.745 3.960 0.003 0.000 0.264 110 G HA3 -0.217 3.745 3.960 0.003 0.000 0.264 110 G C -0.322 174.580 174.900 0.003 0.000 0.975 110 G CA 0.551 45.653 45.100 0.003 0.000 0.642 110 G HN 0.640 nan 8.290 nan 0.000 0.536 111 E N -0.503 119.699 120.200 0.004 0.000 2.423 111 E HA 0.505 4.856 4.350 0.003 0.000 0.269 111 E C -0.327 176.277 176.600 0.006 0.000 0.948 111 E CA -0.898 55.504 56.400 0.004 0.000 0.802 111 E CB 0.545 30.246 29.700 0.003 0.000 1.339 111 E HN 0.189 nan 8.360 nan 0.000 0.445 112 Q N 1.538 121.343 119.800 0.008 0.000 2.299 112 Q HA 0.334 4.675 4.340 0.003 0.000 0.246 112 Q C -1.956 174.053 176.000 0.014 0.000 0.935 112 Q CA -1.668 54.141 55.803 0.010 0.000 0.887 112 Q CB 0.026 28.770 28.738 0.010 0.000 1.223 112 Q HN 0.245 nan 8.270 nan 0.000 0.439 113 P HA 0.124 nan 4.420 nan 0.000 0.268 113 P C -0.503 176.817 177.300 0.033 0.000 1.208 113 P CA 0.303 63.417 63.100 0.023 0.000 0.777 113 P CB 0.653 32.365 31.700 0.020 0.000 0.875 114 I N 1.272 121.871 120.570 0.050 0.000 2.433 114 I HA 0.292 4.464 4.170 0.003 0.000 0.292 114 I C 0.282 176.475 176.117 0.126 0.000 1.001 114 I CA -0.342 61.001 61.300 0.072 0.000 1.119 114 I CB 2.090 40.123 38.000 0.056 0.000 1.289 114 I HN 0.203 nan 8.210 nan 0.000 0.438 115 T N 5.958 120.588 114.554 0.127 0.000 2.856 115 T HA 0.722 5.074 4.350 0.003 0.000 0.283 115 T C -0.729 174.100 174.700 0.215 0.000 1.008 115 T CA -0.446 61.732 62.100 0.130 0.000 0.997 115 T CB 1.452 70.338 68.868 0.030 0.000 0.992 115 T HN 0.418 nan 8.240 nan 0.000 0.454 116 F N -0.381 119.550 119.950 -0.033 0.000 2.664 116 F HA 0.838 5.366 4.527 0.002 0.000 0.317 116 F C -0.831 174.920 175.800 -0.081 0.000 1.108 116 F CA -1.484 56.493 58.000 -0.038 0.000 0.957 116 F CB 1.458 40.441 39.000 -0.028 0.000 1.365 116 F HN 0.510 nan 8.300 nan 0.000 0.475 117 E N 1.309 121.410 120.200 -0.166 0.000 2.199 117 E HA 0.686 5.037 4.350 0.003 0.000 0.269 117 E C -1.620 174.657 176.600 -0.538 0.000 0.899 117 E CA -0.817 55.327 56.400 -0.427 0.000 0.772 117 E CB 1.844 31.338 29.700 -0.345 0.000 1.155 117 E HN 0.684 nan 8.360 nan 0.000 0.408 118 I N 3.987 124.166 120.570 -0.652 0.000 2.433 118 I HA 0.320 4.492 4.170 0.003 0.000 0.292 118 I C -1.147 174.610 176.117 -0.600 0.000 1.001 118 I CA -0.818 60.196 61.300 -0.476 0.000 1.119 118 I CB 1.011 38.843 38.000 -0.280 0.000 1.289 118 I HN 0.494 nan 8.210 nan 0.000 0.438 119 Y N 4.494 124.788 120.300 -0.011 0.000 2.446 119 Y HA 0.725 5.277 4.550 0.003 0.000 0.338 119 Y C -0.008 175.868 175.900 -0.039 0.000 1.055 119 Y CA -0.893 57.195 58.100 -0.019 0.000 1.101 119 Y CB 1.727 40.184 38.460 -0.004 0.000 1.221 119 Y HN 0.459 nan 8.280 nan 0.000 0.460 120 R N 0.824 121.384 120.500 0.101 0.000 2.604 120 R HA 0.604 4.945 4.340 0.003 0.000 0.281 120 R C -0.900 175.361 176.300 -0.065 0.000 1.020 120 R CA -0.462 55.635 56.100 -0.005 0.000 0.899 120 R CB 1.559 31.841 30.300 -0.030 0.000 1.205 120 R HN 0.897 nan 8.270 nan 0.000 0.450 121 T N -0.812 113.627 114.554 -0.192 0.000 2.876 121 T HA 0.184 4.535 4.350 0.003 0.000 0.277 121 T C 0.928 175.454 174.700 -0.290 0.000 0.997 121 T CA -0.447 61.436 62.100 -0.363 0.000 0.966 121 T CB 1.038 69.378 68.868 -0.880 0.000 1.312 121 T HN 0.259 nan 8.240 nan 0.000 0.598 122 V N 0.678 120.371 119.914 -0.369 0.000 2.594 122 V HA -0.108 4.014 4.120 0.003 0.000 0.253 122 V C 2.059 177.764 176.094 -0.649 0.000 1.069 122 V CA 1.987 63.992 62.300 -0.492 0.000 1.082 122 V CB -1.256 30.150 31.823 -0.695 0.000 0.680 122 V HN 0.941 nan 8.190 nan 0.000 0.469 123 H N -0.726 118.053 119.070 -0.485 0.000 2.547 123 H HA 0.515 5.073 4.556 0.003 0.000 0.272 123 H C 0.861 175.974 175.328 -0.360 0.000 0.971 123 H CA 0.574 56.283 56.048 -0.565 0.000 1.245 123 H CB 0.479 29.766 29.762 -0.791 0.000 1.440 123 H HN 0.587 nan 8.280 nan 0.000 0.540 124 G N -0.477 108.224 108.800 -0.165 0.000 2.352 124 G HA2 -0.095 3.866 3.960 0.003 0.000 0.283 124 G HA3 -0.095 3.866 3.960 0.003 0.000 0.283 124 G C -1.591 173.261 174.900 -0.079 0.000 1.308 124 G CA -1.167 43.861 45.100 -0.120 0.000 0.892 124 G HN 0.071 nan 8.290 nan 0.000 0.504 125 N N -0.610 118.065 118.700 -0.042 0.000 2.508 125 N HA 0.432 5.173 4.740 0.003 0.000 0.264 125 N C 0.374 175.903 175.510 0.031 0.000 1.216 125 N CA -0.233 52.815 53.050 -0.004 0.000 0.943 125 N CB 1.574 40.069 38.487 0.013 0.000 1.113 125 N HN 0.456 nan 8.380 nan 0.000 0.447 126 V N 2.249 122.200 119.914 0.062 0.000 2.508 126 V HA 0.038 4.160 4.120 0.003 0.000 0.281 126 V C 1.137 177.304 176.094 0.121 0.000 1.041 126 V CA -0.004 62.352 62.300 0.092 0.000 1.016 126 V CB 1.180 33.079 31.823 0.126 0.000 0.984 126 V HN 0.488 nan 8.190 nan 0.000 0.478 127 V N 4.498 124.492 119.914 0.133 0.000 3.523 127 V HA 0.283 4.405 4.120 0.003 0.000 0.255 127 V C 0.486 176.670 176.094 0.150 0.000 1.226 127 V CA 0.798 63.176 62.300 0.131 0.000 1.092 127 V CB 0.313 32.206 31.823 0.116 0.000 0.817 127 V HN 0.896 nan 8.190 nan 0.000 0.458 128 K N 0.006 120.525 120.400 0.198 0.000 2.610 128 K HA 0.499 4.820 4.320 0.003 0.000 0.278 128 K C -1.417 175.326 176.600 0.239 0.000 0.964 128 K CA -0.677 55.741 56.287 0.218 0.000 0.859 128 K CB 1.957 34.599 32.500 0.237 0.000 1.434 128 K HN 0.012 nan 8.250 nan 0.000 0.410 129 R N 1.085 121.687 120.500 0.170 0.000 2.807 129 R HA 0.325 4.667 4.340 0.003 0.000 0.276 129 R C -1.598 174.751 176.300 0.081 0.000 0.979 129 R CA -1.012 55.137 56.100 0.081 0.000 0.928 129 R CB 1.723 32.046 30.300 0.039 0.000 1.191 129 R HN 0.557 nan 8.270 nan 0.000 0.471 130 D N 1.486 121.886 120.400 0.000 0.000 2.473 130 D HA 0.109 4.751 4.640 0.003 0.000 0.253 130 D C 0.331 176.588 176.300 -0.071 0.000 1.233 130 D CA -0.538 53.467 54.000 0.008 0.000 0.908 130 D CB 1.320 42.144 40.800 0.040 0.000 1.170 130 D HN 0.566 nan 8.370 nan 0.000 0.558 131 K N 1.186 121.538 120.400 -0.080 0.000 2.155 131 K HA -0.120 4.202 4.320 0.003 0.000 0.203 131 K C 1.622 178.052 176.600 -0.283 0.000 1.052 131 K CA 1.391 57.574 56.287 -0.173 0.000 0.948 131 K CB -0.398 32.030 32.500 -0.120 0.000 0.728 131 K HN 0.331 nan 8.250 nan 0.000 0.448 132 T N 0.374 114.835 114.554 -0.154 0.000 2.737 132 T HA -0.169 4.183 4.350 0.003 0.000 0.269 132 T C 1.878 176.503 174.700 -0.125 0.000 1.040 132 T CA 1.890 63.916 62.100 -0.123 0.000 1.142 132 T CB -0.839 68.007 68.868 -0.037 0.000 0.861 132 T HN 0.493 nan 8.240 nan 0.000 0.456 133 T N -2.296 112.201 114.554 -0.095 0.000 3.176 133 T HA 0.279 4.631 4.350 0.003 0.000 0.263 133 T C 0.013 174.743 174.700 0.051 0.000 1.021 133 T CA -0.164 61.940 62.100 0.005 0.000 0.905 133 T CB -0.875 68.004 68.868 0.019 0.000 1.057 133 T HN 0.639 nan 8.240 nan 0.000 0.558 134 H N 0.851 119.922 119.070 0.000 0.000 2.604 134 H HA -0.123 4.435 4.556 0.003 0.000 0.321 134 H C -0.343 174.973 175.328 -0.020 0.000 1.132 134 H CA 1.087 57.140 56.048 0.009 0.000 1.129 134 H CB -2.234 27.555 29.762 0.046 0.000 1.526 134 H HN 0.448 nan 8.280 nan 0.000 0.415 135 T N -0.162 114.355 114.554 -0.061 0.000 2.887 135 T HA 0.808 5.160 4.350 0.003 0.000 0.288 135 T C 0.076 174.649 174.700 -0.212 0.000 1.021 135 T CA -0.200 61.786 62.100 -0.190 0.000 1.000 135 T CB 2.230 70.854 68.868 -0.406 0.000 1.034 135 T HN 0.498 nan 8.240 nan 0.000 0.467 136 A N 2.479 125.164 122.820 -0.225 0.000 2.457 136 A HA 0.642 4.964 4.320 0.003 0.000 0.283 136 A C -1.275 176.223 177.584 -0.143 0.000 1.166 136 A CA -0.718 51.242 52.037 -0.129 0.000 0.740 136 A CB 0.282 19.241 19.000 -0.068 0.000 1.181 136 A HN 0.756 nan 8.150 nan 0.000 0.446 137 Y N 1.553 121.871 120.300 0.029 0.000 2.346 137 Y HA 0.438 4.990 4.550 0.003 0.000 0.330 137 Y C 1.244 177.161 175.900 0.027 0.000 1.178 137 Y CA 0.667 58.785 58.100 0.030 0.000 1.331 137 Y CB 1.314 39.796 38.460 0.037 0.000 1.253 137 Y HN 0.713 nan 8.280 nan 0.000 0.529 138 S N 2.759 118.578 115.700 0.198 0.000 2.536 138 S HA 0.499 4.970 4.470 0.003 0.000 0.287 138 S C -1.109 173.575 174.600 0.140 0.000 1.101 138 S CA -1.309 56.961 58.200 0.117 0.000 0.950 138 S CB 1.718 64.936 63.200 0.030 0.000 1.056 138 S HN 0.625 nan 8.310 nan 0.000 0.481 139 K N 1.907 122.360 120.400 0.089 0.000 2.267 139 K HA 0.583 4.904 4.320 0.003 0.000 0.282 139 K C -0.433 176.188 176.600 0.034 0.000 1.078 139 K CA -0.478 55.858 56.287 0.082 0.000 0.903 139 K CB 0.650 33.187 32.500 0.061 0.000 1.111 139 K HN 0.832 nan 8.250 nan 0.000 0.475 140 A N 5.271 128.147 122.820 0.094 0.000 2.260 140 A HA 0.430 4.752 4.320 0.003 0.000 0.308 140 A C -0.698 176.949 177.584 0.104 0.000 1.254 140 A CA -0.735 51.286 52.037 -0.027 0.000 0.874 140 A CB 0.474 19.351 19.000 -0.204 0.000 1.153 140 A HN 0.831 nan 8.150 nan 0.000 0.527 141 R N 2.215 122.672 120.500 -0.072 0.000 2.494 141 R HA 0.523 4.864 4.340 0.003 0.000 0.305 141 R C 0.864 177.125 176.300 -0.065 0.000 0.959 141 R CA -0.052 55.884 56.100 -0.274 0.000 0.864 141 R CB 1.823 31.392 30.300 -1.217 0.000 1.159 141 R HN 0.737 nan 8.270 nan 0.000 0.446 142 A N 3.529 126.399 122.820 0.083 0.000 2.121 142 A HA -0.088 4.233 4.320 0.003 0.000 0.218 142 A C 0.871 178.518 177.584 0.105 0.000 1.154 142 A CA 0.631 52.745 52.037 0.128 0.000 0.679 142 A CB -0.371 18.587 19.000 -0.070 0.000 0.795 142 A HN 0.941 nan 8.150 nan 0.000 0.458 143 W N -0.685 120.632 121.300 0.029 0.000 3.220 143 W HA 0.276 4.937 4.660 0.003 0.000 0.328 143 W C -0.384 176.126 176.519 -0.016 0.000 1.205 143 W CA -0.430 56.878 57.345 -0.061 0.000 1.773 143 W CB -1.175 28.212 29.460 -0.122 0.000 1.086 143 W HN 0.330 nan 8.180 nan 0.000 0.622 144 D N 1.148 121.408 120.400 -0.232 0.000 2.493 144 D HA 0.271 4.913 4.640 0.003 0.000 0.240 144 D C 1.661 177.953 176.300 -0.014 0.000 1.142 144 D CA 2.929 56.824 54.000 -0.175 0.000 0.872 144 D CB 0.588 41.235 40.800 -0.254 0.000 1.173 144 D HN 0.266 nan 8.370 nan 0.000 0.467 145 G N 3.546 112.357 108.800 0.019 0.000 2.234 145 G HA2 -0.355 3.606 3.960 0.003 0.000 0.260 145 G HA3 -0.355 3.606 3.960 0.003 0.000 0.260 145 G C 0.917 175.839 174.900 0.037 0.000 0.987 145 G CA 0.561 45.674 45.100 0.021 0.000 0.625 145 G HN 0.582 nan 8.290 nan 0.000 0.532 146 K N 0.023 120.461 120.400 0.064 0.000 2.414 146 K HA 0.332 4.653 4.320 0.003 0.000 0.204 146 K C 1.577 178.194 176.600 0.028 0.000 1.026 146 K CA 0.219 56.520 56.287 0.023 0.000 1.108 146 K CB 0.406 32.884 32.500 -0.036 0.000 0.855 146 K HN 0.352 nan 8.250 nan 0.000 0.517 147 E N 1.044 121.302 120.200 0.096 0.000 2.023 147 E HA -0.180 4.172 4.350 0.003 0.000 0.196 147 E C 1.581 178.186 176.600 0.009 0.000 1.003 147 E CA 1.189 57.634 56.400 0.076 0.000 0.809 147 E CB 0.018 29.788 29.700 0.116 0.000 0.755 147 E HN 0.073 nan 8.360 nan 0.000 0.449 148 L N 0.954 122.181 121.223 0.007 0.000 2.046 148 L HA -0.139 4.203 4.340 0.003 0.000 0.208 148 L C 2.475 179.336 176.870 -0.014 0.000 1.077 148 L CA 2.248 57.083 54.840 -0.009 0.000 0.747 148 L CB -1.934 40.121 42.059 -0.007 0.000 0.896 148 L HN 0.386 nan 8.230 nan 0.000 0.432 149 T N -3.892 110.648 114.554 -0.024 0.000 2.833 149 T HA -0.108 4.244 4.350 0.003 0.000 0.269 149 T C 2.081 176.746 174.700 -0.059 0.000 1.054 149 T CA 1.341 63.416 62.100 -0.042 0.000 1.135 149 T CB -0.293 68.543 68.868 -0.053 0.000 0.869 149 T HN 0.138 nan 8.240 nan 0.000 0.466 150 S N 1.656 117.313 115.700 -0.072 0.000 2.371 150 S HA 0.067 4.539 4.470 0.003 0.000 0.224 150 S C 1.874 176.512 174.600 0.064 0.000 1.029 150 S CA 0.878 59.025 58.200 -0.088 0.000 0.978 150 S CB -0.459 62.658 63.200 -0.139 0.000 0.833 150 S HN 0.477 nan 8.310 nan 0.000 0.466 151 L N 1.368 122.629 121.223 0.064 0.000 2.083 151 L HA 0.047 4.389 4.340 0.003 0.000 0.209 151 L C 1.851 178.789 176.870 0.113 0.000 1.083 151 L CA 1.862 56.757 54.840 0.093 0.000 0.752 151 L CB -0.793 41.250 42.059 -0.027 0.000 0.899 151 L HN 0.173 nan 8.230 nan 0.000 0.433 152 M N -0.252 119.383 119.600 0.059 0.000 2.349 152 M HA 0.068 4.549 4.480 0.003 0.000 0.266 152 M C 2.373 178.710 176.300 0.060 0.000 1.076 152 M CA 1.360 56.691 55.300 0.052 0.000 1.126 152 M CB -1.600 31.012 32.600 0.019 0.000 1.392 152 M HN 0.480 nan 8.290 nan 0.000 0.440 153 A N -0.799 122.048 122.820 0.046 0.000 1.969 153 A HA -0.164 4.158 4.320 0.003 0.000 0.218 153 A C 2.001 179.672 177.584 0.146 0.000 1.169 153 A CA 0.806 52.854 52.037 0.018 0.000 0.635 153 A CB -0.854 18.093 19.000 -0.089 0.000 0.810 153 A HN 0.593 nan 8.150 nan 0.000 0.445 154 W N 0.460 121.782 121.300 0.037 0.000 2.402 154 W HA -0.109 4.553 4.660 0.004 0.000 0.286 154 W C 2.361 178.796 176.519 -0.140 0.000 1.221 154 W CA 1.798 59.136 57.345 -0.010 0.000 1.257 154 W CB -0.416 29.059 29.460 0.026 0.000 1.120 154 W HN 0.319 nan 8.180 nan 0.000 0.551 155 V N -0.167 119.843 119.914 0.159 0.000 2.649 155 V HA -0.107 4.015 4.120 0.003 0.000 0.248 155 V C 1.994 178.145 176.094 0.096 0.000 1.054 155 V CA 1.642 64.000 62.300 0.096 0.000 1.073 155 V CB -0.392 31.492 31.823 0.102 0.000 0.699 155 V HN -0.030 nan 8.190 nan 0.000 0.463 156 K N 0.808 121.241 120.400 0.054 0.000 2.217 156 K HA -0.138 4.184 4.320 0.003 0.000 0.202 156 K C 2.209 178.760 176.600 -0.082 0.000 1.051 156 K CA 1.564 57.843 56.287 -0.014 0.000 0.952 156 K CB -0.170 32.314 32.500 -0.026 0.000 0.736 156 K HN 0.816 nan 8.250 nan 0.000 0.453 157 Q N 0.170 119.884 119.800 -0.143 0.000 2.226 157 Q HA -0.075 4.267 4.340 0.003 0.000 0.204 157 Q C 1.778 177.596 176.000 -0.303 0.000 0.975 157 Q CA 1.766 57.443 55.803 -0.211 0.000 0.866 157 Q CB -0.648 27.775 28.738 -0.525 0.000 0.915 157 Q HN 0.204 nan 8.270 nan 0.000 0.440 158 G N 0.320 108.826 108.800 -0.489 0.000 2.559 158 G HA2 -0.188 3.773 3.960 0.003 0.000 0.216 158 G HA3 -0.188 3.773 3.960 0.003 0.000 0.216 158 G C 1.054 175.879 174.900 -0.126 0.000 1.126 158 G CA 0.476 45.162 45.100 -0.689 0.000 0.778 158 G HN 0.497 nan 8.290 nan 0.000 0.543 159 Q N -0.260 119.497 119.800 -0.071 0.000 2.247 159 Q HA 0.438 4.779 4.340 0.003 0.000 0.211 159 Q C 1.042 177.059 176.000 0.027 0.000 0.861 159 Q CA -0.252 55.527 55.803 -0.040 0.000 0.949 159 Q CB 0.926 29.544 28.738 -0.200 0.000 1.115 159 Q HN 0.342 nan 8.270 nan 0.000 0.507 160 A N 1.227 124.108 122.820 0.101 0.000 2.531 160 A HA -0.004 4.318 4.320 0.003 0.000 0.236 160 A C 0.765 178.480 177.584 0.218 0.000 1.062 160 A CA 0.236 52.389 52.037 0.193 0.000 0.760 160 A CB 0.358 19.594 19.000 0.393 0.000 0.995 160 A HN 0.156 nan 8.150 nan 0.000 0.501 161 Q N 0.298 120.198 119.800 0.167 0.000 2.214 161 Q HA 0.120 4.461 4.340 0.003 0.000 0.229 161 Q C -0.538 175.594 176.000 0.220 0.000 0.835 161 Q CA 0.416 56.297 55.803 0.131 0.000 0.953 161 Q CB 0.351 29.071 28.738 -0.030 0.000 1.131 161 Q HN 1.002 nan 8.270 nan 0.000 0.501 162 N N -2.730 116.143 118.700 0.288 0.000 3.106 162 N HA 0.013 4.755 4.740 0.003 0.000 0.253 162 N C -0.240 175.466 175.510 0.327 0.000 1.506 162 N CA -0.807 52.446 53.050 0.339 0.000 0.876 162 N CB -0.119 38.492 38.487 0.208 0.000 1.452 162 N HN -0.017 nan 8.380 nan 0.000 0.542 163 W N -0.045 121.192 121.300 -0.106 0.000 2.358 163 W HA -0.174 4.488 4.660 0.002 0.000 0.303 163 W C 1.277 177.695 176.519 -0.168 0.000 1.208 163 W CA 2.244 59.297 57.345 -0.485 0.000 1.274 163 W CB 0.076 29.009 29.460 -0.879 0.000 1.138 163 W HN 0.755 nan 8.180 nan 0.000 0.515 164 Q N 0.847 120.592 119.800 -0.091 0.000 2.119 164 Q HA -0.226 4.116 4.340 0.003 0.000 0.201 164 Q C 2.304 178.229 176.000 -0.124 0.000 0.972 164 Q CA 2.136 57.837 55.803 -0.170 0.000 0.847 164 Q CB -0.783 27.916 28.738 -0.065 0.000 0.903 164 Q HN 0.416 nan 8.270 nan 0.000 0.433 165 Q N -1.738 118.055 119.800 -0.012 0.000 2.170 165 Q HA -0.170 4.171 4.340 0.003 0.000 0.203 165 Q C 1.520 177.546 176.000 0.043 0.000 0.976 165 Q CA 1.308 57.119 55.803 0.013 0.000 0.858 165 Q CB -0.280 28.499 28.738 0.068 0.000 0.907 165 Q HN 0.503 nan 8.270 nan 0.000 0.433 166 W N 0.784 122.008 121.300 -0.127 0.000 2.453 166 W HA -0.028 4.633 4.660 0.002 0.000 0.289 166 W C 1.477 177.867 176.519 -0.216 0.000 1.215 166 W CA 0.787 58.077 57.345 -0.091 0.000 1.297 166 W CB -0.059 29.431 29.460 0.050 0.000 1.113 166 W HN -0.004 nan 8.180 nan 0.000 0.551 167 L N 0.395 121.431 121.223 -0.313 0.000 2.131 167 L HA -0.215 4.127 4.340 0.003 0.000 0.210 167 L C 1.836 178.399 176.870 -0.512 0.000 1.092 167 L CA 1.403 55.950 54.840 -0.488 0.000 0.759 167 L CB -0.783 40.971 42.059 -0.509 0.000 0.903 167 L HN -0.126 nan 8.230 nan 0.000 0.435 168 D N -0.576 119.608 120.400 -0.360 0.000 2.309 168 D HA -0.152 4.489 4.640 0.003 0.000 0.212 168 D C 2.222 178.312 176.300 -0.351 0.000 0.968 168 D CA 0.825 54.626 54.000 -0.332 0.000 0.882 168 D CB 0.092 40.770 40.800 -0.204 0.000 0.918 168 D HN 0.357 nan 8.370 nan 0.000 0.503 169 Q N -0.254 119.336 119.800 -0.350 0.000 2.324 169 Q HA 0.221 4.563 4.340 0.003 0.000 0.207 169 Q C 2.186 177.915 176.000 -0.452 0.000 0.928 169 Q CA 0.576 56.203 55.803 -0.293 0.000 0.890 169 Q CB -0.361 28.279 28.738 -0.164 0.000 1.001 169 Q HN 0.188 nan 8.270 nan 0.000 0.517 170 A N 2.200 124.641 122.820 -0.632 0.000 1.940 170 A HA -0.272 4.050 4.320 0.003 0.000 0.219 170 A C 2.121 179.137 177.584 -0.946 0.000 1.176 170 A CA 2.012 53.451 52.037 -0.995 0.000 0.631 170 A CB -0.660 17.818 19.000 -0.870 0.000 0.814 170 A HN 0.537 nan 8.150 nan 0.000 0.446 171 Q N -0.923 118.162 119.800 -1.193 0.000 2.291 171 Q HA -0.138 4.204 4.340 0.003 0.000 0.206 171 Q C 0.807 176.499 176.000 -0.514 0.000 0.976 171 Q CA 1.552 56.583 55.803 -1.287 0.000 0.875 171 Q CB -0.343 27.566 28.738 -1.382 0.000 0.927 171 Q HN 0.571 nan 8.270 nan 0.000 0.450 172 N N 0.131 118.559 118.700 -0.454 0.000 2.280 172 N HA 0.004 4.746 4.740 0.003 0.000 0.192 172 N C -0.236 175.049 175.510 -0.375 0.000 1.109 172 N CA 0.199 53.081 53.050 -0.281 0.000 0.855 172 N CB 0.473 38.826 38.487 -0.225 0.000 0.974 172 N HN 0.236 nan 8.380 nan 0.000 0.482 173 Q N 0.819 120.294 119.800 -0.542 0.000 2.322 173 Q HA 0.376 4.718 4.340 0.003 0.000 0.256 173 Q C 0.017 175.629 176.000 -0.647 0.000 0.960 173 Q CA -0.242 55.177 55.803 -0.640 0.000 0.934 173 Q CB 1.395 29.492 28.738 -1.070 0.000 1.200 173 Q HN 0.172 nan 8.270 nan 0.000 0.435 174 A N 5.293 127.737 122.820 -0.626 0.000 2.267 174 A HA 0.221 4.542 4.320 0.003 0.000 0.213 174 A C 0.606 177.940 177.584 -0.417 0.000 1.192 174 A CA -0.016 51.624 52.037 -0.661 0.000 0.851 174 A CB 0.287 18.830 19.000 -0.760 0.000 0.881 174 A HN 0.650 nan 8.150 nan 0.000 0.494 175 L N -0.591 120.355 121.223 -0.463 0.000 2.418 175 L HA 0.261 4.603 4.340 0.003 0.000 0.265 175 L C 0.819 177.469 176.870 -0.366 0.000 1.143 175 L CA -0.398 54.146 54.840 -0.494 0.000 0.809 175 L CB 0.806 42.562 42.059 -0.505 0.000 1.124 175 L HN 0.021 nan 8.230 nan 0.000 0.456 176 T N 3.862 118.279 114.554 -0.228 0.000 3.182 176 T HA 0.356 4.708 4.350 0.003 0.000 0.274 176 T C -0.309 174.319 174.700 -0.119 0.000 0.997 176 T CA -0.294 61.758 62.100 -0.081 0.000 1.082 176 T CB -0.906 68.085 68.868 0.206 0.000 1.005 176 T HN 0.188 nan 8.240 nan 0.000 0.688 177 I N 4.469 124.898 120.570 -0.235 0.000 2.533 177 I HA 0.406 4.578 4.170 0.003 0.000 0.290 177 I C -0.052 175.996 176.117 -0.115 0.000 1.056 177 I CA -1.189 60.059 61.300 -0.085 0.000 1.057 177 I CB 1.968 39.880 38.000 -0.147 0.000 1.240 177 I HN 0.425 nan 8.210 nan 0.000 0.423 178 N N 4.622 123.450 118.700 0.214 0.000 2.514 178 N HA 0.273 5.014 4.740 0.003 0.000 0.277 178 N C -1.135 174.563 175.510 0.314 0.000 1.126 178 N CA -0.111 53.110 53.050 0.285 0.000 0.978 178 N CB 1.456 40.291 38.487 0.580 0.000 1.106 178 N HN 0.372 nan 8.380 nan 0.000 0.461 179 W N 2.052 123.286 121.300 -0.110 0.000 2.736 179 W HA 0.402 5.063 4.660 0.003 0.000 0.335 179 W C -0.679 175.906 176.519 0.110 0.000 1.059 179 W CA -0.649 56.752 57.345 0.093 0.000 1.226 179 W CB 0.377 29.890 29.460 0.088 0.000 1.416 179 W HN 0.354 nan 8.180 nan 0.000 0.505 180 Y N 2.104 123.023 120.300 1.032 0.000 2.446 180 Y HA 0.457 5.008 4.550 0.002 0.000 0.345 180 Y C -0.768 175.427 175.900 0.490 0.000 0.984 180 Y CA -1.433 57.116 58.100 0.749 0.000 1.058 180 Y CB 1.920 40.681 38.460 0.502 0.000 1.220 180 Y HN 0.309 nan 8.280 nan 0.000 0.455 181 Y N 1.437 121.851 120.300 0.190 0.000 2.462 181 Y HA 0.856 5.407 4.550 0.003 0.000 0.346 181 Y C -1.289 174.635 175.900 0.039 0.000 0.976 181 Y CA -1.092 56.897 58.100 -0.185 0.000 1.044 181 Y CB 1.561 39.668 38.460 -0.589 0.000 1.230 181 Y HN 0.754 nan 8.280 nan 0.000 0.455 182 A N 4.507 127.065 122.820 -0.436 0.000 2.520 182 A HA 0.657 4.978 4.320 0.003 0.000 0.298 182 A C -1.940 175.246 177.584 -0.664 0.000 1.051 182 A CA -0.457 51.410 52.037 -0.284 0.000 0.690 182 A CB 1.368 20.382 19.000 0.024 0.000 1.281 182 A HN 0.793 nan 8.150 nan 0.000 0.402 183 D N -0.172 119.815 120.400 -0.687 0.000 2.559 183 D HA 0.345 4.986 4.640 0.003 0.000 0.250 183 D C 0.506 176.043 176.300 -1.271 0.000 1.135 183 D CA -0.523 52.842 54.000 -1.059 0.000 0.955 183 D CB 0.879 41.354 40.800 -0.542 0.000 1.442 183 D HN 0.455 nan 8.370 nan 0.000 0.471 184 K N -0.525 119.030 120.400 -1.409 0.000 2.362 184 K HA -0.124 4.198 4.320 0.003 0.000 0.202 184 K C 0.048 176.489 176.600 -0.265 0.000 1.045 184 K CA 1.312 57.168 56.287 -0.719 0.000 0.936 184 K CB -0.252 32.047 32.500 -0.336 0.000 0.747 184 K HN 0.258 nan 8.250 nan 0.000 0.467 185 D N -0.069 120.200 120.400 -0.219 0.000 2.349 185 D HA 0.082 4.724 4.640 0.003 0.000 0.214 185 D C 0.959 177.212 176.300 -0.079 0.000 1.063 185 D CA 0.782 54.729 54.000 -0.087 0.000 0.847 185 D CB 0.898 41.684 40.800 -0.022 0.000 0.933 185 D HN 0.486 nan 8.370 nan 0.000 0.513 186 G N 1.213 109.942 108.800 -0.118 0.000 2.157 186 G HA2 -0.238 3.724 3.960 0.003 0.000 0.239 186 G HA3 -0.238 3.724 3.960 0.003 0.000 0.239 186 G C 0.122 174.964 174.900 -0.098 0.000 0.982 186 G CA -0.492 44.560 45.100 -0.079 0.000 0.650 186 G HN 0.178 nan 8.290 nan 0.000 0.527 187 N N 0.782 119.424 118.700 -0.097 0.000 2.514 187 N HA 0.627 5.369 4.740 0.003 0.000 0.277 187 N C 0.577 176.059 175.510 -0.048 0.000 1.126 187 N CA 0.430 53.390 53.050 -0.149 0.000 0.978 187 N CB 1.364 39.869 38.487 0.030 0.000 1.106 187 N HN 0.763 nan 8.380 nan 0.000 0.461 188 I N -2.527 117.953 120.570 -0.150 0.000 2.785 188 I HA 0.906 5.078 4.170 0.003 0.000 0.302 188 I C 0.135 176.236 176.117 -0.027 0.000 1.069 188 I CA -1.062 60.259 61.300 0.034 0.000 1.045 188 I CB 2.403 40.418 38.000 0.026 0.000 1.236 188 I HN 0.408 nan 8.210 nan 0.000 0.429 189 G N 2.356 111.281 108.800 0.208 0.000 2.677 189 G HA2 0.583 4.545 3.960 0.003 0.000 0.291 189 G HA3 0.583 4.545 3.960 0.003 0.000 0.291 189 G C -2.563 172.714 174.900 0.628 0.000 1.435 189 G CA -0.544 44.640 45.100 0.141 0.000 0.826 189 G HN 0.810 nan 8.290 nan 0.000 0.491 190 Y N 0.077 120.720 120.300 0.571 0.000 2.534 190 Y HA 0.733 5.285 4.550 0.002 0.000 0.345 190 Y C -1.649 174.558 175.900 0.512 0.000 1.031 190 Y CA -1.471 56.926 58.100 0.494 0.000 1.022 190 Y CB 2.226 40.889 38.460 0.339 0.000 1.292 190 Y HN 0.618 nan 8.280 nan 0.000 0.459 191 V N 5.302 125.110 119.914 -0.176 0.000 2.612 191 V HA 0.186 4.308 4.120 0.003 0.000 0.301 191 V C -1.267 174.481 176.094 -0.575 0.000 1.059 191 V CA -0.819 61.234 62.300 -0.411 0.000 0.886 191 V CB 1.433 33.183 31.823 -0.121 0.000 1.007 191 V HN 0.869 nan 8.190 nan 0.000 0.426 192 H N 3.615 122.235 119.070 -0.751 0.000 3.004 192 H HA 0.478 5.035 4.556 0.003 0.000 0.267 192 H C 0.575 175.740 175.328 -0.271 0.000 1.165 192 H CA 0.337 56.144 56.048 -0.403 0.000 1.450 192 H CB 0.638 30.155 29.762 -0.409 0.000 1.488 192 H HN 0.820 nan 8.280 nan 0.000 0.478 193 T N 2.042 116.253 114.554 -0.571 0.000 2.849 193 T HA 0.666 5.018 4.350 0.003 0.000 0.284 193 T C 0.516 174.970 174.700 -0.409 0.000 1.004 193 T CA 0.010 61.788 62.100 -0.537 0.000 1.021 193 T CB 1.322 69.575 68.868 -1.026 0.000 1.013 193 T HN 1.043 nan 8.240 nan 0.000 0.527 194 G N 0.407 109.043 108.800 -0.273 0.000 2.335 194 G HA2 0.146 4.107 3.960 0.003 0.000 0.592 194 G HA3 0.146 4.107 3.960 0.003 0.000 0.592 194 G C -1.406 173.306 174.900 -0.312 0.000 1.442 194 G CA -1.104 43.785 45.100 -0.351 0.000 0.976 194 G HN 1.076 nan 8.290 nan 0.000 0.652 195 H N 0.049 118.713 119.070 -0.677 0.000 2.519 195 H HA 0.509 5.066 4.556 0.003 0.000 0.316 195 H C -0.866 173.974 175.328 -0.813 0.000 1.065 195 H CA -0.344 55.406 56.048 -0.496 0.000 1.264 195 H CB 1.308 30.933 29.762 -0.228 0.000 1.413 195 H HN 0.411 nan 8.280 nan 0.000 0.465 196 Y N 3.418 123.737 120.300 0.031 0.000 2.364 196 Y HA 0.204 4.756 4.550 0.003 0.000 0.340 196 Y C -2.142 173.615 175.900 -0.238 0.000 0.975 196 Y CA -3.127 54.927 58.100 -0.076 0.000 1.089 196 Y CB 1.193 39.655 38.460 0.003 0.000 1.192 196 Y HN 0.539 nan 8.280 nan 0.000 0.454 197 P HA -0.075 nan 4.420 nan 0.000 0.266 197 P C -0.515 176.585 177.300 -0.332 0.000 1.195 197 P CA 0.083 62.755 63.100 -0.714 0.000 0.768 197 P CB 1.085 31.677 31.700 -1.848 0.000 0.838 198 D N 2.985 123.284 120.400 -0.168 0.000 2.456 198 D HA 0.135 4.777 4.640 0.003 0.000 0.219 198 D C 0.039 176.373 176.300 0.056 0.000 1.126 198 D CA -0.396 53.588 54.000 -0.026 0.000 0.890 198 D CB 0.042 40.858 40.800 0.026 0.000 1.025 198 D HN 0.140 nan 8.370 nan 0.000 0.511 199 R N 2.189 122.722 120.500 0.054 0.000 2.560 199 R HA 0.256 4.598 4.340 0.003 0.000 0.270 199 R C 0.493 176.988 176.300 0.325 0.000 1.074 199 R CA -0.809 55.457 56.100 0.277 0.000 1.140 199 R CB 0.625 31.024 30.300 0.165 0.000 1.073 199 R HN 0.384 nan 8.270 nan 0.000 0.527 200 Q N 1.717 121.805 119.800 0.480 0.000 2.330 200 Q HA -0.005 4.337 4.340 0.003 0.000 0.279 200 Q C 0.360 176.585 176.000 0.375 0.000 1.024 200 Q CA 0.307 56.309 55.803 0.331 0.000 0.900 200 Q CB 0.507 29.388 28.738 0.238 0.000 1.221 200 Q HN 0.556 nan 8.270 nan 0.000 0.396 201 I N 2.473 123.175 120.570 0.220 0.000 2.845 201 I HA -0.264 3.908 4.170 0.003 0.000 0.296 201 I C 0.019 176.343 176.117 0.345 0.000 1.216 201 I CA 0.936 62.362 61.300 0.209 0.000 1.438 201 I CB -0.014 38.060 38.000 0.122 0.000 1.342 201 I HN 0.873 nan 8.210 nan 0.000 0.577 202 N N 2.711 121.592 118.700 0.300 0.000 2.979 202 N HA -0.266 4.476 4.740 0.003 0.000 0.234 202 N C -0.033 175.663 175.510 0.309 0.000 0.938 202 N CA 0.863 54.099 53.050 0.311 0.000 0.961 202 N CB -1.313 37.385 38.487 0.353 0.000 1.089 202 N HN 0.830 nan 8.380 nan 0.000 0.576 203 H N 1.190 120.418 119.070 0.264 0.000 2.800 203 H HA 0.123 4.680 4.556 0.003 0.000 0.291 203 H C -0.709 174.601 175.328 -0.031 0.000 1.076 203 H CA -0.544 55.518 56.048 0.022 0.000 1.452 203 H CB 0.541 30.483 29.762 0.301 0.000 1.461 203 H HN 0.062 nan 8.280 nan 0.000 0.488 204 D N 7.481 127.945 120.400 0.107 0.000 2.336 204 D HA 0.027 4.669 4.640 0.003 0.000 0.249 204 D C -1.518 174.780 176.300 -0.003 0.000 1.213 204 D CA -1.964 52.044 54.000 0.014 0.000 0.870 204 D CB 1.629 42.417 40.800 -0.019 0.000 1.076 204 D HN 0.528 nan 8.370 nan 0.000 0.483 205 P HA -0.021 nan 4.420 nan 0.000 0.242 205 P C 0.730 178.005 177.300 -0.041 0.000 1.197 205 P CA 0.355 63.353 63.100 -0.171 0.000 0.765 205 P CB 0.377 31.958 31.700 -0.198 0.000 0.936 206 R N -1.023 119.465 120.500 -0.019 0.000 2.280 206 R HA 0.296 4.637 4.340 0.003 0.000 0.195 206 R C 0.771 177.079 176.300 0.013 0.000 0.935 206 R CA 0.238 56.343 56.100 0.008 0.000 1.033 206 R CB 0.079 30.388 30.300 0.016 0.000 0.964 206 R HN 0.239 nan 8.270 nan 0.000 0.489 207 L N -0.006 121.215 121.223 -0.003 0.000 2.376 207 L HA 0.474 4.816 4.340 0.003 0.000 0.258 207 L C -2.484 174.354 176.870 -0.054 0.000 1.013 207 L CA -2.650 52.176 54.840 -0.024 0.000 0.822 207 L CB 2.200 44.238 42.059 -0.035 0.000 1.388 207 L HN -0.274 nan 8.230 nan 0.000 0.413 208 P HA 0.156 nan 4.420 nan 0.000 0.270 208 P C -1.308 175.861 177.300 -0.218 0.000 1.223 208 P CA -0.245 62.797 63.100 -0.097 0.000 0.785 208 P CB 0.620 32.355 31.700 0.058 0.000 0.923 209 V N -1.680 117.993 119.914 -0.401 0.000 3.001 209 V HA 0.564 4.686 4.120 0.003 0.000 0.314 209 V C 0.083 175.965 176.094 -0.353 0.000 1.099 209 V CA -1.072 60.877 62.300 -0.586 0.000 0.989 209 V CB 1.575 32.805 31.823 -0.988 0.000 1.040 209 V HN 0.515 nan 8.190 nan 0.000 0.434 210 S N 1.333 116.906 115.700 -0.212 0.000 2.549 210 S HA 0.375 4.846 4.470 0.003 0.000 0.286 210 S C 1.181 175.917 174.600 0.226 0.000 1.314 210 S CA 0.373 58.601 58.200 0.047 0.000 1.062 210 S CB 0.622 63.906 63.200 0.141 0.000 0.865 210 S HN 1.545 nan 8.310 nan 0.000 0.498 211 G N 2.175 111.113 108.800 0.230 0.000 3.371 211 G HA2 0.098 4.060 3.960 0.003 0.000 0.248 211 G HA3 0.098 4.060 3.960 0.003 0.000 0.248 211 G C 1.049 176.213 174.900 0.440 0.000 1.161 211 G CA 0.261 45.531 45.100 0.285 0.000 0.796 211 G HN 0.871 nan 8.290 nan 0.000 0.539 212 T N -3.200 111.533 114.554 0.298 0.000 3.113 212 T HA 0.325 4.676 4.350 0.003 0.000 0.263 212 T C 1.892 176.650 174.700 0.097 0.000 1.143 212 T CA 1.154 63.362 62.100 0.180 0.000 1.090 212 T CB 0.144 69.043 68.868 0.051 0.000 0.922 212 T HN 1.040 nan 8.240 nan 0.000 0.521 213 G N 1.070 110.012 108.800 0.236 0.000 2.352 213 G HA2 -0.210 3.752 3.960 0.003 0.000 0.204 213 G HA3 -0.210 3.752 3.960 0.003 0.000 0.204 213 G C 0.698 175.618 174.900 0.033 0.000 1.004 213 G CA 0.146 45.279 45.100 0.056 0.000 0.648 213 G HN 0.487 nan 8.290 nan 0.000 0.491 214 E N -0.407 119.783 120.200 -0.017 0.000 2.268 214 E HA 0.056 4.407 4.350 0.003 0.000 0.195 214 E C 1.511 177.851 176.600 -0.434 0.000 0.995 214 E CA 1.134 57.388 56.400 -0.245 0.000 0.836 214 E CB -0.128 29.374 29.700 -0.330 0.000 0.763 214 E HN 0.793 nan 8.360 nan 0.000 0.491 215 W N 1.072 122.444 121.300 0.120 0.000 3.220 215 W HA 0.170 4.831 4.660 0.002 0.000 0.328 215 W C -0.212 176.486 176.519 0.297 0.000 1.205 215 W CA -0.791 56.630 57.345 0.126 0.000 1.773 215 W CB 0.555 29.996 29.460 -0.031 0.000 1.086 215 W HN -0.194 nan 8.180 nan 0.000 0.622 216 D N 0.318 120.978 120.400 0.434 0.000 2.472 216 D HA -0.095 4.546 4.640 0.003 0.000 0.237 216 D C 0.388 176.957 176.300 0.448 0.000 1.141 216 D CA 0.363 54.568 54.000 0.341 0.000 0.875 216 D CB 0.497 41.416 40.800 0.198 0.000 1.192 216 D HN -0.198 nan 8.370 nan 0.000 0.450 217 W N 1.825 123.345 121.300 0.367 0.000 2.231 217 W HA 0.010 4.671 4.660 0.002 0.000 0.341 217 W C 1.528 178.149 176.519 0.170 0.000 1.298 217 W CA -0.466 57.051 57.345 0.288 0.000 1.266 217 W CB -0.205 29.408 29.460 0.255 0.000 1.172 217 W HN 0.447 nan 8.180 nan 0.000 0.568 218 K N 1.476 122.095 120.400 0.364 0.000 2.167 218 K HA 0.164 4.486 4.320 0.003 0.000 0.203 218 K C 1.255 177.960 176.600 0.176 0.000 1.052 218 K CA 1.143 57.554 56.287 0.207 0.000 0.956 218 K CB 0.198 32.785 32.500 0.145 0.000 0.735 218 K HN 0.601 nan 8.250 nan 0.000 0.451 219 G N 0.033 108.951 108.800 0.198 0.000 2.393 219 G HA2 0.276 4.237 3.960 0.003 0.000 0.264 219 G HA3 0.276 4.237 3.960 0.003 0.000 0.264 219 G C -1.818 173.139 174.900 0.095 0.000 1.221 219 G CA -0.821 44.363 45.100 0.139 0.000 0.912 219 G HN -0.104 nan 8.290 nan 0.000 0.483 220 I N 1.442 122.027 120.570 0.024 0.000 2.509 220 I HA 0.346 4.518 4.170 0.003 0.000 0.293 220 I C 0.281 176.357 176.117 -0.069 0.000 1.020 220 I CA -0.498 60.771 61.300 -0.052 0.000 1.088 220 I CB 1.522 39.470 38.000 -0.086 0.000 1.267 220 I HN 0.552 nan 8.210 nan 0.000 0.430 221 Q N 6.110 125.875 119.800 -0.059 0.000 2.395 221 Q HA 0.183 4.525 4.340 0.003 0.000 0.271 221 Q C -2.053 173.921 176.000 -0.045 0.000 1.026 221 Q CA -1.237 54.554 55.803 -0.021 0.000 0.900 221 Q CB 0.209 28.969 28.738 0.037 0.000 1.266 221 Q HN 0.339 nan 8.270 nan 0.000 0.430 222 P HA -0.063 nan 4.420 nan 0.000 0.275 222 P C -0.002 177.318 177.300 0.033 0.000 1.228 222 P CA -0.135 62.959 63.100 -0.010 0.000 0.786 222 P CB 0.518 32.217 31.700 -0.002 0.000 0.927 223 F N 3.237 123.117 119.950 -0.116 0.000 2.192 223 F HA -0.231 4.298 4.527 0.003 0.000 0.301 223 F C 2.254 178.011 175.800 -0.071 0.000 1.079 223 F CA 1.947 59.881 58.000 -0.110 0.000 1.303 223 F CB -1.012 37.899 39.000 -0.147 0.000 1.024 223 F HN 0.428 nan 8.300 nan 0.000 0.494 224 A N -0.002 122.758 122.820 -0.099 0.000 2.076 224 A HA -0.233 4.089 4.320 0.003 0.000 0.220 224 A C 1.896 179.385 177.584 -0.159 0.000 1.160 224 A CA 1.896 53.839 52.037 -0.156 0.000 0.653 224 A CB -0.791 18.177 19.000 -0.054 0.000 0.801 224 A HN 0.500 nan 8.150 nan 0.000 0.455 225 N N 0.355 118.992 118.700 -0.106 0.000 2.416 225 N HA -0.021 4.720 4.740 0.003 0.000 0.177 225 N C -0.305 175.158 175.510 -0.079 0.000 1.036 225 N CA 0.274 53.291 53.050 -0.055 0.000 0.901 225 N CB -0.450 38.044 38.487 0.011 0.000 0.976 225 N HN 0.465 nan 8.380 nan 0.000 0.444 226 N N 1.970 120.559 118.700 -0.184 0.000 2.452 226 N HA 0.122 4.863 4.740 0.003 0.000 0.266 226 N C -2.595 172.742 175.510 -0.289 0.000 1.209 226 N CA -0.811 52.113 53.050 -0.209 0.000 0.929 226 N CB 0.467 38.736 38.487 -0.362 0.000 1.063 226 N HN 0.076 nan 8.380 nan 0.000 0.472 227 P HA -0.015 nan 4.420 nan 0.000 0.262 227 P C -0.613 176.500 177.300 -0.311 0.000 1.182 227 P CA 0.437 63.387 63.100 -0.250 0.000 0.761 227 P CB 0.359 31.849 31.700 -0.350 0.000 0.795 228 K N 0.803 121.090 120.400 -0.188 0.000 2.575 228 K HA 0.724 5.046 4.320 0.003 0.000 0.279 228 K C -1.824 174.833 176.600 0.095 0.000 0.969 228 K CA -1.013 55.206 56.287 -0.115 0.000 0.868 228 K CB 1.395 33.845 32.500 -0.082 0.000 1.457 228 K HN 0.102 nan 8.250 nan 0.000 0.426 229 V N 0.015 120.081 119.914 0.253 0.000 2.932 229 V HA 0.489 4.610 4.120 0.003 0.000 0.307 229 V C -1.840 174.393 176.094 0.231 0.000 1.147 229 V CA -0.945 61.498 62.300 0.237 0.000 0.951 229 V CB 1.606 33.552 31.823 0.205 0.000 1.031 229 V HN 0.838 nan 8.190 nan 0.000 0.426 230 Y N 3.219 123.458 120.300 -0.101 0.000 2.338 230 Y HA 0.552 5.103 4.550 0.002 0.000 0.333 230 Y C 0.411 176.154 175.900 -0.262 0.000 0.968 230 Y CA -1.135 56.688 58.100 -0.462 0.000 1.123 230 Y CB 1.463 39.513 38.460 -0.682 0.000 1.165 230 Y HN 0.852 nan 8.280 nan 0.000 0.452 231 N N 4.966 123.312 118.700 -0.591 0.000 2.696 231 N HA -0.145 4.596 4.740 0.003 0.000 0.256 231 N C -2.688 172.702 175.510 -0.200 0.000 1.031 231 N CA 0.803 53.591 53.050 -0.438 0.000 0.730 231 N CB -0.919 37.223 38.487 -0.575 0.000 0.894 231 N HN 0.518 nan 8.380 nan 0.000 0.544 232 P HA -0.064 nan 4.420 nan 0.000 0.266 232 P C 1.030 178.284 177.300 -0.078 0.000 1.193 232 P CA -0.011 63.042 63.100 -0.078 0.000 0.770 232 P CB 1.031 32.681 31.700 -0.082 0.000 0.836 233 K N 2.145 122.509 120.400 -0.059 0.000 2.074 233 K HA -0.174 4.148 4.320 0.003 0.000 0.209 233 K C 1.996 178.576 176.600 -0.034 0.000 1.048 233 K CA 2.190 58.453 56.287 -0.041 0.000 0.926 233 K CB -0.456 32.027 32.500 -0.029 0.000 0.713 233 K HN 0.581 nan 8.250 nan 0.000 0.444 234 S N -0.825 114.837 115.700 -0.064 0.000 2.465 234 S HA -0.073 4.398 4.470 0.003 0.000 0.241 234 S C 1.542 176.183 174.600 0.068 0.000 1.000 234 S CA 1.312 59.488 58.200 -0.039 0.000 0.964 234 S CB -0.552 62.504 63.200 -0.240 0.000 0.763 234 S HN 0.644 nan 8.310 nan 0.000 0.512 235 G N 0.081 108.894 108.800 0.021 0.000 2.179 235 G HA2 -0.259 3.703 3.960 0.003 0.000 0.260 235 G HA3 -0.259 3.703 3.960 0.003 0.000 0.260 235 G C -0.045 174.952 174.900 0.162 0.000 0.977 235 G CA 0.607 45.752 45.100 0.074 0.000 0.641 235 G HN 1.297 nan 8.290 nan 0.000 0.533 236 Y N -1.439 118.861 120.300 0.001 0.000 2.689 236 Y HA 0.822 5.373 4.550 0.002 0.000 0.333 236 Y C -0.808 175.114 175.900 0.036 0.000 1.190 236 Y CA -2.411 55.701 58.100 0.019 0.000 1.063 236 Y CB 1.173 39.642 38.460 0.015 0.000 1.294 236 Y HN 0.228 nan 8.280 nan 0.000 0.466 237 I N 1.976 122.641 120.570 0.159 0.000 2.548 237 I HA 0.755 4.926 4.170 0.003 0.000 0.287 237 I C -1.052 175.174 176.117 0.181 0.000 1.103 237 I CA -1.049 60.283 61.300 0.054 0.000 1.049 237 I CB 2.018 40.107 38.000 0.148 0.000 1.232 237 I HN 0.953 nan 8.210 nan 0.000 0.429 238 A N 5.637 128.535 122.820 0.130 0.000 2.475 238 A HA 0.836 5.157 4.320 0.003 0.000 0.301 238 A C -1.323 176.294 177.584 0.054 0.000 1.059 238 A CA -0.598 51.531 52.037 0.154 0.000 0.710 238 A CB 2.314 21.454 19.000 0.234 0.000 1.288 238 A HN 0.717 nan 8.150 nan 0.000 0.408 239 N N 0.734 119.472 118.700 0.064 0.000 2.431 239 N HA 0.258 4.999 4.740 0.003 0.000 0.275 239 N C -2.107 173.545 175.510 0.238 0.000 1.091 239 N CA -0.163 52.963 53.050 0.128 0.000 0.922 239 N CB 1.851 40.436 38.487 0.163 0.000 1.666 239 N HN 0.710 nan 8.380 nan 0.000 0.484 240 W N 3.979 125.353 121.300 0.125 0.000 1.048 240 W HA 0.358 5.019 4.660 0.003 0.000 0.296 240 W C -0.277 176.365 176.519 0.205 0.000 0.846 240 W CA -0.528 56.904 57.345 0.146 0.000 2.078 240 W CB -1.256 28.261 29.460 0.094 0.000 1.618 240 W HN 0.835 nan 8.180 nan 0.000 0.497 241 N N 1.347 120.373 118.700 0.543 0.000 2.782 241 N HA -0.246 4.495 4.740 0.003 0.000 0.251 241 N C 0.293 176.191 175.510 0.647 0.000 1.101 241 N CA 0.975 54.398 53.050 0.622 0.000 0.764 241 N CB -1.022 37.849 38.487 0.640 0.000 1.122 241 N HN 0.384 nan 8.380 nan 0.000 0.561 242 N N 0.017 118.896 118.700 0.298 0.000 2.364 242 N HA 0.152 4.894 4.740 0.003 0.000 0.264 242 N C 0.063 175.089 175.510 -0.807 0.000 1.263 242 N CA -0.335 52.656 53.050 -0.098 0.000 0.959 242 N CB 0.791 39.235 38.487 -0.071 0.000 1.204 242 N HN 0.063 nan 8.380 nan 0.000 0.550 243 S N -0.586 114.166 115.700 -1.581 0.000 2.560 243 S HA 0.112 4.584 4.470 0.003 0.000 0.284 243 S C -1.556 172.626 174.600 -0.697 0.000 1.327 243 S CA -0.974 56.204 58.200 -1.703 0.000 1.055 243 S CB 0.327 62.983 63.200 -0.908 0.000 0.868 243 S HN 0.422 nan 8.310 nan 0.000 0.506 244 P HA 0.249 nan 4.420 nan 0.000 0.217 244 P C -0.320 176.919 177.300 -0.102 0.000 1.154 244 P CA 0.883 63.856 63.100 -0.212 0.000 0.841 244 P CB 0.167 31.582 31.700 -0.475 0.000 0.788 245 A N -2.012 120.719 122.820 -0.149 0.000 2.612 245 A HA 0.427 4.748 4.320 0.003 0.000 0.293 245 A C -1.051 176.539 177.584 0.010 0.000 1.075 245 A CA -0.767 51.243 52.037 -0.044 0.000 0.680 245 A CB 0.606 19.589 19.000 -0.029 0.000 1.279 245 A HN -0.153 nan 8.150 nan 0.000 0.411 246 K N 0.782 121.195 120.400 0.022 0.000 2.511 246 K HA 0.041 4.362 4.320 0.003 0.000 0.280 246 K C 0.377 177.023 176.600 0.076 0.000 1.008 246 K CA 1.527 57.841 56.287 0.045 0.000 1.050 246 K CB -0.345 32.175 32.500 0.033 0.000 0.889 246 K HN 0.764 nan 8.250 nan 0.000 0.484 247 N N 0.743 119.498 118.700 0.092 0.000 2.965 247 N HA -0.300 4.442 4.740 0.003 0.000 0.232 247 N C -0.981 174.590 175.510 0.102 0.000 0.913 247 N CA 0.719 53.821 53.050 0.088 0.000 0.981 247 N CB -1.189 37.331 38.487 0.056 0.000 1.077 247 N HN 0.540 nan 8.380 nan 0.000 0.589 248 Y N 3.512 123.835 120.300 0.039 0.000 2.465 248 Y HA 0.221 4.773 4.550 0.003 0.000 0.331 248 Y C -1.963 174.061 175.900 0.206 0.000 1.102 248 Y CA -1.656 56.471 58.100 0.044 0.000 1.358 248 Y CB 0.694 39.115 38.460 -0.065 0.000 1.213 248 Y HN -0.000 nan 8.280 nan 0.000 0.525 249 P HA 0.290 nan 4.420 nan 0.000 0.287 249 P C -1.052 176.130 177.300 -0.196 0.000 1.281 249 P CA -0.243 62.709 63.100 -0.246 0.000 0.781 249 P CB 1.302 32.827 31.700 -0.292 0.000 0.903 250 A N 3.353 126.137 122.820 -0.061 0.000 2.259 250 A HA 0.391 4.713 4.320 0.003 0.000 0.278 250 A C 0.739 178.243 177.584 -0.134 0.000 1.107 250 A CA -0.373 51.489 52.037 -0.291 0.000 0.828 250 A CB -0.226 18.307 19.000 -0.778 0.000 1.111 250 A HN 0.587 nan 8.150 nan 0.000 0.498 251 S N -0.621 115.014 115.700 -0.108 0.000 2.566 251 S HA -0.018 4.453 4.470 0.003 0.000 0.280 251 S C 1.066 175.655 174.600 -0.018 0.000 1.343 251 S CA 0.370 58.555 58.200 -0.025 0.000 1.036 251 S CB 0.097 63.287 63.200 -0.018 0.000 0.866 251 S HN 0.685 nan 8.310 nan 0.000 0.526 252 D N 2.712 123.117 120.400 0.008 0.000 2.350 252 D HA -0.104 4.538 4.640 0.003 0.000 0.216 252 D C 0.709 177.025 176.300 0.028 0.000 0.968 252 D CA 0.132 54.145 54.000 0.021 0.000 0.894 252 D CB -0.402 40.417 40.800 0.031 0.000 0.909 252 D HN 0.467 nan 8.370 nan 0.000 0.520 253 L N 1.780 122.997 121.223 -0.010 0.000 2.720 253 L HA -0.177 4.164 4.340 0.003 0.000 0.289 253 L C 1.575 178.389 176.870 -0.093 0.000 1.232 253 L CA -0.289 54.486 54.840 -0.108 0.000 0.915 253 L CB 0.218 42.209 42.059 -0.113 0.000 1.184 253 L HN 0.085 nan 8.230 nan 0.000 0.491 254 F N 2.042 121.912 119.950 -0.133 0.000 2.234 254 F HA -0.045 4.484 4.527 0.003 0.000 0.299 254 F C 2.053 177.792 175.800 -0.102 0.000 1.087 254 F CA 0.889 58.820 58.000 -0.115 0.000 1.340 254 F CB -0.674 38.145 39.000 -0.302 0.000 1.031 254 F HN 0.455 nan 8.300 nan 0.000 0.500 255 A N -0.453 122.021 122.820 -0.578 0.000 2.119 255 A HA 0.045 4.367 4.320 0.003 0.000 0.217 255 A C 0.451 177.935 177.584 -0.166 0.000 1.153 255 A CA 0.281 52.108 52.037 -0.349 0.000 0.692 255 A CB -1.021 17.606 19.000 -0.622 0.000 0.799 255 A HN 0.419 nan 8.150 nan 0.000 0.458 256 F N 0.282 120.057 119.950 -0.292 0.000 2.411 256 F HA 0.662 5.190 4.527 0.003 0.000 0.352 256 F C -0.738 174.873 175.800 -0.315 0.000 1.123 256 F CA -1.125 56.669 58.000 -0.343 0.000 1.044 256 F CB 0.879 39.610 39.000 -0.448 0.000 1.135 256 F HN -0.062 nan 8.300 nan 0.000 0.461 257 L N 5.029 125.786 121.223 -0.777 0.000 2.409 257 L HA 0.400 4.741 4.340 0.003 0.000 0.262 257 L C -1.537 175.010 176.870 -0.538 0.000 0.992 257 L CA -0.807 53.747 54.840 -0.478 0.000 0.817 257 L CB 2.306 44.262 42.059 -0.171 0.000 1.350 257 L HN 0.527 nan 8.230 nan 0.000 0.411 258 W N 2.161 123.368 121.300 -0.154 0.000 2.299 258 W HA 0.644 5.305 4.660 0.002 0.000 0.319 258 W C 0.235 176.735 176.519 -0.032 0.000 1.008 258 W CA -0.981 56.309 57.345 -0.092 0.000 1.384 258 W CB 1.429 30.913 29.460 0.041 0.000 1.220 258 W HN 0.520 nan 8.180 nan 0.000 0.402 259 G N 0.732 109.629 108.800 0.161 0.000 3.108 259 G HA2 0.338 4.300 3.960 0.003 0.000 0.268 259 G HA3 0.338 4.300 3.960 0.003 0.000 0.268 259 G C 0.571 175.542 174.900 0.119 0.000 1.361 259 G CA -0.405 44.773 45.100 0.129 0.000 1.047 259 G HN 0.125 nan 8.290 nan 0.000 0.540 260 S N -0.210 115.581 115.700 0.152 0.000 2.365 260 S HA -0.017 4.454 4.470 0.003 0.000 0.225 260 S C 1.535 176.191 174.600 0.093 0.000 1.039 260 S CA 1.350 59.661 58.200 0.185 0.000 1.033 260 S CB -0.339 63.053 63.200 0.321 0.000 0.887 260 S HN 0.977 nan 8.310 nan 0.000 0.447 261 A N 1.672 124.472 122.820 -0.034 0.000 2.354 261 A HA 0.475 4.796 4.320 0.003 0.000 0.281 261 A C -0.213 177.261 177.584 -0.184 0.000 1.174 261 A CA -0.273 51.537 52.037 -0.379 0.000 0.828 261 A CB 0.246 18.862 19.000 -0.640 0.000 1.099 261 A HN 0.245 nan 8.150 nan 0.000 0.516 262 D N 2.046 122.343 120.400 -0.171 0.000 2.966 262 D HA 0.130 4.772 4.640 0.003 0.000 0.222 262 D C 1.138 177.368 176.300 -0.117 0.000 1.292 262 D CA -0.460 53.474 54.000 -0.110 0.000 0.907 262 D CB 1.201 41.980 40.800 -0.035 0.000 1.621 262 D HN 0.653 nan 8.370 nan 0.000 0.557 263 R N 1.999 122.391 120.500 -0.179 0.000 2.211 263 R HA -0.110 4.231 4.340 0.003 0.000 0.240 263 R C 1.541 177.875 176.300 0.058 0.000 1.144 263 R CA 1.005 56.971 56.100 -0.223 0.000 0.992 263 R CB -0.488 29.401 30.300 -0.685 0.000 0.869 263 R HN 0.227 nan 8.270 nan 0.000 0.462 264 V N 1.558 121.549 119.914 0.129 0.000 2.568 264 V HA -0.209 3.913 4.120 0.003 0.000 0.253 264 V C 1.633 177.793 176.094 0.111 0.000 1.072 264 V CA 1.767 64.201 62.300 0.223 0.000 1.084 264 V CB -0.306 31.612 31.823 0.159 0.000 0.676 264 V HN 0.284 nan 8.190 nan 0.000 0.469 265 K N 0.042 120.466 120.400 0.040 0.000 2.152 265 K HA -0.137 4.185 4.320 0.003 0.000 0.206 265 K C 1.958 178.543 176.600 -0.025 0.000 1.048 265 K CA 1.241 57.528 56.287 -0.002 0.000 0.933 265 K CB -0.509 31.971 32.500 -0.033 0.000 0.721 265 K HN 0.531 nan 8.250 nan 0.000 0.447 266 E N 0.457 120.661 120.200 0.006 0.000 2.209 266 E HA -0.117 4.235 4.350 0.003 0.000 0.196 266 E C 2.128 178.650 176.600 -0.129 0.000 0.993 266 E CA 0.804 57.190 56.400 -0.024 0.000 0.819 266 E CB -0.148 29.609 29.700 0.094 0.000 0.745 266 E HN 0.387 nan 8.360 nan 0.000 0.477 267 I N 1.065 121.551 120.570 -0.140 0.000 2.364 267 I HA -0.176 3.995 4.170 0.003 0.000 0.241 267 I C 1.850 177.784 176.117 -0.306 0.000 1.082 267 I CA 0.695 61.770 61.300 -0.375 0.000 1.401 267 I CB -0.191 37.563 38.000 -0.411 0.000 1.126 267 I HN -0.123 nan 8.210 nan 0.000 0.429 268 D N 1.302 121.626 120.400 -0.126 0.000 2.133 268 D HA -0.194 4.448 4.640 0.003 0.000 0.195 268 D C 1.836 178.036 176.300 -0.167 0.000 0.997 268 D CA 1.356 55.312 54.000 -0.073 0.000 0.840 268 D CB -0.592 40.276 40.800 0.113 0.000 0.947 268 D HN 0.274 nan 8.370 nan 0.000 0.452 269 N N 0.692 119.314 118.700 -0.129 0.000 2.120 269 N HA -0.097 4.645 4.740 0.003 0.000 0.188 269 N C 1.843 177.252 175.510 -0.168 0.000 1.024 269 N CA 0.696 53.670 53.050 -0.128 0.000 0.852 269 N CB -0.221 38.202 38.487 -0.107 0.000 1.003 269 N HN 0.277 nan 8.380 nan 0.000 0.424 270 R N 0.379 120.754 120.500 -0.208 0.000 2.096 270 R HA 0.052 4.394 4.340 0.003 0.000 0.235 270 R C 2.239 178.460 176.300 -0.132 0.000 1.127 270 R CA 0.788 56.771 56.100 -0.195 0.000 0.968 270 R CB -0.309 29.839 30.300 -0.253 0.000 0.861 270 R HN 0.261 nan 8.270 nan 0.000 0.440 271 I N 0.904 121.308 120.570 -0.276 0.000 2.252 271 I HA -0.220 3.951 4.170 0.003 0.000 0.245 271 I C 1.845 177.821 176.117 -0.234 0.000 1.102 271 I CA 1.370 62.476 61.300 -0.323 0.000 1.385 271 I CB -0.184 37.383 38.000 -0.722 0.000 1.064 271 I HN 0.196 nan 8.210 nan 0.000 0.414 272 E N 0.838 120.877 120.200 -0.267 0.000 2.338 272 E HA -0.149 4.203 4.350 0.003 0.000 0.197 272 E C 2.179 178.729 176.600 -0.083 0.000 1.007 272 E CA 0.886 57.200 56.400 -0.144 0.000 0.849 272 E CB -0.086 29.559 29.700 -0.091 0.000 0.774 272 E HN 0.494 nan 8.360 nan 0.000 0.506 273 A N 0.431 123.189 122.820 -0.103 0.000 2.067 273 A HA -0.078 4.243 4.320 0.003 0.000 0.219 273 A C 0.362 177.841 177.584 -0.176 0.000 1.158 273 A CA 0.823 52.760 52.037 -0.166 0.000 0.661 273 A CB -0.128 18.714 19.000 -0.264 0.000 0.801 273 A HN 0.128 nan 8.150 nan 0.000 0.452 274 Y N -1.545 118.679 120.300 -0.127 0.000 2.419 274 Y HA 0.384 4.935 4.550 0.003 0.000 0.328 274 Y C 1.209 177.059 175.900 -0.084 0.000 1.162 274 Y CA -0.615 57.425 58.100 -0.099 0.000 1.174 274 Y CB 0.987 39.385 38.460 -0.103 0.000 1.228 274 Y HN 0.190 nan 8.280 nan 0.000 0.473 275 D N 0.665 121.140 120.400 0.124 0.000 2.149 275 D HA 0.007 4.648 4.640 0.003 0.000 0.206 275 D C -0.367 175.959 176.300 0.043 0.000 0.967 275 D CA 1.352 55.385 54.000 0.056 0.000 0.848 275 D CB 0.399 41.220 40.800 0.035 0.000 0.998 275 D HN 0.441 nan 8.370 nan 0.000 0.474 276 K N -0.241 120.185 120.400 0.044 0.000 2.468 276 K HA 0.432 4.754 4.320 0.003 0.000 0.252 276 K C -1.336 175.222 176.600 -0.070 0.000 0.932 276 K CA -0.813 55.468 56.287 -0.010 0.000 0.794 276 K CB 2.514 35.011 32.500 -0.005 0.000 1.241 276 K HN -0.062 nan 8.250 nan 0.000 0.428 277 L N 1.699 122.823 121.223 -0.164 0.000 2.329 277 L HA 0.395 4.737 4.340 0.003 0.000 0.279 277 L C 0.662 177.415 176.870 -0.194 0.000 1.014 277 L CA -0.409 54.230 54.840 -0.334 0.000 0.814 277 L CB 1.747 43.535 42.059 -0.451 0.000 1.257 277 L HN 0.753 nan 8.230 nan 0.000 0.424 278 T N -1.010 113.430 114.554 -0.190 0.000 2.849 278 T HA 0.538 4.889 4.350 0.003 0.000 0.276 278 T C 1.192 175.825 174.700 -0.112 0.000 0.971 278 T CA -0.107 61.926 62.100 -0.112 0.000 0.949 278 T CB 1.235 70.050 68.868 -0.089 0.000 1.093 278 T HN 0.577 nan 8.240 nan 0.000 0.545 279 A N 0.101 122.871 122.820 -0.083 0.000 2.015 279 A HA -0.029 4.293 4.320 0.003 0.000 0.219 279 A C 2.003 179.533 177.584 -0.090 0.000 1.163 279 A CA 1.344 53.335 52.037 -0.075 0.000 0.646 279 A CB -0.930 18.026 19.000 -0.073 0.000 0.806 279 A HN 0.887 nan 8.150 nan 0.000 0.448 280 D N 0.247 120.575 120.400 -0.119 0.000 2.183 280 D HA -0.104 4.538 4.640 0.003 0.000 0.203 280 D C 1.084 177.365 176.300 -0.032 0.000 0.969 280 D CA 1.169 55.113 54.000 -0.094 0.000 0.842 280 D CB -0.241 40.490 40.800 -0.116 0.000 0.957 280 D HN 0.394 nan 8.370 nan 0.000 0.484 281 D N 0.405 120.743 120.400 -0.104 0.000 2.097 281 D HA -0.099 4.543 4.640 0.003 0.000 0.197 281 D C 2.259 178.471 176.300 -0.147 0.000 0.984 281 D CA 0.549 54.433 54.000 -0.194 0.000 0.826 281 D CB -0.203 40.246 40.800 -0.586 0.000 0.973 281 D HN 0.168 nan 8.370 nan 0.000 0.460 282 M N -0.402 119.146 119.600 -0.087 0.000 2.082 282 M HA -0.190 4.291 4.480 0.003 0.000 0.258 282 M C 2.299 178.738 176.300 0.232 0.000 1.069 282 M CA 1.160 56.532 55.300 0.119 0.000 1.102 282 M CB -0.865 31.801 32.600 0.110 0.000 1.336 282 M HN 0.317 nan 8.290 nan 0.000 0.404 283 W N 0.921 122.183 121.300 -0.063 0.000 2.392 283 W HA -0.134 4.527 4.660 0.002 0.000 0.279 283 W C 2.213 178.660 176.519 -0.119 0.000 1.225 283 W CA 1.621 58.907 57.345 -0.099 0.000 1.233 283 W CB -0.141 29.207 29.460 -0.187 0.000 1.122 283 W HN 0.266 nan 8.180 nan 0.000 0.561 284 A N 0.761 123.587 122.820 0.009 0.000 1.933 284 A HA -0.198 4.124 4.320 0.003 0.000 0.218 284 A C 1.891 179.353 177.584 -0.202 0.000 1.175 284 A CA 1.734 53.707 52.037 -0.106 0.000 0.628 284 A CB -1.046 17.942 19.000 -0.020 0.000 0.814 284 A HN 0.312 nan 8.150 nan 0.000 0.444 285 I N -0.614 119.865 120.570 -0.152 0.000 2.614 285 I HA -0.184 3.988 4.170 0.003 0.000 0.258 285 I C 2.299 178.239 176.117 -0.295 0.000 1.189 285 I CA 0.746 61.882 61.300 -0.274 0.000 1.462 285 I CB -0.177 37.555 38.000 -0.446 0.000 1.092 285 I HN 0.421 nan 8.210 nan 0.000 0.442 286 L N 0.581 121.683 121.223 -0.201 0.000 2.044 286 L HA -0.173 4.168 4.340 0.003 0.000 0.205 286 L C 2.459 179.008 176.870 -0.536 0.000 1.075 286 L CA 1.753 56.429 54.840 -0.273 0.000 0.747 286 L CB -0.561 41.145 42.059 -0.588 0.000 0.903 286 L HN 0.179 nan 8.230 nan 0.000 0.435 287 Q N -0.885 118.421 119.800 -0.824 0.000 2.084 287 Q HA -0.218 4.123 4.340 0.003 0.000 0.202 287 Q C 2.189 177.838 176.000 -0.585 0.000 0.978 287 Q CA 1.557 56.676 55.803 -1.140 0.000 0.844 287 Q CB -0.271 27.778 28.738 -1.147 0.000 0.898 287 Q HN 0.535 nan 8.270 nan 0.000 0.426 288 Q N 0.001 119.556 119.800 -0.409 0.000 1.993 288 Q HA -0.146 4.195 4.340 0.003 0.000 0.202 288 Q C 2.420 178.291 176.000 -0.215 0.000 0.984 288 Q CA 2.193 57.828 55.803 -0.281 0.000 0.837 288 Q CB -1.072 27.514 28.738 -0.253 0.000 0.902 288 Q HN 0.613 nan 8.270 nan 0.000 0.423 289 T N -1.562 112.857 114.554 -0.224 0.000 2.881 289 T HA -0.069 4.283 4.350 0.003 0.000 0.270 289 T C 2.036 176.759 174.700 0.037 0.000 1.068 289 T CA 1.537 63.576 62.100 -0.101 0.000 1.131 289 T CB -0.248 68.457 68.868 -0.272 0.000 0.871 289 T HN 0.077 nan 8.240 nan 0.000 0.479 290 S N 1.558 117.227 115.700 -0.051 0.000 2.402 290 S HA 0.047 4.518 4.470 0.003 0.000 0.229 290 S C 2.092 176.756 174.600 0.105 0.000 1.021 290 S CA 0.832 59.060 58.200 0.048 0.000 0.974 290 S CB -0.168 63.034 63.200 0.003 0.000 0.800 290 S HN 0.604 nan 8.310 nan 0.000 0.484 291 R N 0.038 120.551 120.500 0.022 0.000 2.282 291 R HA 0.269 4.610 4.340 0.003 0.000 0.195 291 R C 0.248 176.528 176.300 -0.034 0.000 0.909 291 R CA -0.067 56.055 56.100 0.037 0.000 1.039 291 R CB 0.229 30.527 30.300 -0.004 0.000 1.015 291 R HN 0.152 nan 8.270 nan 0.000 0.513 292 V N 3.146 123.019 119.914 -0.067 0.000 2.529 292 V HA -0.036 4.085 4.120 0.003 0.000 0.292 292 V C -0.162 175.883 176.094 -0.082 0.000 1.028 292 V CA -0.171 62.041 62.300 -0.147 0.000 1.074 292 V CB 0.758 32.498 31.823 -0.138 0.000 0.958 292 V HN 0.172 nan 8.190 nan 0.000 0.481 293 D N 5.591 125.896 120.400 -0.159 0.000 2.371 293 D HA 0.047 4.689 4.640 0.003 0.000 0.256 293 D C 1.053 177.368 176.300 0.025 0.000 1.193 293 D CA -0.095 53.914 54.000 0.015 0.000 0.881 293 D CB 1.243 42.128 40.800 0.142 0.000 1.143 293 D HN 0.608 nan 8.370 nan 0.000 0.473 294 L N 3.738 124.968 121.223 0.011 0.000 2.201 294 L HA -0.136 4.206 4.340 0.003 0.000 0.212 294 L C 1.926 178.826 176.870 0.050 0.000 1.105 294 L CA 0.560 55.383 54.840 -0.028 0.000 0.775 294 L CB -0.319 41.660 42.059 -0.134 0.000 0.913 294 L HN 0.424 nan 8.230 nan 0.000 0.440 295 N N -1.501 117.314 118.700 0.192 0.000 2.424 295 N HA -0.131 4.611 4.740 0.003 0.000 0.178 295 N C 1.689 177.470 175.510 0.453 0.000 1.060 295 N CA 0.405 53.702 53.050 0.412 0.000 0.901 295 N CB -0.152 38.665 38.487 0.550 0.000 0.979 295 N HN 0.477 nan 8.380 nan 0.000 0.451 296 H N 2.268 121.486 119.070 0.247 0.000 2.267 296 H HA -0.086 4.471 4.556 0.003 0.000 0.297 296 H C 2.164 177.561 175.328 0.115 0.000 1.080 296 H CA 1.604 57.775 56.048 0.206 0.000 1.278 296 H CB 0.240 30.034 29.762 0.053 0.000 1.365 296 H HN 0.105 nan 8.280 nan 0.000 0.489 297 R N 0.041 120.484 120.500 -0.095 0.000 2.091 297 R HA -0.132 4.210 4.340 0.003 0.000 0.238 297 R C 2.281 178.494 176.300 -0.144 0.000 1.136 297 R CA 1.432 57.426 56.100 -0.176 0.000 0.959 297 R CB 0.016 30.251 30.300 -0.108 0.000 0.856 297 R HN 0.235 nan 8.270 nan 0.000 0.437 298 L N -0.366 120.776 121.223 -0.135 0.000 2.023 298 L HA -0.042 4.300 4.340 0.003 0.000 0.205 298 L C 2.150 178.950 176.870 -0.117 0.000 1.073 298 L CA 1.670 56.349 54.840 -0.268 0.000 0.745 298 L CB -1.196 40.421 42.059 -0.737 0.000 0.900 298 L HN 0.144 nan 8.230 nan 0.000 0.435 299 F N -0.404 119.728 119.950 0.304 0.000 2.387 299 F HA -0.013 4.516 4.527 0.002 0.000 0.294 299 F C 2.465 178.378 175.800 0.188 0.000 1.093 299 F CA 0.729 58.976 58.000 0.411 0.000 1.420 299 F CB -1.269 38.038 39.000 0.511 0.000 1.086 299 F HN -0.003 nan 8.300 nan 0.000 0.531 300 T N 1.039 115.686 114.554 0.155 0.000 2.699 300 T HA -0.174 4.177 4.350 0.003 0.000 0.268 300 T C -0.534 174.141 174.700 -0.041 0.000 1.036 300 T CA 1.589 63.693 62.100 0.005 0.000 1.147 300 T CB -1.396 67.406 68.868 -0.109 0.000 0.862 300 T HN 0.113 nan 8.240 nan 0.000 0.446 301 P HA -0.016 nan 4.420 nan 0.000 0.221 301 P C 0.812 177.927 177.300 -0.308 0.000 1.145 301 P CA 0.859 63.812 63.100 -0.247 0.000 0.795 301 P CB -0.173 31.311 31.700 -0.361 0.000 0.775 302 F N -1.505 118.473 119.950 0.047 0.000 2.335 302 F HA 0.015 4.543 4.527 0.002 0.000 0.296 302 F C 2.148 177.965 175.800 0.029 0.000 1.091 302 F CA 0.841 58.887 58.000 0.076 0.000 1.399 302 F CB -1.056 38.071 39.000 0.210 0.000 1.067 302 F HN -0.206 nan 8.300 nan 0.000 0.520 303 L N -0.856 120.428 121.223 0.102 0.000 2.083 303 L HA -0.196 4.146 4.340 0.003 0.000 0.209 303 L C 2.295 179.151 176.870 -0.022 0.000 1.083 303 L CA 1.535 56.343 54.840 -0.053 0.000 0.752 303 L CB -1.267 40.673 42.059 -0.198 0.000 0.899 303 L HN 0.118 nan 8.230 nan 0.000 0.433 304 T N -1.147 113.390 114.554 -0.028 0.000 2.746 304 T HA -0.166 4.185 4.350 0.003 0.000 0.267 304 T C 1.978 176.665 174.700 -0.021 0.000 1.039 304 T CA 1.012 63.093 62.100 -0.032 0.000 1.142 304 T CB -0.053 68.782 68.868 -0.054 0.000 0.866 304 T HN 0.251 nan 8.240 nan 0.000 0.444 305 Q N 0.941 120.731 119.800 -0.017 0.000 2.046 305 Q HA 0.092 4.433 4.340 0.003 0.000 0.200 305 Q C 2.691 178.707 176.000 0.027 0.000 0.975 305 Q CA 1.619 57.421 55.803 -0.000 0.000 0.836 305 Q CB -0.898 27.847 28.738 0.011 0.000 0.896 305 Q HN 0.561 nan 8.270 nan 0.000 0.428 306 A N 0.643 123.498 122.820 0.058 0.000 2.015 306 A HA -0.103 4.218 4.320 0.003 0.000 0.219 306 A C 1.995 179.600 177.584 0.036 0.000 1.163 306 A CA 1.937 54.011 52.037 0.061 0.000 0.646 306 A CB -0.461 18.601 19.000 0.103 0.000 0.806 306 A HN 0.496 nan 8.150 nan 0.000 0.448 307 T N -2.964 111.601 114.554 0.019 0.000 3.069 307 T HA 0.242 4.593 4.350 0.003 0.000 0.252 307 T C 0.557 175.256 174.700 -0.002 0.000 1.053 307 T CA -0.260 61.843 62.100 0.006 0.000 0.964 307 T CB -0.170 68.695 68.868 -0.004 0.000 1.005 307 T HN 0.456 nan 8.240 nan 0.000 0.532 308 Q N 0.691 120.490 119.800 -0.002 0.000 2.330 308 Q HA 0.423 4.765 4.340 0.003 0.000 0.279 308 Q C 1.317 177.313 176.000 -0.005 0.000 1.024 308 Q CA 1.131 56.929 55.803 -0.007 0.000 0.900 308 Q CB 0.468 29.200 28.738 -0.010 0.000 1.221 308 Q HN 0.620 nan 8.270 nan 0.000 0.396 309 G N 1.808 110.603 108.800 -0.008 0.000 2.234 309 G HA2 -0.243 3.719 3.960 0.003 0.000 0.235 309 G HA3 -0.243 3.719 3.960 0.003 0.000 0.235 309 G C -0.030 174.865 174.900 -0.008 0.000 0.997 309 G CA -0.376 44.720 45.100 -0.007 0.000 0.623 309 G HN 0.461 nan 8.290 nan 0.000 0.514 310 L N 2.804 124.022 121.223 -0.010 0.000 2.357 310 L HA 0.491 4.832 4.340 0.003 0.000 0.273 310 L C -1.028 175.831 176.870 -0.019 0.000 1.080 310 L CA -1.995 52.837 54.840 -0.014 0.000 0.803 310 L CB 0.948 42.997 42.059 -0.015 0.000 1.174 310 L HN 0.058 nan 8.230 nan 0.000 0.443 311 P HA 0.133 nan 4.420 nan 0.000 0.274 311 P C 0.194 177.475 177.300 -0.030 0.000 1.256 311 P CA -0.428 62.657 63.100 -0.024 0.000 0.795 311 P CB 0.994 32.680 31.700 -0.023 0.000 1.038 312 S N 0.535 116.218 115.700 -0.028 0.000 2.400 312 S HA -0.153 4.319 4.470 0.003 0.000 0.232 312 S C 1.432 176.006 174.600 -0.043 0.000 1.025 312 S CA 1.658 59.839 58.200 -0.031 0.000 0.993 312 S CB -0.838 62.347 63.200 -0.026 0.000 0.808 312 S HN 0.716 nan 8.310 nan 0.000 0.478 313 N N 1.521 120.193 118.700 -0.046 0.000 2.398 313 N HA -0.030 4.712 4.740 0.003 0.000 0.188 313 N C -0.117 175.342 175.510 -0.085 0.000 1.122 313 N CA 0.119 53.134 53.050 -0.058 0.000 0.866 313 N CB -0.500 37.960 38.487 -0.044 0.000 0.970 313 N HN 0.343 nan 8.380 nan 0.000 0.462 314 D N 0.443 120.793 120.400 -0.083 0.000 2.424 314 D HA 0.005 4.646 4.640 0.003 0.000 0.244 314 D C 0.251 176.440 176.300 -0.186 0.000 1.134 314 D CA -0.154 53.782 54.000 -0.108 0.000 0.881 314 D CB 0.814 41.571 40.800 -0.072 0.000 1.191 314 D HN -0.047 nan 8.370 nan 0.000 0.445 315 N N 1.722 120.235 118.700 -0.310 0.000 2.043 315 N HA -0.207 4.535 4.740 0.003 0.000 0.193 315 N C 1.849 177.094 175.510 -0.442 0.000 1.037 315 N CA 1.718 54.365 53.050 -0.671 0.000 0.851 315 N CB -0.536 37.338 38.487 -1.022 0.000 1.027 315 N HN 0.577 nan 8.380 nan 0.000 0.422 316 S N -0.140 115.438 115.700 -0.203 0.000 2.442 316 S HA -0.034 4.438 4.470 0.003 0.000 0.236 316 S C 1.977 176.556 174.600 -0.035 0.000 1.007 316 S CA 0.734 58.906 58.200 -0.048 0.000 0.965 316 S CB -0.463 62.737 63.200 -0.001 0.000 0.773 316 S HN 0.064 nan 8.310 nan 0.000 0.504 317 V N 1.488 121.363 119.914 -0.065 0.000 2.788 317 V HA 0.015 4.136 4.120 0.003 0.000 0.251 317 V C 2.507 178.587 176.094 -0.024 0.000 1.068 317 V CA 1.350 63.627 62.300 -0.038 0.000 1.090 317 V CB -0.518 31.280 31.823 -0.042 0.000 0.710 317 V HN 0.459 nan 8.190 nan 0.000 0.467 318 K N 0.140 120.513 120.400 -0.045 0.000 2.026 318 K HA -0.107 4.214 4.320 0.003 0.000 0.208 318 K C 2.089 178.729 176.600 0.066 0.000 1.048 318 K CA 1.387 57.672 56.287 -0.003 0.000 0.929 318 K CB -0.274 32.225 32.500 -0.002 0.000 0.713 318 K HN 0.328 nan 8.250 nan 0.000 0.439 319 L N 0.631 121.927 121.223 0.122 0.000 1.994 319 L HA -0.208 4.134 4.340 0.003 0.000 0.208 319 L C 2.391 179.314 176.870 0.088 0.000 1.071 319 L CA 1.168 56.102 54.840 0.156 0.000 0.745 319 L CB -0.672 41.494 42.059 0.178 0.000 0.892 319 L HN 0.022 nan 8.230 nan 0.000 0.431 320 V N -0.664 119.276 119.914 0.042 0.000 2.392 320 V HA -0.271 3.850 4.120 0.003 0.000 0.249 320 V C 2.593 178.723 176.094 0.060 0.000 1.059 320 V CA 1.992 64.309 62.300 0.028 0.000 1.051 320 V CB -0.479 31.339 31.823 -0.009 0.000 0.658 320 V HN 0.386 nan 8.190 nan 0.000 0.455 321 S N -0.289 115.440 115.700 0.049 0.000 2.368 321 S HA -0.198 4.273 4.470 0.003 0.000 0.225 321 S C 1.955 176.609 174.600 0.089 0.000 1.030 321 S CA 1.875 60.107 58.200 0.053 0.000 0.999 321 S CB -0.372 62.842 63.200 0.024 0.000 0.844 321 S HN 0.499 nan 8.310 nan 0.000 0.459 322 M N 0.715 120.368 119.600 0.087 0.000 2.108 322 M HA -0.099 4.383 4.480 0.003 0.000 0.261 322 M C 1.980 178.428 176.300 0.246 0.000 1.066 322 M CA 1.436 56.803 55.300 0.112 0.000 1.107 322 M CB -0.606 32.004 32.600 0.017 0.000 1.356 322 M HN 0.256 nan 8.290 nan 0.000 0.406 323 L N -0.542 120.825 121.223 0.241 0.000 2.072 323 L HA -0.191 4.151 4.340 0.003 0.000 0.205 323 L C 2.473 179.602 176.870 0.431 0.000 1.079 323 L CA 1.237 56.304 54.840 0.380 0.000 0.752 323 L CB -0.563 41.696 42.059 0.333 0.000 0.906 323 L HN 0.336 nan 8.230 nan 0.000 0.436 324 Q N -0.391 119.553 119.800 0.240 0.000 2.226 324 Q HA -0.232 4.109 4.340 0.003 0.000 0.204 324 Q C 1.957 178.071 176.000 0.191 0.000 0.975 324 Q CA 1.178 57.086 55.803 0.176 0.000 0.866 324 Q CB -0.033 28.756 28.738 0.084 0.000 0.915 324 Q HN 0.534 nan 8.270 nan 0.000 0.440 325 Q N -1.141 118.780 119.800 0.203 0.000 2.425 325 Q HA -0.046 4.295 4.340 0.003 0.000 0.204 325 Q C -0.400 175.740 176.000 0.234 0.000 0.933 325 Q CA -0.060 55.848 55.803 0.176 0.000 0.939 325 Q CB 0.287 29.107 28.738 0.135 0.000 1.044 325 Q HN 0.245 nan 8.270 nan 0.000 0.513 326 W N 1.884 123.192 121.300 0.014 0.000 2.381 326 W HA 0.110 4.771 4.660 0.002 0.000 0.329 326 W C 0.199 176.621 176.519 -0.162 0.000 1.157 326 W CA -1.054 56.166 57.345 -0.209 0.000 1.240 326 W CB 0.921 30.039 29.460 -0.570 0.000 1.199 326 W HN 0.102 nan 8.180 nan 0.000 0.579 327 D N 1.437 121.659 120.400 -0.297 0.000 2.349 327 D HA 0.134 4.776 4.640 0.003 0.000 0.215 327 D C 1.621 177.451 176.300 -0.783 0.000 1.016 327 D CA 0.744 54.519 54.000 -0.375 0.000 0.870 327 D CB -0.127 40.526 40.800 -0.244 0.000 0.917 327 D HN 0.737 nan 8.370 nan 0.000 0.524 328 G N 0.211 107.840 108.800 -1.951 0.000 2.241 328 G HA2 -0.235 3.727 3.960 0.003 0.000 0.244 328 G HA3 -0.235 3.727 3.960 0.003 0.000 0.244 328 G C 0.026 174.026 174.900 -1.500 0.000 0.998 328 G CA 0.141 43.970 45.100 -2.118 0.000 0.621 328 G HN 0.314 nan 8.290 nan 0.000 0.519 329 I N 2.459 122.444 120.570 -0.974 0.000 2.347 329 I HA 0.222 4.394 4.170 0.003 0.000 0.294 329 I C 0.661 176.670 176.117 -0.180 0.000 1.090 329 I CA -0.853 60.185 61.300 -0.437 0.000 1.314 329 I CB -0.466 37.365 38.000 -0.282 0.000 1.423 329 I HN 0.176 nan 8.210 nan 0.000 0.503 330 N N 5.577 124.217 118.700 -0.101 0.000 2.508 330 N HA 0.216 4.958 4.740 0.003 0.000 0.264 330 N C -0.269 175.277 175.510 0.060 0.000 1.216 330 N CA -0.259 52.781 53.050 -0.018 0.000 0.943 330 N CB 0.763 39.041 38.487 -0.349 0.000 1.113 330 N HN 0.421 nan 8.380 nan 0.000 0.447 331 Q N 1.495 121.393 119.800 0.163 0.000 2.345 331 Q HA 0.354 4.696 4.340 0.003 0.000 0.275 331 Q C -1.197 175.015 176.000 0.353 0.000 1.063 331 Q CA -0.823 55.116 55.803 0.227 0.000 0.819 331 Q CB 2.254 31.095 28.738 0.172 0.000 1.356 331 Q HN 0.395 nan 8.270 nan 0.000 0.418 332 L N 1.665 123.072 121.223 0.307 0.000 2.397 332 L HA 0.258 4.600 4.340 0.003 0.000 0.271 332 L C 0.540 177.531 176.870 0.203 0.000 1.148 332 L CA 0.565 55.566 54.840 0.268 0.000 0.825 332 L CB 0.889 43.063 42.059 0.191 0.000 1.117 332 L HN 0.805 nan 8.230 nan 0.000 0.456 333 S N 1.552 117.366 115.700 0.189 0.000 2.617 333 S HA 0.086 4.557 4.470 0.003 0.000 0.255 333 S C 1.378 176.053 174.600 0.126 0.000 1.318 333 S CA 0.047 58.343 58.200 0.160 0.000 0.978 333 S CB 0.447 63.760 63.200 0.189 0.000 0.961 333 S HN 0.762 nan 8.310 nan 0.000 0.582 334 S N 0.393 116.157 115.700 0.106 0.000 2.402 334 S HA -0.168 4.303 4.470 0.003 0.000 0.229 334 S C 1.308 175.958 174.600 0.084 0.000 1.021 334 S CA 1.158 59.410 58.200 0.087 0.000 0.974 334 S CB -0.954 62.288 63.200 0.070 0.000 0.800 334 S HN 0.891 nan 8.310 nan 0.000 0.484 335 D N 0.577 121.037 120.400 0.100 0.000 2.363 335 D HA 0.141 4.783 4.640 0.003 0.000 0.226 335 D C 1.554 177.890 176.300 0.060 0.000 1.020 335 D CA 0.825 54.877 54.000 0.086 0.000 0.892 335 D CB -0.941 39.926 40.800 0.113 0.000 0.900 335 D HN 0.660 nan 8.370 nan 0.000 0.531 336 G N 0.937 109.776 108.800 0.066 0.000 2.189 336 G HA2 -0.328 3.633 3.960 0.003 0.000 0.267 336 G HA3 -0.328 3.633 3.960 0.003 0.000 0.267 336 G C 1.065 175.952 174.900 -0.021 0.000 0.975 336 G CA 0.563 45.687 45.100 0.041 0.000 0.644 336 G HN 0.376 nan 8.290 nan 0.000 0.537 337 K N 0.123 120.461 120.400 -0.102 0.000 2.358 337 K HA 0.295 4.617 4.320 0.003 0.000 0.200 337 K C 0.489 176.758 176.600 -0.552 0.000 1.030 337 K CA 0.314 56.413 56.287 -0.312 0.000 1.097 337 K CB 0.419 32.665 32.500 -0.422 0.000 0.862 337 K HN 0.726 nan 8.250 nan 0.000 0.534 338 H N -1.936 117.086 119.070 -0.080 0.000 2.977 338 H HA 0.349 4.907 4.556 0.003 0.000 0.350 338 H C -1.194 174.083 175.328 -0.085 0.000 1.238 338 H CA -0.773 55.206 56.048 -0.116 0.000 1.124 338 H CB 1.092 30.843 29.762 -0.018 0.000 1.866 338 H HN -0.234 nan 8.280 nan 0.000 0.550 339 Y N 1.143 121.558 120.300 0.191 0.000 2.352 339 Y HA 0.159 4.711 4.550 0.002 0.000 0.326 339 Y C 1.544 177.509 175.900 0.108 0.000 1.166 339 Y CA -0.982 57.203 58.100 0.142 0.000 1.182 339 Y CB 0.723 39.258 38.460 0.126 0.000 1.216 339 Y HN 0.578 nan 8.280 nan 0.000 0.474 340 I N -1.306 119.452 120.570 0.314 0.000 2.928 340 I HA 0.000 4.172 4.170 0.003 0.000 0.266 340 I C 0.501 176.698 176.117 0.133 0.000 1.234 340 I CA 1.162 62.572 61.300 0.184 0.000 1.483 340 I CB -0.048 38.053 38.000 0.168 0.000 1.097 340 I HN 0.416 nan 8.210 nan 0.000 0.455 341 H N 2.951 122.025 119.070 0.007 0.000 2.572 341 H HA 0.372 4.930 4.556 0.003 0.000 0.359 341 H C -2.230 172.947 175.328 -0.252 0.000 1.134 341 H CA -1.985 53.933 56.048 -0.217 0.000 1.187 341 H CB 2.769 32.234 29.762 -0.494 0.000 1.597 341 H HN -0.093 nan 8.280 nan 0.000 0.524 342 P HA 0.073 nan 4.420 nan 0.000 0.257 342 P C 1.123 178.267 177.300 -0.260 0.000 1.281 342 P CA 0.357 63.291 63.100 -0.276 0.000 0.826 342 P CB 0.040 31.648 31.700 -0.153 0.000 1.237 343 G N 1.155 109.794 108.800 -0.268 0.000 2.469 343 G HA2 -0.268 3.694 3.960 0.003 0.000 0.219 343 G HA3 -0.268 3.694 3.960 0.003 0.000 0.219 343 G C 1.698 176.528 174.900 -0.116 0.000 1.150 343 G CA 0.804 45.639 45.100 -0.442 0.000 0.763 343 G HN 0.241 nan 8.290 nan 0.000 0.561 344 S N 0.893 116.588 115.700 -0.009 0.000 2.368 344 S HA 0.010 4.482 4.470 0.003 0.000 0.225 344 S C 2.783 177.254 174.600 -0.216 0.000 1.030 344 S CA 1.178 59.439 58.200 0.102 0.000 0.999 344 S CB -0.364 62.997 63.200 0.269 0.000 0.844 344 S HN 0.605 nan 8.310 nan 0.000 0.459 345 A N 1.167 123.889 122.820 -0.163 0.000 1.933 345 A HA -0.032 4.289 4.320 0.003 0.000 0.218 345 A C 2.023 179.508 177.584 -0.165 0.000 1.175 345 A CA 1.070 52.987 52.037 -0.199 0.000 0.628 345 A CB -0.604 18.240 19.000 -0.260 0.000 0.814 345 A HN 0.483 nan 8.150 nan 0.000 0.444 346 I N -0.612 119.886 120.570 -0.121 0.000 2.110 346 I HA -0.232 3.939 4.170 0.003 0.000 0.236 346 I C 2.394 178.557 176.117 0.077 0.000 1.068 346 I CA 1.155 62.443 61.300 -0.020 0.000 1.333 346 I CB -0.424 37.584 38.000 0.014 0.000 1.054 346 I HN 0.263 nan 8.210 nan 0.000 0.402 347 L N 0.543 121.831 121.223 0.109 0.000 2.043 347 L HA -0.296 4.045 4.340 0.003 0.000 0.212 347 L C 2.260 179.203 176.870 0.122 0.000 1.075 347 L CA 1.784 56.778 54.840 0.256 0.000 0.752 347 L CB -0.705 41.590 42.059 0.393 0.000 0.891 347 L HN 0.371 nan 8.230 nan 0.000 0.432 348 D N 0.439 120.644 120.400 -0.326 0.000 2.078 348 D HA -0.205 4.436 4.640 0.003 0.000 0.193 348 D C 2.123 178.376 176.300 -0.079 0.000 0.990 348 D CA 1.614 55.357 54.000 -0.428 0.000 0.827 348 D CB -0.066 40.249 40.800 -0.809 0.000 0.975 348 D HN 0.258 nan 8.370 nan 0.000 0.451 349 I N -0.633 119.910 120.570 -0.045 0.000 2.163 349 I HA -0.186 3.985 4.170 0.003 0.000 0.243 349 I C 2.164 178.319 176.117 0.064 0.000 1.085 349 I CA 1.120 62.426 61.300 0.009 0.000 1.347 349 I CB -0.497 37.510 38.000 0.011 0.000 1.044 349 I HN 0.292 nan 8.210 nan 0.000 0.408 350 W N 1.575 122.856 121.300 -0.032 0.000 2.317 350 W HA -0.273 4.388 4.660 0.002 0.000 0.318 350 W C 2.289 178.789 176.519 -0.032 0.000 1.227 350 W CA 1.387 58.728 57.345 -0.008 0.000 1.269 350 W CB -0.541 28.931 29.460 0.021 0.000 1.155 350 W HN -0.012 nan 8.180 nan 0.000 0.484 351 L N 1.336 122.431 121.223 -0.213 0.000 2.012 351 L HA -0.219 4.123 4.340 0.003 0.000 0.210 351 L C 2.402 179.069 176.870 -0.339 0.000 1.073 351 L CA 2.095 56.658 54.840 -0.463 0.000 0.748 351 L CB -1.570 40.397 42.059 -0.152 0.000 0.891 351 L HN 0.062 nan 8.230 nan 0.000 0.431 352 K N -0.965 119.337 120.400 -0.163 0.000 2.063 352 K HA -0.176 4.146 4.320 0.003 0.000 0.208 352 K C 1.939 178.442 176.600 -0.161 0.000 1.048 352 K CA 1.148 57.365 56.287 -0.117 0.000 0.928 352 K CB 0.004 32.474 32.500 -0.051 0.000 0.713 352 K HN 0.281 nan 8.250 nan 0.000 0.442 353 E N 0.472 120.557 120.200 -0.191 0.000 2.017 353 E HA -0.166 4.186 4.350 0.003 0.000 0.193 353 E C 2.048 178.496 176.600 -0.254 0.000 0.997 353 E CA 1.082 57.377 56.400 -0.175 0.000 0.804 353 E CB -0.167 29.460 29.700 -0.122 0.000 0.757 353 E HN 0.242 nan 8.360 nan 0.000 0.448 354 M N 0.457 119.780 119.600 -0.461 0.000 2.088 354 M HA -0.183 4.298 4.480 0.003 0.000 0.256 354 M C 2.564 178.652 176.300 -0.354 0.000 1.071 354 M CA 1.345 56.352 55.300 -0.487 0.000 1.097 354 M CB -1.163 30.910 32.600 -0.879 0.000 1.315 354 M HN 0.099 nan 8.290 nan 0.000 0.406 355 L N -0.625 120.410 121.223 -0.312 0.000 2.083 355 L HA -0.240 4.102 4.340 0.003 0.000 0.209 355 L C 2.396 179.177 176.870 -0.149 0.000 1.083 355 L CA 1.241 55.959 54.840 -0.203 0.000 0.752 355 L CB -0.620 41.361 42.059 -0.130 0.000 0.899 355 L HN 0.330 nan 8.230 nan 0.000 0.433 356 K N 0.025 120.345 120.400 -0.133 0.000 2.155 356 K HA -0.053 4.269 4.320 0.003 0.000 0.203 356 K C 2.133 178.667 176.600 -0.111 0.000 1.052 356 K CA 1.138 57.367 56.287 -0.096 0.000 0.948 356 K CB -0.145 32.310 32.500 -0.076 0.000 0.728 356 K HN 0.266 nan 8.250 nan 0.000 0.448 357 A N 1.049 123.783 122.820 -0.144 0.000 2.067 357 A HA -0.066 4.256 4.320 0.003 0.000 0.217 357 A C 1.945 179.397 177.584 -0.220 0.000 1.156 357 A CA 1.563 53.514 52.037 -0.142 0.000 0.683 357 A CB -0.369 18.561 19.000 -0.117 0.000 0.808 357 A HN 0.424 nan 8.150 nan 0.000 0.455 358 T N -2.475 111.900 114.554 -0.298 0.000 3.507 358 T HA 0.218 4.570 4.350 0.003 0.000 0.197 358 T C 1.641 176.188 174.700 -0.255 0.000 0.847 358 T CA 0.478 62.333 62.100 -0.409 0.000 1.531 358 T CB -0.784 67.697 68.868 -0.645 0.000 1.834 358 T HN 0.038 nan 8.240 nan 0.000 0.433 359 L N 1.771 122.865 121.223 -0.216 0.000 2.127 359 L HA 0.091 4.433 4.340 0.003 0.000 0.211 359 L C 2.993 179.813 176.870 -0.084 0.000 1.089 359 L CA 1.542 56.293 54.840 -0.147 0.000 0.757 359 L CB -0.918 41.084 42.059 -0.096 0.000 0.899 359 L HN 0.681 nan 8.230 nan 0.000 0.434 360 G N -1.322 107.433 108.800 -0.075 0.000 2.470 360 G HA2 -0.190 3.771 3.960 0.003 0.000 0.220 360 G HA3 -0.190 3.771 3.960 0.003 0.000 0.220 360 G C 1.582 176.447 174.900 -0.059 0.000 1.121 360 G CA 0.301 45.372 45.100 -0.049 0.000 0.766 360 G HN 0.286 nan 8.290 nan 0.000 0.553 361 Q N -0.089 119.662 119.800 -0.082 0.000 2.349 361 Q HA 0.008 4.349 4.340 0.003 0.000 0.209 361 Q C 2.725 178.683 176.000 -0.069 0.000 0.920 361 Q CA 1.540 57.300 55.803 -0.071 0.000 0.901 361 Q CB -0.154 28.537 28.738 -0.078 0.000 1.021 361 Q HN 0.631 nan 8.270 nan 0.000 0.519 362 T N -2.832 111.668 114.554 -0.089 0.000 3.051 362 T HA 0.173 4.524 4.350 0.003 0.000 0.255 362 T C 0.883 175.530 174.700 -0.088 0.000 1.085 362 T CA -0.064 61.982 62.100 -0.089 0.000 1.109 362 T CB 0.090 68.891 68.868 -0.112 0.000 0.921 362 T HN -0.122 nan 8.240 nan 0.000 0.488 363 V N 5.158 125.022 119.914 -0.083 0.000 2.350 363 V HA 0.385 4.506 4.120 0.003 0.000 0.276 363 V C -2.192 173.891 176.094 -0.018 0.000 1.028 363 V CA -2.401 59.861 62.300 -0.062 0.000 0.860 363 V CB 1.049 32.843 31.823 -0.050 0.000 0.990 363 V HN 0.314 nan 8.190 nan 0.000 0.453 364 P HA 0.157 nan 4.420 nan 0.000 0.268 364 P C -0.152 177.169 177.300 0.034 0.000 1.205 364 P CA 0.008 63.117 63.100 0.015 0.000 0.771 364 P CB 0.856 32.570 31.700 0.024 0.000 0.858 365 A N 5.308 128.107 122.820 -0.034 0.000 2.483 365 A HA 0.235 4.557 4.320 0.003 0.000 0.238 365 A C -1.156 176.301 177.584 -0.211 0.000 1.070 365 A CA -0.672 51.291 52.037 -0.124 0.000 0.770 365 A CB -0.873 18.062 19.000 -0.108 0.000 1.008 365 A HN 0.510 nan 8.150 nan 0.000 0.497 366 P HA 0.171 nan 4.420 nan 0.000 0.266 366 P C 0.302 177.163 177.300 -0.732 0.000 1.381 366 P CA 0.190 62.968 63.100 -0.536 0.000 0.940 366 P CB 0.039 31.427 31.700 -0.519 0.000 1.435 367 F N 1.999 121.614 119.950 -0.558 0.000 2.407 367 F HA -0.102 4.426 4.527 0.003 0.000 0.299 367 F C 2.097 177.627 175.800 -0.450 0.000 1.097 367 F CA 1.065 58.476 58.000 -0.982 0.000 1.422 367 F CB -0.972 37.440 39.000 -0.981 0.000 1.067 367 F HN -0.013 nan 8.300 nan 0.000 0.539 368 D N 1.028 121.403 120.400 -0.042 0.000 2.158 368 D HA -0.223 4.418 4.640 0.003 0.000 0.197 368 D C 1.558 177.923 176.300 0.109 0.000 0.995 368 D CA 1.203 55.270 54.000 0.111 0.000 0.846 368 D CB -0.724 40.089 40.800 0.022 0.000 0.941 368 D HN 0.240 nan 8.370 nan 0.000 0.456 369 K N -0.200 120.184 120.400 -0.027 0.000 2.218 369 K HA -0.146 4.175 4.320 0.003 0.000 0.205 369 K C 1.866 178.536 176.600 0.117 0.000 1.046 369 K CA 0.937 57.237 56.287 0.023 0.000 0.933 369 K CB -0.313 32.179 32.500 -0.012 0.000 0.728 369 K HN 0.331 nan 8.250 nan 0.000 0.454 370 W N 0.015 121.166 121.300 -0.248 0.000 2.525 370 W HA -0.084 4.577 4.660 0.003 0.000 0.259 370 W C 0.981 177.069 176.519 -0.718 0.000 1.253 370 W CA 0.543 57.589 57.345 -0.498 0.000 1.262 370 W CB -0.587 28.317 29.460 -0.927 0.000 1.122 370 W HN 0.159 nan 8.180 nan 0.000 0.607 371 Y N -1.810 118.640 120.300 0.249 0.000 2.527 371 Y HA 0.263 4.814 4.550 0.003 0.000 0.247 371 Y C 1.758 177.691 175.900 0.055 0.000 1.138 371 Y CA -0.176 58.006 58.100 0.137 0.000 1.228 371 Y CB -0.690 37.830 38.460 0.099 0.000 1.252 371 Y HN -0.253 nan 8.280 nan 0.000 0.531 372 L N -0.064 121.236 121.223 0.128 0.000 2.446 372 L HA 0.271 4.612 4.340 0.003 0.000 0.219 372 L C 1.300 178.192 176.870 0.037 0.000 1.116 372 L CA -0.080 54.797 54.840 0.060 0.000 0.844 372 L CB -0.118 41.964 42.059 0.037 0.000 0.970 372 L HN 0.159 nan 8.230 nan 0.000 0.457 373 A N 0.074 122.925 122.820 0.051 0.000 2.425 373 A HA 0.229 4.550 4.320 0.003 0.000 0.249 373 A C 1.298 178.911 177.584 0.048 0.000 1.084 373 A CA 0.297 52.362 52.037 0.047 0.000 0.781 373 A CB 0.442 19.470 19.000 0.047 0.000 1.019 373 A HN 0.322 nan 8.150 nan 0.000 0.490 374 S N 1.354 117.101 115.700 0.078 0.000 2.501 374 S HA 0.371 4.843 4.470 0.003 0.000 0.220 374 S C 1.352 176.009 174.600 0.096 0.000 0.997 374 S CA 0.816 59.090 58.200 0.123 0.000 0.919 374 S CB 0.058 63.402 63.200 0.240 0.000 0.778 374 S HN 2.517 nan 8.310 nan 0.000 0.523 375 G N 0.214 109.041 108.800 0.046 0.000 2.176 375 G HA2 -0.267 3.694 3.960 0.003 0.000 0.232 375 G HA3 -0.267 3.694 3.960 0.003 0.000 0.232 375 G C 0.302 175.121 174.900 -0.135 0.000 0.986 375 G CA 0.263 45.318 45.100 -0.076 0.000 0.643 375 G HN 0.567 nan 8.290 nan 0.000 0.522 376 Y N 0.869 121.181 120.300 0.020 0.000 2.457 376 Y HA 0.402 4.953 4.550 0.003 0.000 0.263 376 Y C 1.121 177.023 175.900 0.003 0.000 1.164 376 Y CA 0.138 58.250 58.100 0.020 0.000 1.274 376 Y CB 0.426 38.918 38.460 0.053 0.000 1.097 376 Y HN 0.217 nan 8.280 nan 0.000 0.523 377 E N 1.300 121.577 120.200 0.130 0.000 2.351 377 E HA -0.006 4.346 4.350 0.003 0.000 0.241 377 E C 0.299 176.924 176.600 0.041 0.000 1.243 377 E CA 0.380 56.828 56.400 0.079 0.000 0.963 377 E CB -0.242 29.494 29.700 0.059 0.000 1.042 377 E HN 0.131 nan 8.360 nan 0.000 0.468 378 T N 1.253 115.830 114.554 0.039 0.000 2.867 378 T HA 0.552 4.904 4.350 0.003 0.000 0.286 378 T C 0.545 175.252 174.700 0.011 0.000 1.022 378 T CA -0.633 61.466 62.100 -0.003 0.000 0.933 378 T CB 0.992 69.862 68.868 0.004 0.000 1.280 378 T HN 0.386 nan 8.240 nan 0.000 0.566 379 T N -0.295 114.261 114.554 0.004 0.000 2.626 379 T HA 0.244 4.595 4.350 0.003 0.000 0.279 379 T C 1.228 175.938 174.700 0.016 0.000 0.983 379 T CA -0.905 61.207 62.100 0.018 0.000 1.059 379 T CB 1.159 70.045 68.868 0.031 0.000 1.396 379 T HN 0.633 nan 8.240 nan 0.000 0.519 380 Q N 0.667 120.481 119.800 0.023 0.000 2.083 380 Q HA 0.024 4.365 4.340 0.003 0.000 0.198 380 Q C 1.409 177.438 176.000 0.048 0.000 0.969 380 Q CA 1.504 57.320 55.803 0.021 0.000 0.838 380 Q CB -0.262 28.485 28.738 0.015 0.000 0.900 380 Q HN 0.695 nan 8.270 nan 0.000 0.436 381 E N 0.724 120.955 120.200 0.052 0.000 2.435 381 E HA 0.183 4.534 4.350 0.003 0.000 0.195 381 E C 0.436 177.054 176.600 0.029 0.000 1.029 381 E CA 0.225 56.667 56.400 0.071 0.000 0.865 381 E CB 0.414 30.154 29.700 0.066 0.000 0.833 381 E HN 0.477 nan 8.360 nan 0.000 0.510 382 G N 1.641 110.443 108.800 0.003 0.000 2.592 382 G HA2 -0.161 3.801 3.960 0.003 0.000 0.684 382 G HA3 -0.161 3.801 3.960 0.003 0.000 0.684 382 G C -2.911 171.956 174.900 -0.056 0.000 1.291 382 G CA -1.226 43.840 45.100 -0.058 0.000 0.891 382 G HN -0.121 nan 8.290 nan 0.000 0.544 383 P HA 0.219 nan 4.420 nan 0.000 0.269 383 P C 1.321 178.713 177.300 0.154 0.000 1.209 383 P CA 0.785 63.850 63.100 -0.058 0.000 0.776 383 P CB 0.617 32.161 31.700 -0.261 0.000 0.876 384 T N -0.985 113.674 114.554 0.175 0.000 3.055 384 T HA 0.212 4.564 4.350 0.003 0.000 0.265 384 T C 0.956 175.820 174.700 0.272 0.000 1.111 384 T CA 0.873 63.102 62.100 0.214 0.000 1.118 384 T CB -0.414 68.557 68.868 0.172 0.000 0.909 384 T HN 0.490 nan 8.240 nan 0.000 0.501 385 G N 1.043 110.037 108.800 0.324 0.000 3.003 385 G HA2 0.518 4.479 3.960 0.003 0.000 0.243 385 G HA3 0.518 4.479 3.960 0.003 0.000 0.243 385 G C -0.590 174.588 174.900 0.462 0.000 1.176 385 G CA -0.163 45.078 45.100 0.235 0.000 0.812 385 G HN 0.513 nan 8.290 nan 0.000 0.584 386 S N -0.821 115.062 115.700 0.305 0.000 2.614 386 S HA 0.636 5.108 4.470 0.003 0.000 0.265 386 S C -0.447 174.309 174.600 0.260 0.000 1.303 386 S CA -0.302 58.140 58.200 0.403 0.000 1.000 386 S CB 1.232 64.617 63.200 0.308 0.000 0.935 386 S HN 0.425 nan 8.310 nan 0.000 0.551 387 L N 2.469 123.835 121.223 0.238 0.000 2.322 387 L HA 0.646 4.988 4.340 0.003 0.000 0.279 387 L C 0.087 176.881 176.870 -0.127 0.000 1.036 387 L CA 0.025 54.884 54.840 0.031 0.000 0.807 387 L CB 1.308 43.397 42.059 0.049 0.000 1.226 387 L HN 0.903 nan 8.230 nan 0.000 0.433 388 N N 1.705 120.296 118.700 -0.181 0.000 2.647 388 N HA 0.484 5.226 4.740 0.003 0.000 0.266 388 N C -1.092 174.290 175.510 -0.212 0.000 1.373 388 N CA -0.573 52.323 53.050 -0.256 0.000 0.807 388 N CB 1.592 39.939 38.487 -0.234 0.000 1.513 388 N HN 0.348 nan 8.380 nan 0.000 0.505 389 I N 1.177 121.631 120.570 -0.192 0.000 2.496 389 I HA 0.103 4.275 4.170 0.003 0.000 0.285 389 I C 1.230 177.295 176.117 -0.086 0.000 1.080 389 I CA -0.101 61.141 61.300 -0.097 0.000 1.404 389 I CB 0.734 38.698 38.000 -0.060 0.000 1.403 389 I HN 0.501 nan 8.210 nan 0.000 0.539 390 S N 3.146 118.824 115.700 -0.038 0.000 2.608 390 S HA 0.133 4.605 4.470 0.003 0.000 0.261 390 S C 1.182 175.790 174.600 0.014 0.000 1.314 390 S CA -0.334 57.853 58.200 -0.023 0.000 0.992 390 S CB 0.915 64.117 63.200 0.003 0.000 0.935 390 S HN 0.683 nan 8.310 nan 0.000 0.564 391 T N 1.540 116.110 114.554 0.026 0.000 2.708 391 T HA -0.007 4.345 4.350 0.003 0.000 0.266 391 T C 2.071 176.900 174.700 0.214 0.000 1.037 391 T CA 1.630 63.788 62.100 0.097 0.000 1.146 391 T CB -1.284 67.648 68.868 0.107 0.000 0.865 391 T HN 0.851 nan 8.240 nan 0.000 0.435 392 G N 1.349 110.285 108.800 0.226 0.000 2.459 392 G HA2 -0.092 3.870 3.960 0.003 0.000 0.217 392 G HA3 -0.092 3.870 3.960 0.003 0.000 0.217 392 G C 1.873 176.853 174.900 0.134 0.000 1.183 392 G CA 0.954 46.189 45.100 0.224 0.000 0.776 392 G HN 0.601 nan 8.290 nan 0.000 0.552 393 A N 0.401 123.288 122.820 0.111 0.000 2.019 393 A HA -0.004 4.317 4.320 0.003 0.000 0.219 393 A C 2.298 180.083 177.584 0.335 0.000 1.164 393 A CA 1.974 54.119 52.037 0.179 0.000 0.644 393 A CB -0.304 18.791 19.000 0.160 0.000 0.805 393 A HN 0.411 nan 8.150 nan 0.000 0.449 394 K N -1.074 119.450 120.400 0.207 0.000 2.103 394 K HA -0.010 4.311 4.320 0.003 0.000 0.204 394 K C 1.655 178.383 176.600 0.214 0.000 1.052 394 K CA 0.862 57.257 56.287 0.181 0.000 0.945 394 K CB -0.212 32.328 32.500 0.067 0.000 0.722 394 K HN 0.305 nan 8.250 nan 0.000 0.443 395 L N 1.286 122.609 121.223 0.166 0.000 2.109 395 L HA -0.091 4.251 4.340 0.003 0.000 0.207 395 L C 2.007 178.941 176.870 0.106 0.000 1.086 395 L CA 1.312 56.217 54.840 0.109 0.000 0.760 395 L CB -0.672 41.423 42.059 0.059 0.000 0.910 395 L HN 0.217 nan 8.230 nan 0.000 0.437 396 L N -2.023 119.286 121.223 0.143 0.000 2.056 396 L HA -0.267 4.075 4.340 0.003 0.000 0.207 396 L C 2.530 179.542 176.870 0.237 0.000 1.078 396 L CA 1.539 56.458 54.840 0.131 0.000 0.749 396 L CB -0.384 41.730 42.059 0.091 0.000 0.901 396 L HN 0.296 nan 8.230 nan 0.000 0.433 397 Y N 1.123 121.560 120.300 0.229 0.000 2.181 397 Y HA -0.310 4.241 4.550 0.003 0.000 0.288 397 Y C 2.509 178.418 175.900 0.016 0.000 1.146 397 Y CA 2.084 60.242 58.100 0.097 0.000 1.164 397 Y CB -0.048 38.428 38.460 0.026 0.000 0.982 397 Y HN 0.237 nan 8.280 nan 0.000 0.515 398 E N -0.329 119.953 120.200 0.135 0.000 2.085 398 E HA -0.212 4.140 4.350 0.003 0.000 0.194 398 E C 2.523 179.101 176.600 -0.036 0.000 0.994 398 E CA 1.585 58.015 56.400 0.050 0.000 0.801 398 E CB -0.544 29.216 29.700 0.099 0.000 0.743 398 E HN 0.385 nan 8.360 nan 0.000 0.453 399 S N -0.815 114.885 115.700 0.000 0.000 2.345 399 S HA -0.062 4.409 4.470 0.003 0.000 0.220 399 S C 1.938 176.517 174.600 -0.035 0.000 1.031 399 S CA 1.046 59.269 58.200 0.038 0.000 0.996 399 S CB -0.359 62.929 63.200 0.146 0.000 0.882 399 S HN 0.323 nan 8.310 nan 0.000 0.445 400 L N 0.932 122.062 121.223 -0.154 0.000 2.129 400 L HA -0.117 4.224 4.340 0.003 0.000 0.212 400 L C 2.403 179.044 176.870 -0.382 0.000 1.087 400 L CA 0.722 55.284 54.840 -0.463 0.000 0.757 400 L CB -0.550 40.816 42.059 -1.156 0.000 0.896 400 L HN 0.340 nan 8.230 nan 0.000 0.434 401 L N -0.364 120.659 121.223 -0.333 0.000 2.275 401 L HA -0.133 4.209 4.340 0.003 0.000 0.215 401 L C 1.460 178.307 176.870 -0.038 0.000 1.119 401 L CA 1.258 56.014 54.840 -0.141 0.000 0.790 401 L CB -0.538 41.372 42.059 -0.249 0.000 0.919 401 L HN 0.304 nan 8.230 nan 0.000 0.443 402 E N -0.581 119.590 120.200 -0.049 0.000 3.357 402 E HA -0.399 3.952 4.350 0.003 0.000 0.416 402 E C 1.158 177.755 176.600 -0.006 0.000 1.565 402 E CA 1.848 58.236 56.400 -0.019 0.000 1.422 402 E CB -1.335 28.358 29.700 -0.013 0.000 1.536 402 E HN 0.663 nan 8.360 nan 0.000 0.459 403 D N 1.219 121.620 120.400 0.001 0.000 2.309 403 D HA -0.138 4.504 4.640 0.003 0.000 0.212 403 D C 1.348 177.653 176.300 0.008 0.000 0.968 403 D CA 1.371 55.374 54.000 0.005 0.000 0.882 403 D CB -0.157 40.645 40.800 0.005 0.000 0.918 403 D HN 0.214 nan 8.370 nan 0.000 0.503 404 K N 0.401 120.806 120.400 0.008 0.000 2.366 404 K HA 0.017 4.338 4.320 0.003 0.000 0.198 404 K C 0.964 177.574 176.600 0.017 0.000 1.044 404 K CA 0.070 56.364 56.287 0.013 0.000 0.973 404 K CB 0.319 32.827 32.500 0.014 0.000 0.767 404 K HN -0.047 nan 8.250 nan 0.000 0.475 405 S N 1.419 117.125 115.700 0.009 0.000 2.499 405 S HA 0.200 4.671 4.470 0.003 0.000 0.279 405 S C -1.867 172.749 174.600 0.026 0.000 1.219 405 S CA -1.741 56.472 58.200 0.022 0.000 1.062 405 S CB 0.907 64.112 63.200 0.009 0.000 0.978 405 S HN -0.009 nan 8.310 nan 0.000 0.489 406 P HA 0.160 nan 4.420 nan 0.000 0.245 406 P C -0.195 177.124 177.300 0.032 0.000 1.212 406 P CA 0.112 63.231 63.100 0.032 0.000 0.774 406 P CB -0.000 31.723 31.700 0.039 0.000 0.999 407 I N 0.653 121.243 120.570 0.033 0.000 2.315 407 I HA 0.127 4.298 4.170 0.003 0.000 0.291 407 I C 0.558 176.688 176.117 0.021 0.000 1.006 407 I CA -0.501 60.818 61.300 0.030 0.000 1.265 407 I CB 0.937 38.960 38.000 0.038 0.000 1.387 407 I HN -0.177 nan 8.210 nan 0.000 0.475 408 S N 6.486 122.196 115.700 0.017 0.000 2.516 408 S HA 0.098 4.570 4.470 0.003 0.000 0.282 408 S C 0.491 175.096 174.600 0.009 0.000 1.286 408 S CA -0.568 57.639 58.200 0.013 0.000 1.066 408 S CB 0.333 63.539 63.200 0.011 0.000 0.884 408 S HN 0.372 nan 8.310 nan 0.000 0.491 409 Q N 2.643 122.449 119.800 0.010 0.000 2.835 409 Q HA 0.218 4.560 4.340 0.003 0.000 0.235 409 Q C 0.891 176.893 176.000 0.003 0.000 1.313 409 Q CA -0.114 55.694 55.803 0.008 0.000 1.053 409 Q CB 0.141 28.891 28.738 0.021 0.000 1.443 409 Q HN 0.665 nan 8.270 nan 0.000 0.576 410 S N 0.623 116.320 115.700 -0.005 0.000 2.374 410 S HA -0.075 4.396 4.470 0.003 0.000 0.227 410 S C 1.029 175.622 174.600 -0.012 0.000 1.037 410 S CA 0.871 59.066 58.200 -0.008 0.000 1.024 410 S CB 0.217 63.409 63.200 -0.014 0.000 0.861 410 S HN 0.463 nan 8.310 nan 0.000 0.456 411 I N 2.166 122.724 120.570 -0.021 0.000 2.377 411 I HA 0.278 4.450 4.170 0.003 0.000 0.293 411 I C -0.342 175.768 176.117 -0.012 0.000 0.987 411 I CA -1.250 60.035 61.300 -0.025 0.000 1.185 411 I CB 1.367 39.337 38.000 -0.049 0.000 1.341 411 I HN 0.017 nan 8.210 nan 0.000 0.455 412 D N 6.008 126.412 120.400 0.007 0.000 2.344 412 D HA 0.060 4.701 4.640 0.003 0.000 0.253 412 D C 1.020 177.335 176.300 0.025 0.000 1.255 412 D CA -0.263 53.765 54.000 0.047 0.000 0.894 412 D CB 0.927 41.767 40.800 0.066 0.000 1.067 412 D HN 0.215 nan 8.370 nan 0.000 0.492 413 L N 3.915 125.138 121.223 -0.000 0.000 2.081 413 L HA -0.149 4.193 4.340 0.003 0.000 0.212 413 L C 1.709 178.416 176.870 -0.272 0.000 1.080 413 L CA 1.460 56.203 54.840 -0.162 0.000 0.754 413 L CB -0.778 41.138 42.059 -0.238 0.000 0.893 413 L HN 0.505 nan 8.230 nan 0.000 0.433 414 F N -0.791 119.137 119.950 -0.036 0.000 2.811 414 F HA 0.029 4.557 4.527 0.003 0.000 0.301 414 F C 1.565 177.353 175.800 -0.021 0.000 1.151 414 F CA 0.393 58.377 58.000 -0.027 0.000 1.412 414 F CB -0.403 38.586 39.000 -0.018 0.000 1.113 414 F HN -0.067 nan 8.300 nan 0.000 0.579 415 S N 0.458 116.215 115.700 0.095 0.000 3.614 415 S HA -0.161 4.310 4.470 0.003 0.000 0.360 415 S C 1.490 176.132 174.600 0.070 0.000 1.023 415 S CA 0.598 58.830 58.200 0.054 0.000 1.114 415 S CB -1.738 61.472 63.200 0.018 0.000 0.907 415 S HN 1.017 nan 8.310 nan 0.000 0.470 416 G N -0.534 108.320 108.800 0.089 0.000 2.284 416 G HA2 -0.321 3.641 3.960 0.003 0.000 0.247 416 G HA3 -0.321 3.641 3.960 0.003 0.000 0.247 416 G C -0.159 174.780 174.900 0.064 0.000 1.012 416 G CA 0.439 45.577 45.100 0.062 0.000 0.618 416 G HN 0.709 nan 8.290 nan 0.000 0.521 417 Q N 1.469 121.329 119.800 0.100 0.000 2.314 417 Q HA 0.448 4.789 4.340 0.003 0.000 0.258 417 Q C -2.408 173.621 176.000 0.048 0.000 0.954 417 Q CA -1.593 54.262 55.803 0.087 0.000 0.890 417 Q CB 0.659 29.474 28.738 0.129 0.000 1.210 417 Q HN 0.216 nan 8.270 nan 0.000 0.410 418 P HA -0.136 nan 4.420 nan 0.000 0.264 418 P C 0.060 177.265 177.300 -0.159 0.000 1.193 418 P CA 0.249 63.303 63.100 -0.076 0.000 0.763 418 P CB 0.523 32.203 31.700 -0.034 0.000 0.810 419 Q N 2.884 122.441 119.800 -0.404 0.000 2.170 419 Q HA -0.225 4.116 4.340 0.003 0.000 0.203 419 Q C 0.886 176.767 176.000 -0.197 0.000 0.976 419 Q CA 1.715 57.095 55.803 -0.705 0.000 0.858 419 Q CB -0.702 27.217 28.738 -1.366 0.000 0.907 419 Q HN 0.476 nan 8.270 nan 0.000 0.433 420 N N 0.789 119.435 118.700 -0.090 0.000 2.381 420 N HA -0.119 4.622 4.740 0.003 0.000 0.182 420 N C 0.768 176.315 175.510 0.061 0.000 1.025 420 N CA 0.831 53.896 53.050 0.025 0.000 0.888 420 N CB 0.056 38.558 38.487 0.025 0.000 0.965 420 N HN 0.305 nan 8.380 nan 0.000 0.438 421 D N 0.429 120.855 120.400 0.044 0.000 2.103 421 D HA -0.080 4.562 4.640 0.003 0.000 0.199 421 D C 2.099 178.470 176.300 0.119 0.000 0.978 421 D CA 0.705 54.747 54.000 0.070 0.000 0.829 421 D CB -0.422 40.412 40.800 0.057 0.000 0.981 421 D HN -0.019 nan 8.370 nan 0.000 0.464 422 V N 1.266 121.274 119.914 0.157 0.000 2.392 422 V HA -0.215 3.906 4.120 0.003 0.000 0.249 422 V C 2.452 178.707 176.094 0.269 0.000 1.059 422 V CA 1.144 63.582 62.300 0.229 0.000 1.051 422 V CB -0.416 31.643 31.823 0.393 0.000 0.658 422 V HN 0.214 nan 8.190 nan 0.000 0.455 423 I N -0.544 120.211 120.570 0.308 0.000 2.202 423 I HA -0.225 3.946 4.170 0.003 0.000 0.242 423 I C 2.807 179.129 176.117 0.342 0.000 1.091 423 I CA 1.583 63.145 61.300 0.437 0.000 1.368 423 I CB -0.475 37.760 38.000 0.391 0.000 1.058 423 I HN 0.194 nan 8.210 nan 0.000 0.410 424 R N 0.818 121.442 120.500 0.206 0.000 2.083 424 R HA -0.213 4.128 4.340 0.003 0.000 0.237 424 R C 2.393 178.786 176.300 0.155 0.000 1.137 424 R CA 1.563 57.751 56.100 0.146 0.000 0.951 424 R CB -0.298 30.059 30.300 0.094 0.000 0.851 424 R HN 0.299 nan 8.270 nan 0.000 0.434 425 K N 0.373 120.865 120.400 0.153 0.000 2.002 425 K HA -0.150 4.171 4.320 0.003 0.000 0.209 425 K C 2.031 178.727 176.600 0.161 0.000 1.048 425 K CA 2.082 58.448 56.287 0.132 0.000 0.930 425 K CB -0.145 32.422 32.500 0.111 0.000 0.714 425 K HN 0.287 nan 8.250 nan 0.000 0.438 426 T N -0.428 114.252 114.554 0.210 0.000 2.915 426 T HA -0.080 4.271 4.350 0.003 0.000 0.269 426 T C 2.040 176.962 174.700 0.369 0.000 1.071 426 T CA 0.829 63.067 62.100 0.231 0.000 1.132 426 T CB -0.226 68.715 68.868 0.122 0.000 0.878 426 T HN 0.167 nan 8.240 nan 0.000 0.479 427 L N 0.911 122.364 121.223 0.384 0.000 2.027 427 L HA -0.035 4.307 4.340 0.003 0.000 0.206 427 L C 2.707 179.713 176.870 0.227 0.000 1.074 427 L CA 1.224 56.235 54.840 0.285 0.000 0.745 427 L CB -0.576 41.564 42.059 0.136 0.000 0.898 427 L HN 0.233 nan 8.230 nan 0.000 0.433 428 N N -0.702 118.107 118.700 0.182 0.000 2.223 428 N HA -0.153 4.589 4.740 0.003 0.000 0.185 428 N C 1.755 177.382 175.510 0.194 0.000 1.016 428 N CA 1.652 54.802 53.050 0.167 0.000 0.863 428 N CB -0.505 38.051 38.487 0.114 0.000 0.983 428 N HN 0.234 nan 8.380 nan 0.000 0.429 429 T N 0.049 114.704 114.554 0.167 0.000 2.812 429 T HA -0.050 4.302 4.350 0.003 0.000 0.264 429 T C 1.858 176.637 174.700 0.132 0.000 1.042 429 T CA 1.376 63.553 62.100 0.129 0.000 1.140 429 T CB -0.401 68.524 68.868 0.095 0.000 0.870 429 T HN 0.286 nan 8.240 nan 0.000 0.445 430 T N 1.065 115.727 114.554 0.179 0.000 2.684 430 T HA -0.133 4.219 4.350 0.003 0.000 0.267 430 T C 1.601 176.377 174.700 0.126 0.000 1.036 430 T CA 1.328 63.522 62.100 0.157 0.000 1.148 430 T CB -0.548 68.466 68.868 0.242 0.000 0.863 430 T HN 0.457 nan 8.240 nan 0.000 0.436 431 Y N 1.839 122.192 120.300 0.088 0.000 2.165 431 Y HA -0.238 4.314 4.550 0.003 0.000 0.286 431 Y C 2.713 178.668 175.900 0.091 0.000 1.155 431 Y CA 1.846 60.011 58.100 0.108 0.000 1.164 431 Y CB -0.380 38.155 38.460 0.125 0.000 0.978 431 Y HN 0.075 nan 8.280 nan 0.000 0.513 432 Q N 0.762 120.619 119.800 0.094 0.000 2.119 432 Q HA -0.141 4.200 4.340 0.003 0.000 0.201 432 Q C 1.972 177.919 176.000 -0.088 0.000 0.972 432 Q CA 1.934 57.737 55.803 0.001 0.000 0.847 432 Q CB -0.155 28.633 28.738 0.083 0.000 0.903 432 Q HN 0.497 nan 8.270 nan 0.000 0.433 433 K N -0.906 119.449 120.400 -0.076 0.000 2.057 433 K HA -0.059 4.262 4.320 0.003 0.000 0.206 433 K C 2.016 178.486 176.600 -0.216 0.000 1.050 433 K CA 1.217 57.432 56.287 -0.120 0.000 0.935 433 K CB -0.088 32.366 32.500 -0.077 0.000 0.715 433 K HN 0.230 nan 8.250 nan 0.000 0.439 434 M N 0.774 120.223 119.600 -0.252 0.000 2.080 434 M HA -0.157 4.325 4.480 0.003 0.000 0.260 434 M C 2.258 178.291 176.300 -0.445 0.000 1.068 434 M CA 1.407 56.452 55.300 -0.425 0.000 1.109 434 M CB -0.668 31.515 32.600 -0.695 0.000 1.342 434 M HN 0.117 nan 8.290 nan 0.000 0.405 435 I N 0.587 120.973 120.570 -0.308 0.000 2.163 435 I HA -0.282 3.890 4.170 0.003 0.000 0.243 435 I C 2.541 178.603 176.117 -0.091 0.000 1.085 435 I CA 1.632 62.874 61.300 -0.097 0.000 1.347 435 I CB -1.208 36.669 38.000 -0.205 0.000 1.044 435 I HN 0.468 nan 8.210 nan 0.000 0.408 436 E N 1.448 121.559 120.200 -0.148 0.000 2.152 436 E HA -0.212 4.140 4.350 0.003 0.000 0.192 436 E C 1.850 178.314 176.600 -0.226 0.000 0.983 436 E CA 1.128 57.445 56.400 -0.139 0.000 0.818 436 E CB 0.062 29.696 29.700 -0.109 0.000 0.758 436 E HN 0.502 nan 8.360 nan 0.000 0.467 437 K N -0.714 119.450 120.400 -0.394 0.000 2.166 437 K HA -0.014 4.308 4.320 0.003 0.000 0.201 437 K C 1.151 177.279 176.600 -0.787 0.000 1.052 437 K CA 0.815 56.708 56.287 -0.658 0.000 0.969 437 K CB 0.112 32.010 32.500 -1.004 0.000 0.761 437 K HN 0.173 nan 8.250 nan 0.000 0.459 438 Y N 0.355 120.500 120.300 -0.258 0.000 2.467 438 Y HA 0.297 4.848 4.550 0.003 0.000 0.250 438 Y C 0.763 176.731 175.900 0.114 0.000 1.155 438 Y CA -0.099 57.889 58.100 -0.187 0.000 1.249 438 Y CB 1.008 39.155 38.460 -0.520 0.000 1.146 438 Y HN 0.147 nan 8.280 nan 0.000 0.524 439 G N 0.227 109.137 108.800 0.184 0.000 2.612 439 G HA2 -0.204 3.757 3.960 0.003 0.000 0.686 439 G HA3 -0.204 3.757 3.960 0.003 0.000 0.686 439 G C -0.230 174.843 174.900 0.289 0.000 1.274 439 G CA -0.299 44.928 45.100 0.212 0.000 0.849 439 G HN 0.102 nan 8.290 nan 0.000 0.595 440 D N -0.080 120.404 120.400 0.140 0.000 2.183 440 D HA -0.046 4.595 4.640 0.003 0.000 0.203 440 D C 1.207 177.507 176.300 -0.001 0.000 0.969 440 D CA 1.040 55.093 54.000 0.090 0.000 0.842 440 D CB 0.073 40.902 40.800 0.049 0.000 0.957 440 D HN 0.350 nan 8.370 nan 0.000 0.484 441 N N 1.068 119.734 118.700 -0.057 0.000 2.500 441 N HA 0.093 4.834 4.740 0.003 0.000 0.236 441 N C -2.039 173.193 175.510 -0.463 0.000 1.022 441 N CA -1.953 50.982 53.050 -0.191 0.000 0.935 441 N CB 1.704 40.122 38.487 -0.116 0.000 1.147 441 N HN -0.250 nan 8.380 nan 0.000 0.512 442 P HA -0.156 nan 4.420 nan 0.000 0.217 442 P C 0.760 177.522 177.300 -0.898 0.000 1.148 442 P CA 1.305 63.335 63.100 -1.782 0.000 0.834 442 P CB 0.240 31.052 31.700 -1.480 0.000 0.783 443 A N -0.743 121.784 122.820 -0.488 0.000 2.019 443 A HA -0.160 4.162 4.320 0.003 0.000 0.219 443 A C 1.761 179.237 177.584 -0.180 0.000 1.164 443 A CA 1.559 53.434 52.037 -0.271 0.000 0.644 443 A CB -0.925 17.962 19.000 -0.188 0.000 0.805 443 A HN 0.165 nan 8.150 nan 0.000 0.449 444 N N -1.219 117.380 118.700 -0.168 0.000 2.235 444 N HA 0.047 4.789 4.740 0.003 0.000 0.209 444 N C -0.912 174.647 175.510 0.081 0.000 1.122 444 N CA -0.232 52.789 53.050 -0.048 0.000 0.845 444 N CB 0.032 38.501 38.487 -0.030 0.000 1.004 444 N HN 0.465 nan 8.380 nan 0.000 0.499 445 W N 1.874 123.119 121.300 -0.091 0.000 2.308 445 W HA 0.225 4.886 4.660 0.003 0.000 0.324 445 W C 0.513 176.921 176.519 -0.186 0.000 1.387 445 W CA -0.456 56.829 57.345 -0.100 0.000 1.250 445 W CB 0.036 29.394 29.460 -0.171 0.000 1.257 445 W HN -0.051 nan 8.180 nan 0.000 0.554 446 Q N 2.443 122.254 119.800 0.019 0.000 2.523 446 Q HA 0.155 4.497 4.340 0.003 0.000 0.251 446 Q C 0.354 176.246 176.000 -0.180 0.000 1.033 446 Q CA -0.300 55.369 55.803 -0.224 0.000 0.746 446 Q CB 1.106 29.515 28.738 -0.547 0.000 1.189 446 Q HN 0.397 nan 8.270 nan 0.000 0.508 447 T N -0.373 114.036 114.554 -0.243 0.000 2.907 447 T HA 0.335 4.687 4.350 0.003 0.000 0.298 447 T C -2.141 172.611 174.700 0.085 0.000 1.017 447 T CA -1.592 60.340 62.100 -0.280 0.000 1.118 447 T CB 0.713 69.303 68.868 -0.463 0.000 0.948 447 T HN 0.205 nan 8.240 nan 0.000 0.531 448 P HA 0.293 nan 4.420 nan 0.000 0.271 448 P C -0.398 176.727 177.300 -0.291 0.000 1.220 448 P CA -0.332 62.763 63.100 -0.010 0.000 0.768 448 P CB 0.432 32.145 31.700 0.021 0.000 0.848 449 A N 3.721 126.220 122.820 -0.535 0.000 2.322 449 A HA 0.437 4.758 4.320 0.003 0.000 0.269 449 A C 0.350 177.660 177.584 -0.456 0.000 1.094 449 A CA -0.210 51.165 52.037 -1.103 0.000 0.807 449 A CB -0.172 18.329 19.000 -0.830 0.000 1.047 449 A HN 0.504 nan 8.150 nan 0.000 0.487 450 T N 1.980 116.376 114.554 -0.262 0.000 2.749 450 T HA 0.516 4.867 4.350 0.003 0.000 0.295 450 T C 0.609 175.307 174.700 -0.003 0.000 0.936 450 T CA 0.457 62.542 62.100 -0.025 0.000 1.060 450 T CB 0.880 69.797 68.868 0.083 0.000 0.904 450 T HN 0.976 nan 8.240 nan 0.000 0.500 451 A N 3.614 126.415 122.820 -0.032 0.000 2.274 451 A HA 0.891 5.213 4.320 0.003 0.000 0.297 451 A C -0.537 176.970 177.584 -0.129 0.000 1.191 451 A CA -0.751 51.233 52.037 -0.089 0.000 0.889 451 A CB 0.574 19.593 19.000 0.032 0.000 1.294 451 A HN 0.808 nan 8.150 nan 0.000 0.506 452 L N -0.813 120.221 121.223 -0.315 0.000 2.431 452 L HA 0.656 4.998 4.340 0.003 0.000 0.266 452 L C -1.098 175.554 176.870 -0.364 0.000 0.978 452 L CA -0.172 54.429 54.840 -0.399 0.000 0.822 452 L CB 2.457 44.104 42.059 -0.686 0.000 1.310 452 L HN 0.717 nan 8.230 nan 0.000 0.409 453 T N 3.515 117.906 114.554 -0.271 0.000 2.861 453 T HA 0.493 4.845 4.350 0.003 0.000 0.287 453 T C -0.841 173.762 174.700 -0.160 0.000 1.003 453 T CA -0.114 61.939 62.100 -0.078 0.000 0.977 453 T CB 1.069 69.973 68.868 0.060 0.000 0.996 453 T HN 0.263 nan 8.240 nan 0.000 0.448 454 F N 3.192 123.189 119.950 0.078 0.000 2.351 454 F HA 0.363 4.892 4.527 0.003 0.000 0.362 454 F C 1.253 177.126 175.800 0.122 0.000 1.131 454 F CA -0.946 57.127 58.000 0.123 0.000 1.187 454 F CB 0.210 39.340 39.000 0.217 0.000 1.434 454 F HN 0.194 nan 8.300 nan 0.000 0.553 455 R N 2.306 122.910 120.500 0.174 0.000 2.643 455 R HA 0.056 4.398 4.340 0.003 0.000 0.270 455 R C 1.397 177.873 176.300 0.294 0.000 1.061 455 R CA -0.278 55.942 56.100 0.201 0.000 1.107 455 R CB 0.629 31.028 30.300 0.165 0.000 0.999 455 R HN 0.569 nan 8.270 nan 0.000 0.460 456 E N 1.215 121.545 120.200 0.217 0.000 2.481 456 E HA -0.055 4.297 4.350 0.003 0.000 0.195 456 E C -0.464 176.264 176.600 0.213 0.000 1.047 456 E CA 0.494 57.009 56.400 0.192 0.000 0.867 456 E CB 0.093 29.861 29.700 0.115 0.000 0.858 456 E HN 0.352 nan 8.360 nan 0.000 0.513 457 N N 2.531 121.389 118.700 0.264 0.000 2.430 457 N HA 0.101 4.843 4.740 0.003 0.000 0.292 457 N C -0.327 175.387 175.510 0.340 0.000 1.051 457 N CA -0.596 52.600 53.050 0.243 0.000 0.917 457 N CB 1.212 39.827 38.487 0.213 0.000 1.164 457 N HN 0.198 nan 8.380 nan 0.000 0.484 458 N N 0.511 119.306 118.700 0.159 0.000 2.263 458 N HA -0.016 4.726 4.740 0.003 0.000 0.239 458 N C 0.904 176.404 175.510 -0.016 0.000 1.317 458 N CA -0.364 52.636 53.050 -0.083 0.000 0.909 458 N CB -0.011 38.423 38.487 -0.088 0.000 1.171 458 N HN 0.571 nan 8.380 nan 0.000 0.492 459 F N -3.106 116.630 119.950 -0.358 0.000 2.529 459 F HA 0.156 4.684 4.527 0.002 0.000 0.297 459 F C 0.729 176.555 175.800 0.044 0.000 1.114 459 F CA 0.334 58.323 58.000 -0.019 0.000 1.467 459 F CB -0.438 38.514 39.000 -0.080 0.000 1.096 459 F HN 0.209 nan 8.300 nan 0.000 0.586 460 F N 1.273 120.965 119.950 -0.429 0.000 2.727 460 F HA 0.430 4.958 4.527 0.002 0.000 0.302 460 F C 2.000 177.745 175.800 -0.091 0.000 1.097 460 F CA -0.271 57.529 58.000 -0.333 0.000 1.330 460 F CB 0.143 38.849 39.000 -0.491 0.000 1.084 460 F HN 0.226 nan 8.300 nan 0.000 0.578 461 G N 0.533 109.445 108.800 0.186 0.000 2.176 461 G HA2 -0.247 3.715 3.960 0.003 0.000 0.253 461 G HA3 -0.247 3.715 3.960 0.003 0.000 0.253 461 G C 0.172 175.141 174.900 0.115 0.000 0.979 461 G CA -0.085 45.108 45.100 0.156 0.000 0.641 461 G HN 0.084 nan 8.290 nan 0.000 0.530 462 I N 1.572 122.207 120.570 0.108 0.000 2.325 462 I HA 0.309 4.481 4.170 0.003 0.000 0.291 462 I C -2.024 174.145 176.117 0.087 0.000 1.019 462 I CA -3.310 58.035 61.300 0.075 0.000 1.302 462 I CB 0.638 38.670 38.000 0.053 0.000 1.401 462 I HN -0.174 nan 8.210 nan 0.000 0.485 463 P HA 0.025 nan 4.420 nan 0.000 0.262 463 P C -0.046 177.304 177.300 0.082 0.000 1.182 463 P CA 0.208 63.359 63.100 0.085 0.000 0.761 463 P CB 0.256 31.994 31.700 0.064 0.000 0.795 464 Q N 2.442 122.301 119.800 0.099 0.000 2.118 464 Q HA 0.629 4.970 4.340 0.003 0.000 0.219 464 Q C -0.164 175.894 176.000 0.096 0.000 0.794 464 Q CA -0.554 55.305 55.803 0.093 0.000 1.035 464 Q CB 0.784 29.580 28.738 0.097 0.000 1.177 464 Q HN 0.326 nan 8.270 nan 0.000 0.478 465 A N 0.333 123.209 122.820 0.092 0.000 2.536 465 A HA 0.611 4.932 4.320 0.003 0.000 0.293 465 A C -1.521 176.102 177.584 0.064 0.000 1.119 465 A CA -0.937 51.154 52.037 0.089 0.000 0.654 465 A CB 0.473 19.540 19.000 0.111 0.000 1.291 465 A HN 0.208 nan 8.150 nan 0.000 0.439 466 L N 0.713 121.965 121.223 0.048 0.000 2.466 466 L HA 0.358 4.700 4.340 0.003 0.000 0.257 466 L C -2.092 174.795 176.870 0.028 0.000 1.189 466 L CA -1.756 53.101 54.840 0.027 0.000 0.813 466 L CB 0.469 42.531 42.059 0.006 0.000 1.118 466 L HN 0.395 nan 8.230 nan 0.000 0.471 467 P HA 0.011 nan 4.420 nan 0.000 0.266 467 P C -0.594 176.711 177.300 0.008 0.000 1.195 467 P CA 0.241 63.354 63.100 0.021 0.000 0.768 467 P CB 0.470 32.180 31.700 0.016 0.000 0.838 468 Q N -0.693 119.113 119.800 0.010 0.000 2.406 468 Q HA -0.265 4.077 4.340 0.003 0.000 0.236 468 Q C 0.060 176.032 176.000 -0.046 0.000 0.799 468 Q CA 1.251 57.047 55.803 -0.012 0.000 1.286 468 Q CB -2.344 26.383 28.738 -0.019 0.000 1.615 468 Q HN 0.588 nan 8.270 nan 0.000 0.621 469 E N 1.348 121.529 120.200 -0.031 0.000 1.979 469 E HA 0.188 4.540 4.350 0.003 0.000 0.285 469 E C -0.312 176.221 176.600 -0.111 0.000 1.188 469 E CA -0.047 56.314 56.400 -0.065 0.000 1.214 469 E CB -0.105 29.604 29.700 0.014 0.000 1.210 469 E HN 0.423 nan 8.360 nan 0.000 0.477 470 N N 0.395 118.956 118.700 -0.231 0.000 2.831 470 N HA 0.449 5.191 4.740 0.003 0.000 0.276 470 N C -1.302 173.942 175.510 -0.442 0.000 1.416 470 N CA -0.678 52.262 53.050 -0.184 0.000 0.799 470 N CB 0.668 39.175 38.487 0.032 0.000 1.554 470 N HN -0.080 nan 8.380 nan 0.000 0.541 471 F N -1.616 118.464 119.950 0.217 0.000 2.565 471 F HA 0.387 4.915 4.527 0.002 0.000 0.313 471 F C -0.401 175.589 175.800 0.318 0.000 1.091 471 F CA -0.644 57.477 58.000 0.201 0.000 0.915 471 F CB 1.935 40.946 39.000 0.019 0.000 1.208 471 F HN 0.664 nan 8.300 nan 0.000 0.453 472 H N 1.946 121.217 119.070 0.335 0.000 2.469 472 H HA 0.492 5.050 4.556 0.002 0.000 0.342 472 H C -1.086 174.352 175.328 0.184 0.000 1.115 472 H CA -0.466 55.705 56.048 0.204 0.000 1.204 472 H CB 1.549 31.374 29.762 0.105 0.000 1.492 472 H HN 0.644 nan 8.280 nan 0.000 0.499 473 Q N 4.532 124.081 119.800 -0.418 0.000 2.327 473 Q HA 0.241 4.583 4.340 0.003 0.000 0.270 473 Q C -0.152 175.500 176.000 -0.581 0.000 1.022 473 Q CA -0.894 54.723 55.803 -0.311 0.000 0.773 473 Q CB 0.950 29.613 28.738 -0.124 0.000 1.251 473 Q HN 0.784 nan 8.270 nan 0.000 0.457 474 N N 2.545 121.066 118.700 -0.299 0.000 2.060 474 N HA -0.216 4.526 4.740 0.003 0.000 0.195 474 N C -0.248 175.177 175.510 -0.141 0.000 1.028 474 N CA 1.379 54.349 53.050 -0.133 0.000 0.861 474 N CB 0.131 38.625 38.487 0.012 0.000 1.029 474 N HN 0.693 nan 8.380 nan 0.000 0.428 475 E N 0.024 120.131 120.200 -0.156 0.000 2.081 475 E HA 0.014 4.365 4.350 0.003 0.000 0.281 475 E C -0.939 175.465 176.600 -0.327 0.000 0.986 475 E CA -0.462 55.871 56.400 -0.112 0.000 0.796 475 E CB 0.272 29.985 29.700 0.022 0.000 1.085 475 E HN 0.160 nan 8.360 nan 0.000 0.398 476 Y N 4.204 124.365 120.300 -0.232 0.000 2.597 476 Y HA 0.041 4.593 4.550 0.003 0.000 0.336 476 Y C -0.885 174.954 175.900 -0.101 0.000 1.216 476 Y CA 0.566 58.492 58.100 -0.291 0.000 1.463 476 Y CB 0.521 38.901 38.460 -0.134 0.000 1.303 476 Y HN 0.541 nan 8.280 nan 0.000 0.576 477 H N 4.437 122.942 119.070 -0.941 0.000 2.658 477 H HA 0.166 4.724 4.556 0.002 0.000 0.337 477 H C -0.791 174.108 175.328 -0.716 0.000 1.009 477 H CA -1.157 54.579 56.048 -0.520 0.000 1.231 477 H CB 0.936 30.514 29.762 -0.306 0.000 1.508 477 H HN 0.532 nan 8.280 nan 0.000 0.517 478 N N 4.069 122.701 118.700 -0.114 0.000 2.895 478 N HA 0.026 4.768 4.740 0.003 0.000 0.277 478 N C -0.666 175.017 175.510 0.288 0.000 1.185 478 N CA -0.285 52.891 53.050 0.209 0.000 1.106 478 N CB -0.080 38.692 38.487 0.475 0.000 1.422 478 N HN 0.641 nan 8.380 nan 0.000 0.521 479 R N -0.521 120.129 120.500 0.249 0.000 2.831 479 R HA 0.702 5.044 4.340 0.003 0.000 0.266 479 R C 0.060 176.483 176.300 0.206 0.000 1.051 479 R CA -1.128 55.068 56.100 0.159 0.000 0.943 479 R CB -0.000 30.348 30.300 0.081 0.000 1.228 479 R HN 0.094 nan 8.270 nan 0.000 0.467 480 G N -0.141 108.679 108.800 0.033 0.000 2.491 480 G HA2 0.114 4.075 3.960 0.003 0.000 0.238 480 G HA3 0.114 4.075 3.960 0.003 0.000 0.238 480 G C 0.443 175.386 174.900 0.072 0.000 1.277 480 G CA -0.274 44.793 45.100 -0.056 0.000 0.851 480 G HN 0.597 nan 8.290 nan 0.000 0.573 481 T N 0.717 115.180 114.554 -0.152 0.000 2.822 481 T HA -0.051 4.300 4.350 0.003 0.000 0.270 481 T C 0.754 175.528 174.700 0.124 0.000 1.064 481 T CA 2.074 64.057 62.100 -0.194 0.000 1.131 481 T CB -0.198 68.535 68.868 -0.225 0.000 0.858 481 T HN 0.853 nan 8.240 nan 0.000 0.483 482 E N -0.002 120.270 120.200 0.119 0.000 2.433 482 E HA 0.601 4.953 4.350 0.003 0.000 0.278 482 E C -1.593 175.039 176.600 0.053 0.000 0.976 482 E CA -1.082 55.416 56.400 0.163 0.000 0.793 482 E CB 0.838 30.604 29.700 0.109 0.000 1.311 482 E HN 0.029 nan 8.360 nan 0.000 0.460 483 N N 0.284 119.045 118.700 0.101 0.000 2.260 483 N HA 0.443 5.185 4.740 0.003 0.000 0.293 483 N C -2.017 173.560 175.510 0.111 0.000 1.058 483 N CA -0.804 52.259 53.050 0.021 0.000 0.824 483 N CB 1.531 40.019 38.487 0.002 0.000 1.551 483 N HN 0.643 nan 8.380 nan 0.000 0.475 484 D N 1.395 121.816 120.400 0.036 0.000 2.780 484 D HA 0.352 4.993 4.640 0.003 0.000 0.242 484 D C -1.357 174.968 176.300 0.043 0.000 1.135 484 D CA -0.617 53.420 54.000 0.061 0.000 0.859 484 D CB 2.125 42.938 40.800 0.022 0.000 1.530 484 D HN 0.244 nan 8.370 nan 0.000 0.493 485 L N 1.917 123.197 121.223 0.096 0.000 2.343 485 L HA 0.547 4.889 4.340 0.003 0.000 0.278 485 L C -1.542 175.331 176.870 0.005 0.000 0.996 485 L CA -0.523 54.365 54.840 0.079 0.000 0.831 485 L CB 1.211 43.374 42.059 0.174 0.000 1.232 485 L HN 0.471 nan 8.230 nan 0.000 0.413 486 I N 5.658 126.144 120.570 -0.140 0.000 2.433 486 I HA 0.576 4.748 4.170 0.003 0.000 0.292 486 I C -0.949 174.953 176.117 -0.357 0.000 1.001 486 I CA -0.911 60.173 61.300 -0.359 0.000 1.119 486 I CB 2.047 39.771 38.000 -0.460 0.000 1.289 486 I HN 0.256 nan 8.210 nan 0.000 0.438 487 V N 6.196 125.828 119.914 -0.470 0.000 2.525 487 V HA 0.380 4.501 4.120 0.003 0.000 0.299 487 V C -0.713 175.099 176.094 -0.469 0.000 1.034 487 V CA -0.592 61.516 62.300 -0.321 0.000 0.863 487 V CB 1.592 33.368 31.823 -0.078 0.000 0.999 487 V HN 0.369 nan 8.190 nan 0.000 0.423 488 F N 3.624 123.480 119.950 -0.157 0.000 2.404 488 F HA 0.593 5.121 4.527 0.003 0.000 0.358 488 F C 1.054 176.799 175.800 -0.092 0.000 1.120 488 F CA -0.112 57.803 58.000 -0.141 0.000 1.144 488 F CB 1.617 40.540 39.000 -0.127 0.000 1.133 488 F HN 0.639 nan 8.300 nan 0.000 0.495 489 T N -1.107 113.477 114.554 0.051 0.000 2.841 489 T HA 0.337 4.689 4.350 0.003 0.000 0.276 489 T C 0.926 175.649 174.700 0.039 0.000 1.003 489 T CA -0.762 61.356 62.100 0.030 0.000 0.995 489 T CB 1.380 70.246 68.868 -0.004 0.000 1.260 489 T HN 0.370 nan 8.240 nan 0.000 0.581 490 E N 0.354 120.569 120.200 0.024 0.000 2.204 490 E HA -0.076 4.276 4.350 0.003 0.000 0.194 490 E C 1.903 178.514 176.600 0.018 0.000 0.989 490 E CA 0.931 57.344 56.400 0.021 0.000 0.824 490 E CB -0.049 29.660 29.700 0.015 0.000 0.756 490 E HN 0.620 nan 8.360 nan 0.000 0.477 491 E N -0.347 119.861 120.200 0.013 0.000 2.216 491 E HA 0.025 4.377 4.350 0.003 0.000 0.192 491 E C 1.336 177.940 176.600 0.006 0.000 0.988 491 E CA 0.926 57.331 56.400 0.009 0.000 0.834 491 E CB 0.622 30.325 29.700 0.006 0.000 0.772 491 E HN 0.289 nan 8.360 nan 0.000 0.479 492 G N -0.245 108.557 108.800 0.003 0.000 1.969 492 G HA2 -0.028 3.933 3.960 0.003 0.000 0.055 492 G HA3 -0.028 3.933 3.960 0.003 0.000 0.055 492 G C -1.110 173.765 174.900 -0.042 0.000 0.734 492 G CA -0.118 44.984 45.100 0.004 0.000 1.109 492 G HN 0.021 nan 8.290 nan 0.000 0.348 493 V N 1.063 120.884 119.914 -0.156 0.000 2.733 493 V HA 0.736 4.857 4.120 0.003 0.000 0.306 493 V C -0.630 175.202 176.094 -0.436 0.000 1.084 493 V CA -0.559 61.495 62.300 -0.410 0.000 0.905 493 V CB 1.678 33.146 31.823 -0.592 0.000 1.010 493 V HN 0.806 nan 8.190 nan 0.000 0.424 494 S N 2.684 118.045 115.700 -0.564 0.000 2.502 494 S HA 0.933 5.405 4.470 0.003 0.000 0.304 494 S C -0.158 173.781 174.600 -1.102 0.000 1.097 494 S CA -0.357 57.372 58.200 -0.785 0.000 1.045 494 S CB 1.869 64.716 63.200 -0.588 0.000 1.019 494 S HN 1.253 nan 8.310 nan 0.000 0.481 495 A N 2.739 124.733 122.820 -1.376 0.000 2.556 495 A HA 0.920 5.241 4.320 0.003 0.000 0.294 495 A C -1.802 175.045 177.584 -1.228 0.000 1.091 495 A CA -0.771 50.640 52.037 -1.043 0.000 0.704 495 A CB 1.386 19.986 19.000 -0.668 0.000 1.300 495 A HN 0.765 nan 8.150 nan 0.000 0.406 496 W N 0.184 121.273 121.300 -0.351 0.000 3.075 496 W HA 0.526 5.188 4.660 0.003 0.000 0.334 496 W C -1.303 175.078 176.519 -0.230 0.000 1.243 496 W CA -0.136 56.999 57.345 -0.350 0.000 1.170 496 W CB 2.164 31.370 29.460 -0.424 0.000 1.452 496 W HN 1.048 nan 8.180 nan 0.000 0.572 497 D N -0.969 119.470 120.400 0.065 0.000 2.713 497 D HA 0.512 5.153 4.640 0.003 0.000 0.306 497 D C -2.027 174.331 176.300 0.097 0.000 1.299 497 D CA -0.517 53.534 54.000 0.085 0.000 0.823 497 D CB 1.899 42.722 40.800 0.038 0.000 1.353 497 D HN 0.157 nan 8.370 nan 0.000 0.447 498 V N -0.395 119.608 119.914 0.147 0.000 2.777 498 V HA 0.588 4.710 4.120 0.003 0.000 0.306 498 V C -1.748 174.444 176.094 0.163 0.000 1.112 498 V CA -0.461 61.937 62.300 0.164 0.000 0.917 498 V CB 1.788 33.770 31.823 0.264 0.000 1.018 498 V HN 0.609 nan 8.190 nan 0.000 0.426 499 V N 7.021 126.990 119.914 0.091 0.000 2.327 499 V HA 0.766 4.888 4.120 0.003 0.000 0.272 499 V C 0.451 176.550 176.094 0.008 0.000 1.019 499 V CA 0.085 62.422 62.300 0.061 0.000 0.814 499 V CB 1.139 32.967 31.823 0.009 0.000 1.040 499 V HN 1.140 nan 8.190 nan 0.000 0.440 500 A N 5.838 128.657 122.820 -0.002 0.000 2.303 500 A HA 0.838 5.160 4.320 0.003 0.000 0.317 500 A C -1.727 175.752 177.584 -0.176 0.000 1.149 500 A CA -1.593 50.339 52.037 -0.176 0.000 0.822 500 A CB 1.168 19.992 19.000 -0.294 0.000 1.131 500 A HN 0.549 nan 8.150 nan 0.000 0.493 501 P HA 0.107 nan 4.420 nan 0.000 0.217 501 P C 0.711 177.810 177.300 -0.335 0.000 1.151 501 P CA 1.683 64.440 63.100 -0.571 0.000 0.828 501 P CB 0.246 31.541 31.700 -0.675 0.000 0.788 502 G N -1.989 106.688 108.800 -0.205 0.000 2.495 502 G HA2 0.202 4.163 3.960 0.003 0.000 0.294 502 G HA3 0.202 4.163 3.960 0.003 0.000 0.294 502 G C -0.411 174.452 174.900 -0.061 0.000 1.397 502 G CA -0.229 44.807 45.100 -0.106 0.000 0.790 502 G HN -0.180 nan 8.290 nan 0.000 0.486 503 Q N -0.141 119.632 119.800 -0.044 0.000 2.224 503 Q HA 0.128 4.470 4.340 0.003 0.000 0.203 503 Q C 1.240 177.262 176.000 0.037 0.000 0.970 503 Q CA 1.850 57.605 55.803 -0.080 0.000 0.865 503 Q CB -0.037 28.597 28.738 -0.173 0.000 0.922 503 Q HN 0.669 nan 8.270 nan 0.000 0.445 504 S N -2.015 113.759 115.700 0.123 0.000 2.536 504 S HA 0.679 5.151 4.470 0.003 0.000 0.298 504 S C 0.238 174.959 174.600 0.202 0.000 1.083 504 S CA -0.411 57.916 58.200 0.212 0.000 0.995 504 S CB 1.575 64.950 63.200 0.291 0.000 1.058 504 S HN 0.279 nan 8.310 nan 0.000 0.488 505 G N 2.490 111.442 108.800 0.253 0.000 3.774 505 G HA2 0.252 4.213 3.960 0.003 0.000 0.287 505 G HA3 0.252 4.213 3.960 0.003 0.000 0.287 505 G C -0.315 174.865 174.900 0.466 0.000 1.030 505 G CA -0.384 44.877 45.100 0.268 0.000 0.824 505 G HN 0.603 nan 8.290 nan 0.000 0.518 506 F N 1.473 121.611 119.950 0.312 0.000 2.443 506 F HA 0.631 5.161 4.527 0.005 0.000 0.353 506 F C -0.168 175.714 175.800 0.137 0.000 1.101 506 F CA -0.684 57.437 58.000 0.201 0.000 1.226 506 F CB 0.633 39.717 39.000 0.138 0.000 1.140 506 F HN -0.121 nan 8.300 nan 0.000 0.557 507 I N 5.877 125.881 120.570 -0.944 0.000 2.534 507 I HA 0.146 4.318 4.170 0.003 0.000 0.286 507 I C -0.414 175.061 176.117 -1.070 0.000 1.094 507 I CA -0.746 60.109 61.300 -0.743 0.000 1.055 507 I CB 1.908 39.659 38.000 -0.414 0.000 1.225 507 I HN 0.681 nan 8.210 nan 0.000 0.435 508 S N 5.527 120.773 115.700 -0.756 0.000 2.580 508 S HA 0.242 4.713 4.470 0.003 0.000 0.266 508 S C -1.843 172.628 174.600 -0.215 0.000 1.354 508 S CA -0.698 57.290 58.200 -0.354 0.000 1.008 508 S CB 0.633 63.861 63.200 0.047 0.000 0.898 508 S HN 0.411 nan 8.310 nan 0.000 0.555 509 P HA -0.097 nan 4.420 nan 0.000 0.218 509 P C 1.132 178.399 177.300 -0.054 0.000 1.146 509 P CA 1.171 64.237 63.100 -0.057 0.000 0.813 509 P CB -0.029 31.669 31.700 -0.005 0.000 0.778 510 Q N -1.744 118.031 119.800 -0.042 0.000 2.297 510 Q HA 0.153 4.494 4.340 0.003 0.000 0.204 510 Q C 1.532 177.497 176.000 -0.059 0.000 0.962 510 Q CA 1.332 57.115 55.803 -0.034 0.000 0.879 510 Q CB -0.662 28.069 28.738 -0.011 0.000 0.947 510 Q HN 0.260 nan 8.270 nan 0.000 0.462 511 G N 0.129 108.870 108.800 -0.099 0.000 2.148 511 G HA2 -0.266 3.695 3.960 0.003 0.000 0.203 511 G HA3 -0.266 3.695 3.960 0.003 0.000 0.203 511 G C -0.092 174.727 174.900 -0.136 0.000 0.993 511 G CA -0.086 44.941 45.100 -0.122 0.000 0.661 511 G HN 0.204 nan 8.290 nan 0.000 0.518 512 K N 1.290 121.619 120.400 -0.118 0.000 2.262 512 K HA 0.534 4.856 4.320 0.003 0.000 0.282 512 K C -2.425 174.097 176.600 -0.130 0.000 1.066 512 K CA -1.938 54.295 56.287 -0.090 0.000 0.901 512 K CB 1.363 33.853 32.500 -0.017 0.000 1.089 512 K HN 0.072 nan 8.250 nan 0.000 0.476 513 P HA 0.028 nan 4.420 nan 0.000 0.276 513 P C -0.770 176.541 177.300 0.017 0.000 1.252 513 P CA -0.558 62.400 63.100 -0.236 0.000 0.802 513 P CB 1.216 32.603 31.700 -0.521 0.000 1.035 514 S N 1.664 117.477 115.700 0.188 0.000 2.584 514 S HA 0.128 4.599 4.470 0.003 0.000 0.270 514 S C -1.526 173.130 174.600 0.095 0.000 1.346 514 S CA -0.786 57.547 58.200 0.221 0.000 1.018 514 S CB -0.535 62.872 63.200 0.344 0.000 0.899 514 S HN 0.239 nan 8.310 nan 0.000 0.542 515 P HA 0.017 nan 4.420 nan 0.000 0.226 515 P C 0.190 177.363 177.300 -0.211 0.000 1.153 515 P CA 0.972 63.941 63.100 -0.218 0.000 0.777 515 P CB 0.040 31.470 31.700 -0.450 0.000 0.794 516 H N -3.563 115.588 119.070 0.135 0.000 2.505 516 H HA 0.173 4.730 4.556 0.002 0.000 0.286 516 H C 1.071 176.474 175.328 0.126 0.000 1.072 516 H CA -0.388 55.718 56.048 0.098 0.000 1.141 516 H CB -0.522 29.279 29.762 0.065 0.000 1.550 516 H HN 0.223 nan 8.280 nan 0.000 0.547 517 Y N 2.549 122.921 120.300 0.120 0.000 2.293 517 Y HA -0.176 4.375 4.550 0.002 0.000 0.291 517 Y C 1.264 177.194 175.900 0.050 0.000 1.137 517 Y CA 1.647 59.818 58.100 0.117 0.000 1.202 517 Y CB 0.680 39.216 38.460 0.127 0.000 0.990 517 Y HN 0.276 nan 8.280 nan 0.000 0.537 518 Q N -1.060 118.786 119.800 0.076 0.000 2.052 518 Q HA 0.123 4.465 4.340 0.003 0.000 0.250 518 Q C -0.314 175.597 176.000 -0.148 0.000 0.851 518 Q CA 0.239 55.926 55.803 -0.194 0.000 1.029 518 Q CB -0.420 28.148 28.738 -0.284 0.000 1.274 518 Q HN 0.353 nan 8.270 nan 0.000 0.411 519 D N 0.429 120.812 120.400 -0.028 0.000 2.352 519 D HA -0.101 4.541 4.640 0.003 0.000 0.232 519 D C 0.965 177.244 176.300 -0.035 0.000 1.055 519 D CA 0.278 54.278 54.000 0.000 0.000 0.891 519 D CB 0.343 41.203 40.800 0.099 0.000 0.897 519 D HN 0.466 nan 8.370 nan 0.000 0.529 520 Q N -0.479 119.261 119.800 -0.098 0.000 2.164 520 Q HA 0.271 4.613 4.340 0.003 0.000 0.226 520 Q C 1.892 177.828 176.000 -0.106 0.000 0.813 520 Q CA -0.282 55.477 55.803 -0.073 0.000 0.978 520 Q CB 0.902 29.609 28.738 -0.051 0.000 1.149 520 Q HN 0.220 nan 8.270 nan 0.000 0.489 521 L N 0.064 121.140 121.223 -0.246 0.000 1.970 521 L HA -0.220 4.122 4.340 0.003 0.000 0.212 521 L C 2.437 179.248 176.870 -0.098 0.000 1.071 521 L CA 1.687 56.335 54.840 -0.320 0.000 0.751 521 L CB -0.488 41.259 42.059 -0.520 0.000 0.889 521 L HN 0.253 nan 8.230 nan 0.000 0.432 522 S N -0.242 115.410 115.700 -0.081 0.000 2.382 522 S HA -0.206 4.265 4.470 0.003 0.000 0.228 522 S C 1.945 176.554 174.600 0.015 0.000 1.027 522 S CA 1.192 59.380 58.200 -0.020 0.000 0.991 522 S CB -0.216 62.973 63.200 -0.018 0.000 0.823 522 S HN 0.248 nan 8.310 nan 0.000 0.469 523 L N 0.478 121.715 121.223 0.023 0.000 2.042 523 L HA -0.018 4.324 4.340 0.003 0.000 0.210 523 L C 2.069 178.987 176.870 0.079 0.000 1.076 523 L CA 1.950 56.818 54.840 0.047 0.000 0.749 523 L CB -0.960 41.127 42.059 0.046 0.000 0.893 523 L HN 0.513 nan 8.230 nan 0.000 0.432 524 Y N -0.169 120.115 120.300 -0.026 0.000 2.109 524 Y HA -0.296 4.255 4.550 0.003 0.000 0.285 524 Y C 2.818 178.641 175.900 -0.129 0.000 1.131 524 Y CA 2.258 60.348 58.100 -0.016 0.000 1.121 524 Y CB -0.367 38.125 38.460 0.053 0.000 0.987 524 Y HN 0.314 nan 8.280 nan 0.000 0.495 525 Q N -0.074 119.745 119.800 0.032 0.000 2.135 525 Q HA -0.264 4.077 4.340 0.003 0.000 0.204 525 Q C 1.570 177.473 176.000 -0.161 0.000 0.981 525 Q CA 2.056 57.816 55.803 -0.071 0.000 0.856 525 Q CB -0.111 28.635 28.738 0.014 0.000 0.902 525 Q HN 0.650 nan 8.270 nan 0.000 0.425 526 Q N -1.116 118.636 119.800 -0.079 0.000 2.320 526 Q HA 0.038 4.380 4.340 0.003 0.000 0.201 526 Q C -0.607 175.479 176.000 0.142 0.000 0.910 526 Q CA -0.209 55.612 55.803 0.031 0.000 0.946 526 Q CB 0.417 29.189 28.738 0.058 0.000 1.062 526 Q HN 0.286 nan 8.270 nan 0.000 0.503 527 F N -0.459 119.510 119.950 0.032 0.000 3.080 527 F HA -0.231 4.298 4.527 0.003 0.000 0.292 527 F C 0.889 176.867 175.800 0.295 0.000 0.891 527 F CA 0.677 58.748 58.000 0.119 0.000 1.086 527 F CB -1.717 37.304 39.000 0.035 0.000 1.095 527 F HN 0.159 nan 8.300 nan 0.000 0.633 528 G N 0.170 109.110 108.800 0.233 0.000 2.568 528 G HA2 0.774 4.736 3.960 0.003 0.000 0.293 528 G HA3 0.774 4.736 3.960 0.003 0.000 0.293 528 G C -0.354 174.545 174.900 -0.000 0.000 1.347 528 G CA -0.242 44.888 45.100 0.050 0.000 1.039 528 G HN 0.329 nan 8.290 nan 0.000 0.523 529 K N -1.327 118.967 120.400 -0.176 0.000 2.607 529 K HA 0.498 4.820 4.320 0.003 0.000 0.287 529 K C -1.427 175.123 176.600 -0.084 0.000 0.996 529 K CA -1.045 55.143 56.287 -0.165 0.000 0.876 529 K CB 1.869 34.059 32.500 -0.516 0.000 1.496 529 K HN 0.711 nan 8.250 nan 0.000 0.415 530 K N -0.165 120.234 120.400 -0.002 0.000 2.340 530 K HA 0.607 4.929 4.320 0.003 0.000 0.244 530 K C -2.974 173.580 176.600 -0.075 0.000 0.973 530 K CA -2.188 54.087 56.287 -0.021 0.000 0.828 530 K CB 1.772 34.233 32.500 -0.065 0.000 1.226 530 K HN 0.184 nan 8.250 nan 0.000 0.437 531 P HA 0.111 nan 4.420 nan 0.000 0.274 531 P C -1.006 175.682 177.300 -1.019 0.000 1.231 531 P CA -0.377 62.148 63.100 -0.959 0.000 0.790 531 P CB 0.510 31.311 31.700 -1.497 0.000 0.951 532 L N 2.944 123.534 121.223 -1.055 0.000 2.276 532 L HA 0.375 4.716 4.340 0.003 0.000 0.286 532 L C -0.576 175.885 176.870 -0.681 0.000 1.024 532 L CA -0.421 54.028 54.840 -0.652 0.000 0.826 532 L CB 0.475 42.306 42.059 -0.381 0.000 1.211 532 L HN 0.386 nan 8.230 nan 0.000 0.422 533 W N 4.480 125.677 121.300 -0.171 0.000 2.390 533 W HA 0.299 4.960 4.660 0.002 0.000 0.312 533 W C 0.563 177.046 176.519 -0.060 0.000 1.123 533 W CA -0.671 56.596 57.345 -0.130 0.000 1.202 533 W CB 1.427 30.816 29.460 -0.119 0.000 1.251 533 W HN 0.389 nan 8.180 nan 0.000 0.511 534 L N 2.638 123.977 121.223 0.193 0.000 2.356 534 L HA 0.292 4.634 4.340 0.003 0.000 0.193 534 L C 0.521 177.451 176.870 0.099 0.000 1.087 534 L CA 1.220 56.149 54.840 0.148 0.000 0.817 534 L CB -0.542 41.572 42.059 0.092 0.000 1.035 534 L HN 0.245 nan 8.230 nan 0.000 0.482 535 N N -0.131 118.611 118.700 0.071 0.000 2.524 535 N HA 0.095 4.837 4.740 0.003 0.000 0.283 535 N C 1.234 176.699 175.510 -0.076 0.000 1.142 535 N CA 0.688 53.727 53.050 -0.018 0.000 0.984 535 N CB 1.508 40.006 38.487 0.020 0.000 1.155 535 N HN 0.323 nan 8.380 nan 0.000 0.467 536 S N 0.969 116.593 115.700 -0.126 0.000 2.374 536 S HA -0.264 4.207 4.470 0.003 0.000 0.227 536 S C 1.499 176.034 174.600 -0.109 0.000 1.037 536 S CA 1.500 59.624 58.200 -0.126 0.000 1.024 536 S CB -0.299 62.832 63.200 -0.115 0.000 0.861 536 S HN 0.750 nan 8.310 nan 0.000 0.456 537 E N 1.968 122.114 120.200 -0.089 0.000 2.077 537 E HA -0.231 4.121 4.350 0.003 0.000 0.193 537 E C 1.584 178.093 176.600 -0.151 0.000 0.989 537 E CA 1.596 57.937 56.400 -0.099 0.000 0.800 537 E CB -0.239 29.421 29.700 -0.067 0.000 0.746 537 E HN 0.866 nan 8.360 nan 0.000 0.452 538 D N -0.665 119.642 120.400 -0.155 0.000 2.347 538 D HA -0.090 4.552 4.640 0.003 0.000 0.213 538 D C 1.702 177.634 176.300 -0.612 0.000 0.985 538 D CA 0.478 54.293 54.000 -0.308 0.000 0.879 538 D CB 0.071 40.767 40.800 -0.173 0.000 0.919 538 D HN 0.191 nan 8.370 nan 0.000 0.526 539 V N 0.572 120.271 119.914 -0.359 0.000 2.725 539 V HA 0.084 4.205 4.120 0.003 0.000 0.247 539 V C 2.763 178.721 176.094 -0.227 0.000 1.058 539 V CA 0.857 62.942 62.300 -0.358 0.000 1.080 539 V CB -0.677 31.098 31.823 -0.080 0.000 0.713 539 V HN 0.320 nan 8.190 nan 0.000 0.465 540 A N 1.284 123.985 122.820 -0.198 0.000 1.896 540 A HA -0.229 4.093 4.320 0.003 0.000 0.220 540 A C 0.647 178.112 177.584 -0.197 0.000 1.206 540 A CA 2.637 54.578 52.037 -0.161 0.000 0.647 540 A CB -2.102 16.811 19.000 -0.146 0.000 0.828 540 A HN 0.549 nan 8.150 nan 0.000 0.455 541 P HA -0.121 nan 4.420 nan 0.000 0.221 541 P C 0.373 177.343 177.300 -0.550 0.000 1.145 541 P CA 1.078 63.889 63.100 -0.482 0.000 0.795 541 P CB -0.144 31.133 31.700 -0.706 0.000 0.775 542 Y N -1.916 118.255 120.300 -0.214 0.000 2.457 542 Y HA 0.139 4.690 4.550 0.002 0.000 0.263 542 Y C 0.938 176.801 175.900 -0.061 0.000 1.164 542 Y CA -0.696 57.333 58.100 -0.119 0.000 1.274 542 Y CB -0.172 38.218 38.460 -0.117 0.000 1.097 542 Y HN -0.161 nan 8.280 nan 0.000 0.523 543 I N 2.436 123.025 120.570 0.033 0.000 2.517 543 I HA -0.053 4.118 4.170 0.003 0.000 0.285 543 I C 1.355 177.490 176.117 0.029 0.000 1.106 543 I CA 0.070 61.388 61.300 0.029 0.000 1.402 543 I CB 0.393 38.390 38.000 -0.005 0.000 1.399 543 I HN 0.478 nan 8.210 nan 0.000 0.535 544 E N 4.212 124.445 120.200 0.055 0.000 2.431 544 E HA 0.091 4.442 4.350 0.003 0.000 0.200 544 E C 0.118 176.746 176.600 0.047 0.000 0.995 544 E CA -0.128 56.307 56.400 0.058 0.000 0.915 544 E CB 0.496 30.256 29.700 0.101 0.000 0.930 544 E HN 0.537 nan 8.360 nan 0.000 0.496 545 S N -0.348 115.376 115.700 0.041 0.000 2.537 545 S HA 0.474 4.946 4.470 0.003 0.000 0.271 545 S C -0.828 173.785 174.600 0.023 0.000 1.148 545 S CA -0.802 57.416 58.200 0.031 0.000 0.868 545 S CB 1.963 65.187 63.200 0.040 0.000 1.115 545 S HN -0.001 nan 8.310 nan 0.000 0.461 546 T N 1.799 116.362 114.554 0.015 0.000 2.893 546 T HA 0.692 5.044 4.350 0.003 0.000 0.293 546 T C -1.365 173.342 174.700 0.011 0.000 1.027 546 T CA -0.570 61.537 62.100 0.012 0.000 0.988 546 T CB 1.769 70.640 68.868 0.006 0.000 1.043 546 T HN 0.785 nan 8.240 nan 0.000 0.461 547 E N 1.314 121.522 120.200 0.012 0.000 2.275 547 E HA 0.522 4.873 4.350 0.003 0.000 0.270 547 E C -1.356 175.250 176.600 0.011 0.000 0.882 547 E CA -0.599 55.806 56.400 0.009 0.000 0.758 547 E CB 1.454 31.159 29.700 0.009 0.000 1.195 547 E HN 0.507 nan 8.360 nan 0.000 0.419 548 T N 3.896 118.454 114.554 0.008 0.000 2.797 548 T HA 0.476 4.827 4.350 0.003 0.000 0.279 548 T C -1.036 173.669 174.700 0.008 0.000 0.991 548 T CA -0.550 61.556 62.100 0.009 0.000 0.979 548 T CB 0.619 69.492 68.868 0.008 0.000 0.943 548 T HN 0.225 nan 8.240 nan 0.000 0.444 549 L N 3.651 124.880 121.223 0.010 0.000 2.341 549 L HA 0.593 4.934 4.340 0.003 0.000 0.278 549 L C -0.495 176.380 176.870 0.009 0.000 1.005 549 L CA -0.427 54.418 54.840 0.008 0.000 0.818 549 L CB 1.503 43.567 42.059 0.008 0.000 1.259 549 L HN 0.639 nan 8.230 nan 0.000 0.418 550 I N 5.215 125.790 120.570 0.007 0.000 2.354 550 I HA 0.421 4.592 4.170 0.003 0.000 0.286 550 I C -0.223 175.897 176.117 0.006 0.000 1.007 550 I CA -0.514 60.790 61.300 0.007 0.000 1.167 550 I CB 1.057 39.061 38.000 0.006 0.000 1.320 550 I HN 0.493 nan 8.210 nan 0.000 0.458 551 I N 2.742 123.316 120.570 0.007 0.000 2.377 551 I HA 0.498 4.670 4.170 0.003 0.000 0.293 551 I C -0.154 175.967 176.117 0.006 0.000 0.987 551 I CA -0.673 60.630 61.300 0.006 0.000 1.185 551 I CB 1.476 39.480 38.000 0.005 0.000 1.341 551 I HN 0.364 nan 8.210 nan 0.000 0.455 552 E N 7.199 127.401 120.200 0.004 0.000 2.299 552 E HA 0.336 4.688 4.350 0.003 0.000 0.272 552 E C -0.524 176.078 176.600 0.004 0.000 1.043 552 E CA 0.029 56.431 56.400 0.004 0.000 0.895 552 E CB 1.039 30.741 29.700 0.003 0.000 1.011 552 E HN 0.653 nan 8.360 nan 0.000 0.432 553 R N 0.000 120.503 120.500 0.005 0.000 2.786 553 R HA 0.000 4.342 4.340 0.003 0.000 0.208 553 R CA 0.000 56.103 56.100 0.005 0.000 0.921 553 R CB 0.000 30.304 30.300 0.007 0.000 0.687 553 R HN 0.000 nan 8.270 nan 0.000 0.535