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 3ld6_1_B DATA FIRST_RESID 58 DATA SEQUENCE VKSPPYIFSP IPFLGHAIAF GKSPIEFLEN AYEKYGPVFS FTMVGKTFTY DATA SEQUENCE LLGSDAAALL FNSKNEDLNA EDVYSRLTTP VFGKGVAYDV PNPVFLEQKK DATA SEQUENCE MLKSGLNIAH FKQHVSIIEK ETKEYFESWG ESGEKNVFEA LSELIILTAS DATA SEQUENCE HCLHGKEIRS QLNEKVAQLY ADLDGGFSHA AWLLPGWLPL PSFRRRDRAH DATA SEQUENCE REIKDIFYKA IQKRRQSQEK IDDILQTLLD ATYKDGRPLT DDEVAGMLIG DATA SEQUENCE LLLAGQHTSS TTSAWMGFFL ARDKTLQKKC YLEQKTVCGE NLPPLTYDQL DATA SEQUENCE KDLNLLDRCI KETLRLRPPI MIMMRMARTP QTVAGYTIPP GHQVCVSPTV DATA SEQUENCE NQRLKDSWVE RLDFNPDRYL QDNPASGEKF AYVPFGAGRH RCIGENFAYV DATA SEQUENCE QIKTIWSTML RLYEFDLIDG YFPTVNYTTM IHTPENPVIR YKRR 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 58 V HA 0.000 nan 4.120 nan 0.000 0.244 58 V C 0.000 176.117 176.094 0.039 0.000 1.182 58 V CA 0.000 62.310 62.300 0.018 0.000 1.235 58 V CB 0.000 31.831 31.823 0.014 0.000 1.184 59 K N 2.051 122.490 120.400 0.066 0.000 2.542 59 K HA 0.744 5.063 4.320 -0.001 0.000 0.259 59 K C -0.778 175.941 176.600 0.198 0.000 0.932 59 K CA -0.388 55.975 56.287 0.126 0.000 0.820 59 K CB 2.414 34.991 32.500 0.130 0.000 1.345 59 K HN 0.661 nan 8.250 nan 0.000 0.432 60 S N 3.522 119.332 115.700 0.182 0.000 2.586 60 S HA 0.420 4.889 4.470 -0.001 0.000 0.274 60 S C -2.478 172.198 174.600 0.127 0.000 1.281 60 S CA -1.173 57.109 58.200 0.137 0.000 1.035 60 S CB 1.037 64.283 63.200 0.076 0.000 0.962 60 S HN 0.472 nan 8.310 nan 0.000 0.512 61 P HA 0.131 nan 4.420 nan 0.000 0.266 61 P C -2.678 174.493 177.300 -0.214 0.000 1.193 61 P CA -1.129 61.732 63.100 -0.398 0.000 0.770 61 P CB -0.907 30.681 31.700 -0.187 0.000 0.836 62 P HA 0.002 nan 4.420 nan 0.000 0.262 62 P C -0.726 176.564 177.300 -0.016 0.000 1.182 62 P CA 0.561 63.640 63.100 -0.034 0.000 0.761 62 P CB -0.039 31.688 31.700 0.046 0.000 0.795 63 Y N 3.902 124.115 120.300 -0.145 0.000 2.323 63 Y HA 0.453 5.003 4.550 -0.001 0.000 0.331 63 Y C -0.020 175.649 175.900 -0.385 0.000 1.092 63 Y CA -0.596 57.342 58.100 -0.270 0.000 1.150 63 Y CB 0.721 38.938 38.460 -0.405 0.000 1.200 63 Y HN 0.212 nan 8.280 nan 0.000 0.472 64 I N 8.019 128.013 120.570 -0.961 0.000 2.307 64 I HA 0.160 4.329 4.170 -0.001 0.000 0.287 64 I C -0.729 175.127 176.117 -0.436 0.000 1.054 64 I CA -0.351 60.548 61.300 -0.669 0.000 1.218 64 I CB -0.074 37.496 38.000 -0.717 0.000 1.398 64 I HN 0.471 nan 8.210 nan 0.000 0.475 65 F N 3.683 123.655 119.950 0.038 0.000 2.490 65 F HA 0.175 4.701 4.527 -0.001 0.000 0.336 65 F C 1.101 177.023 175.800 0.204 0.000 1.178 65 F CA 0.576 58.732 58.000 0.259 0.000 1.301 65 F CB 0.743 39.900 39.000 0.262 0.000 1.175 65 F HN 0.355 nan 8.300 nan 0.000 0.593 66 S N 1.540 117.435 115.700 0.326 0.000 2.536 66 S HA 0.505 4.975 4.470 -0.001 0.000 0.287 66 S C -1.654 172.982 174.600 0.060 0.000 1.101 66 S CA -1.300 56.893 58.200 -0.012 0.000 0.950 66 S CB 1.407 64.424 63.200 -0.305 0.000 1.056 66 S HN 0.368 nan 8.310 nan 0.000 0.481 67 P HA 0.147 nan 4.420 nan 0.000 0.213 67 P C -0.311 177.007 177.300 0.029 0.000 1.170 67 P CA 0.872 63.989 63.100 0.028 0.000 0.893 67 P CB -0.087 31.621 31.700 0.013 0.000 0.784 68 I N 0.922 121.492 120.570 -0.000 0.000 2.421 68 I HA 0.053 4.223 4.170 -0.001 0.000 0.291 68 I C -1.257 174.895 176.117 0.058 0.000 1.089 68 I CA -1.584 59.733 61.300 0.028 0.000 1.354 68 I CB 0.354 38.365 38.000 0.018 0.000 1.413 68 I HN -0.062 nan 8.210 nan 0.000 0.513 69 P HA -0.274 nan 4.420 nan 0.000 0.214 69 P C 1.351 178.758 177.300 0.177 0.000 1.164 69 P CA 1.833 65.011 63.100 0.130 0.000 0.942 69 P CB 0.105 31.883 31.700 0.130 0.000 0.791 70 F N -1.547 118.430 119.950 0.046 0.000 2.343 70 F HA 0.130 4.656 4.527 -0.001 0.000 0.286 70 F C 2.205 178.043 175.800 0.063 0.000 1.057 70 F CA 0.498 58.529 58.000 0.052 0.000 1.365 70 F CB -0.724 38.301 39.000 0.042 0.000 1.114 70 F HN -0.308 nan 8.300 nan 0.000 0.545 71 L N 0.390 121.683 121.223 0.117 0.000 2.013 71 L HA -0.101 4.239 4.340 -0.001 0.000 0.212 71 L C 1.961 178.804 176.870 -0.045 0.000 1.073 71 L CA 1.523 56.377 54.840 0.023 0.000 0.753 71 L CB -1.518 40.593 42.059 0.086 0.000 0.890 71 L HN 0.557 nan 8.230 nan 0.000 0.432 72 G N -0.746 108.036 108.800 -0.031 0.000 2.536 72 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.280 72 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.280 72 G C 0.424 175.252 174.900 -0.120 0.000 1.152 72 G CA 0.333 45.398 45.100 -0.057 0.000 0.970 72 G HN 0.446 nan 8.290 nan 0.000 0.549 73 H N 1.780 120.879 119.070 0.048 0.000 2.524 73 H HA 0.372 4.927 4.556 -0.001 0.000 0.280 73 H C 2.626 177.899 175.328 -0.091 0.000 1.018 73 H CA 1.144 57.178 56.048 -0.023 0.000 1.165 73 H CB -0.199 29.484 29.762 -0.132 0.000 1.411 73 H HN 0.707 nan 8.280 nan 0.000 0.569 74 A N 1.254 124.100 122.820 0.043 0.000 1.958 74 A HA -0.190 4.129 4.320 -0.001 0.000 0.221 74 A C 2.397 180.004 177.584 0.038 0.000 1.178 74 A CA 1.368 53.425 52.037 0.033 0.000 0.642 74 A CB -0.552 18.471 19.000 0.038 0.000 0.816 74 A HN 0.314 nan 8.150 nan 0.000 0.453 75 I N -1.063 119.526 120.570 0.031 0.000 2.333 75 I HA -0.134 4.035 4.170 -0.001 0.000 0.246 75 I C 2.898 179.024 176.117 0.014 0.000 1.106 75 I CA 0.850 62.165 61.300 0.025 0.000 1.411 75 I CB -0.243 37.774 38.000 0.028 0.000 1.082 75 I HN 0.334 nan 8.210 nan 0.000 0.420 76 A N 0.412 123.256 122.820 0.041 0.000 1.929 76 A HA -0.212 4.107 4.320 -0.001 0.000 0.216 76 A C 2.199 179.758 177.584 -0.042 0.000 1.176 76 A CA 1.256 53.338 52.037 0.075 0.000 0.628 76 A CB -0.796 18.354 19.000 0.249 0.000 0.816 76 A HN 0.456 nan 8.150 nan 0.000 0.444 77 F N 0.822 120.508 119.950 -0.440 0.000 2.187 77 F HA 0.119 4.646 4.527 -0.001 0.000 0.295 77 F C 2.269 177.830 175.800 -0.399 0.000 1.091 77 F CA 1.389 58.965 58.000 -0.706 0.000 1.308 77 F CB -0.487 37.888 39.000 -1.041 0.000 1.030 77 F HN 0.207 nan 8.300 nan 0.000 0.487 78 G N 0.735 109.479 108.800 -0.093 0.000 2.422 78 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.218 78 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.218 78 G C 1.798 176.583 174.900 -0.191 0.000 1.146 78 G CA 0.549 45.583 45.100 -0.109 0.000 0.769 78 G HN 0.158 nan 8.290 nan 0.000 0.547 79 K N 0.640 120.948 120.400 -0.154 0.000 2.002 79 K HA -0.048 4.271 4.320 -0.001 0.000 0.209 79 K C 0.854 177.337 176.600 -0.196 0.000 1.048 79 K CA 1.420 57.647 56.287 -0.101 0.000 0.930 79 K CB -0.246 32.227 32.500 -0.046 0.000 0.714 79 K HN 0.457 nan 8.250 nan 0.000 0.438 80 S N -0.370 115.115 115.700 -0.358 0.000 2.385 80 S HA 0.253 4.723 4.470 -0.001 0.000 0.191 80 S C -2.337 171.880 174.600 -0.639 0.000 1.196 80 S CA -1.128 56.761 58.200 -0.518 0.000 1.178 80 S CB 1.808 64.886 63.200 -0.203 0.000 1.258 80 S HN -0.150 nan 8.310 nan 0.000 0.430 81 P HA -0.063 nan 4.420 nan 0.000 0.216 81 P C 1.284 178.253 177.300 -0.552 0.000 1.150 81 P CA 0.692 63.074 63.100 -1.197 0.000 0.837 81 P CB 0.011 30.779 31.700 -1.554 0.000 0.786 82 I N 0.267 120.574 120.570 -0.439 0.000 2.163 82 I HA -0.203 3.966 4.170 -0.001 0.000 0.240 82 I C 2.589 178.633 176.117 -0.122 0.000 1.081 82 I CA 1.621 62.797 61.300 -0.206 0.000 1.353 82 I CB -1.082 36.828 38.000 -0.149 0.000 1.054 82 I HN -0.100 nan 8.210 nan 0.000 0.407 83 E N -0.191 119.935 120.200 -0.124 0.000 2.070 83 E HA -0.291 4.059 4.350 -0.001 0.000 0.197 83 E C 2.120 178.677 176.600 -0.072 0.000 1.004 83 E CA 1.749 58.100 56.400 -0.082 0.000 0.805 83 E CB -0.292 29.365 29.700 -0.072 0.000 0.744 83 E HN 0.428 nan 8.360 nan 0.000 0.451 84 F N 0.909 120.723 119.950 -0.227 0.000 2.069 84 F HA -0.246 4.281 4.527 -0.000 0.000 0.298 84 F C 1.893 177.569 175.800 -0.207 0.000 1.113 84 F CA 1.517 59.379 58.000 -0.231 0.000 1.214 84 F CB -0.109 38.730 39.000 -0.268 0.000 0.978 84 F HN -0.041 nan 8.300 nan 0.000 0.474 85 L N -0.109 121.190 121.223 0.126 0.000 2.083 85 L HA -0.197 4.143 4.340 -0.001 0.000 0.209 85 L C 2.369 179.280 176.870 0.068 0.000 1.083 85 L CA 1.545 56.468 54.840 0.138 0.000 0.752 85 L CB -0.749 41.394 42.059 0.140 0.000 0.899 85 L HN 0.250 nan 8.230 nan 0.000 0.433 86 E N -0.045 120.160 120.200 0.008 0.000 2.072 86 E HA -0.175 4.175 4.350 -0.001 0.000 0.191 86 E C 1.913 178.508 176.600 -0.008 0.000 0.985 86 E CA 0.934 57.353 56.400 0.031 0.000 0.801 86 E CB -0.062 29.635 29.700 -0.004 0.000 0.750 86 E HN 0.473 nan 8.360 nan 0.000 0.452 87 N N 1.018 119.640 118.700 -0.130 0.000 2.104 87 N HA -0.156 4.584 4.740 -0.001 0.000 0.190 87 N C 1.712 177.067 175.510 -0.258 0.000 1.024 87 N CA 1.347 54.278 53.050 -0.197 0.000 0.853 87 N CB -0.368 37.959 38.487 -0.267 0.000 1.008 87 N HN 0.130 nan 8.380 nan 0.000 0.424 88 A N 0.093 122.679 122.820 -0.391 0.000 1.930 88 A HA -0.164 4.156 4.320 -0.001 0.000 0.217 88 A C 2.139 179.547 177.584 -0.293 0.000 1.175 88 A CA 0.948 52.671 52.037 -0.524 0.000 0.627 88 A CB -0.912 17.361 19.000 -1.211 0.000 0.815 88 A HN 0.383 nan 8.150 nan 0.000 0.443 89 Y N 0.507 120.713 120.300 -0.158 0.000 2.224 89 Y HA -0.188 4.361 4.550 -0.001 0.000 0.289 89 Y C 2.289 178.183 175.900 -0.009 0.000 1.146 89 Y CA 2.222 60.353 58.100 0.051 0.000 1.182 89 Y CB -0.253 38.282 38.460 0.124 0.000 0.983 89 Y HN 0.440 nan 8.280 nan 0.000 0.524 90 E N -0.102 120.076 120.200 -0.038 0.000 2.031 90 E HA -0.174 4.175 4.350 -0.001 0.000 0.193 90 E C 2.076 178.530 176.600 -0.243 0.000 0.994 90 E CA 1.671 57.995 56.400 -0.126 0.000 0.800 90 E CB 0.036 29.689 29.700 -0.079 0.000 0.752 90 E HN 0.176 nan 8.360 nan 0.000 0.447 91 K N -0.606 119.592 120.400 -0.337 0.000 2.062 91 K HA -0.082 4.237 4.320 -0.001 0.000 0.205 91 K C 1.896 178.106 176.600 -0.650 0.000 1.051 91 K CA 1.403 57.342 56.287 -0.579 0.000 0.941 91 K CB -0.306 31.665 32.500 -0.881 0.000 0.719 91 K HN 0.327 nan 8.250 nan 0.000 0.440 92 Y N -0.501 119.668 120.300 -0.220 0.000 2.498 92 Y HA 0.278 4.828 4.550 -0.000 0.000 0.259 92 Y C 1.319 177.184 175.900 -0.058 0.000 1.086 92 Y CA 0.220 58.235 58.100 -0.141 0.000 1.287 92 Y CB 0.794 39.134 38.460 -0.200 0.000 1.146 92 Y HN 0.238 nan 8.280 nan 0.000 0.523 93 G N 0.772 109.569 108.800 -0.006 0.000 2.447 93 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.220 93 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.220 93 G C -2.247 172.762 174.900 0.181 0.000 1.261 93 G CA -0.335 44.719 45.100 -0.075 0.000 1.000 93 G HN -0.059 nan 8.290 nan 0.000 0.515 94 P HA 0.238 nan 4.420 nan 0.000 0.230 94 P C 0.422 177.924 177.300 0.338 0.000 1.168 94 P CA 0.923 64.307 63.100 0.474 0.000 0.793 94 P CB 0.384 32.331 31.700 0.410 0.000 0.851 95 V N 2.088 122.162 119.914 0.267 0.000 2.407 95 V HA 0.487 4.607 4.120 -0.001 0.000 0.291 95 V C -0.413 175.707 176.094 0.043 0.000 1.018 95 V CA -0.616 61.729 62.300 0.075 0.000 0.842 95 V CB 1.007 32.899 31.823 0.116 0.000 0.996 95 V HN 0.048 nan 8.190 nan 0.000 0.426 96 F N 1.675 121.639 119.950 0.024 0.000 2.686 96 F HA 0.880 5.407 4.527 -0.000 0.000 0.311 96 F C -0.498 175.314 175.800 0.019 0.000 1.128 96 F CA -0.908 57.063 58.000 -0.048 0.000 0.946 96 F CB 1.524 40.484 39.000 -0.067 0.000 1.336 96 F HN 0.213 nan 8.300 nan 0.000 0.457 97 S N 1.210 117.018 115.700 0.180 0.000 2.568 97 S HA 0.890 5.359 4.470 -0.001 0.000 0.302 97 S C -1.325 173.264 174.600 -0.018 0.000 1.082 97 S CA -0.618 57.626 58.200 0.073 0.000 1.009 97 S CB 1.719 65.008 63.200 0.149 0.000 1.069 97 S HN 0.833 nan 8.310 nan 0.000 0.500 98 F N -1.312 118.546 119.950 -0.154 0.000 2.693 98 F HA 0.706 5.233 4.527 -0.000 0.000 0.309 98 F C -0.832 174.955 175.800 -0.021 0.000 1.129 98 F CA -1.015 56.800 58.000 -0.307 0.000 0.948 98 F CB 0.648 39.476 39.000 -0.287 0.000 1.315 98 F HN 0.432 nan 8.300 nan 0.000 0.447 99 T N 1.368 116.074 114.554 0.254 0.000 2.829 99 T HA 0.720 5.069 4.350 -0.001 0.000 0.282 99 T C -0.552 174.327 174.700 0.299 0.000 0.990 99 T CA -0.564 61.657 62.100 0.201 0.000 1.028 99 T CB 1.451 70.418 68.868 0.165 0.000 0.951 99 T HN 0.722 nan 8.240 nan 0.000 0.460 100 M N 2.189 121.921 119.600 0.221 0.000 2.327 100 M HA 0.393 4.872 4.480 -0.001 0.000 0.298 100 M C -0.317 175.983 176.300 -0.000 0.000 1.065 100 M CA -0.984 54.397 55.300 0.134 0.000 0.916 100 M CB 2.487 35.145 32.600 0.097 0.000 1.630 100 M HN 0.479 nan 8.290 nan 0.000 0.442 101 V N 3.215 122.987 119.914 -0.236 0.000 5.726 101 V HA -0.283 3.837 4.120 -0.001 0.000 0.260 101 V C 1.184 176.790 176.094 -0.813 0.000 0.657 101 V CA 1.575 63.527 62.300 -0.580 0.000 0.584 101 V CB -2.164 29.609 31.823 -0.083 0.000 0.241 101 V HN 1.332 nan 8.190 nan 0.000 0.652 102 G N 0.376 108.579 108.800 -0.995 0.000 2.205 102 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.269 102 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.269 102 G C 0.105 174.884 174.900 -0.202 0.000 0.977 102 G CA 1.084 45.902 45.100 -0.469 0.000 0.652 102 G HN 0.762 nan 8.290 nan 0.000 0.539 103 K N 0.350 120.631 120.400 -0.199 0.000 2.259 103 K HA 0.577 4.896 4.320 -0.001 0.000 0.252 103 K C -0.396 175.937 176.600 -0.445 0.000 0.936 103 K CA -0.503 55.602 56.287 -0.303 0.000 0.810 103 K CB 1.689 34.004 32.500 -0.308 0.000 1.143 103 K HN 0.053 nan 8.250 nan 0.000 0.427 104 T N 2.727 116.927 114.554 -0.590 0.000 2.799 104 T HA 0.439 4.788 4.350 -0.001 0.000 0.286 104 T C -0.790 173.351 174.700 -0.931 0.000 0.973 104 T CA -0.350 61.375 62.100 -0.625 0.000 1.035 104 T CB 0.103 68.596 68.868 -0.625 0.000 0.932 104 T HN 0.217 nan 8.240 nan 0.000 0.469 105 F N 1.349 120.943 119.950 -0.593 0.000 2.467 105 F HA 0.406 4.933 4.527 -0.001 0.000 0.336 105 F C 0.852 176.381 175.800 -0.452 0.000 1.123 105 F CA -0.896 56.769 58.000 -0.559 0.000 0.964 105 F CB 1.745 40.314 39.000 -0.720 0.000 1.136 105 F HN 0.329 nan 8.300 nan 0.000 0.447 106 T N 3.066 117.563 114.554 -0.095 0.000 2.767 106 T HA 0.368 4.718 4.350 -0.001 0.000 0.284 106 T C -0.952 173.638 174.700 -0.184 0.000 0.973 106 T CA -0.301 61.764 62.100 -0.058 0.000 0.996 106 T CB 0.157 69.062 68.868 0.062 0.000 0.927 106 T HN 0.243 nan 8.240 nan 0.000 0.456 107 Y N 2.408 122.452 120.300 -0.427 0.000 2.387 107 Y HA 0.568 5.117 4.550 -0.000 0.000 0.330 107 Y C 0.102 175.781 175.900 -0.369 0.000 1.133 107 Y CA -1.156 56.694 58.100 -0.417 0.000 1.152 107 Y CB 1.093 39.256 38.460 -0.495 0.000 1.215 107 Y HN 0.402 nan 8.280 nan 0.000 0.466 108 L N 5.234 126.418 121.223 -0.066 0.000 2.316 108 L HA 0.538 4.877 4.340 -0.001 0.000 0.280 108 L C -1.107 175.829 176.870 0.111 0.000 1.006 108 L CA -0.369 54.474 54.840 0.005 0.000 0.836 108 L CB 0.915 42.946 42.059 -0.047 0.000 1.221 108 L HN 0.392 nan 8.230 nan 0.000 0.418 109 L N 2.763 124.103 121.223 0.195 0.000 2.342 109 L HA 0.909 5.248 4.340 -0.001 0.000 0.271 109 L C 0.648 177.658 176.870 0.232 0.000 1.008 109 L CA -0.655 54.318 54.840 0.222 0.000 0.818 109 L CB 1.907 44.133 42.059 0.278 0.000 1.296 109 L HN 0.805 nan 8.230 nan 0.000 0.427 110 G N 0.939 109.838 108.800 0.166 0.000 2.796 110 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.571 110 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.571 110 G C 0.333 175.387 174.900 0.256 0.000 1.370 110 G CA 0.036 45.253 45.100 0.196 0.000 0.856 110 G HN 0.688 nan 8.290 nan 0.000 0.538 111 S N -1.080 114.774 115.700 0.256 0.000 2.348 111 S HA -0.057 4.413 4.470 -0.001 0.000 0.219 111 S C 1.951 176.762 174.600 0.351 0.000 1.033 111 S CA 1.885 60.285 58.200 0.334 0.000 0.974 111 S CB -0.370 62.965 63.200 0.225 0.000 0.868 111 S HN 0.619 nan 8.310 nan 0.000 0.459 112 D N 1.584 122.134 120.400 0.251 0.000 2.116 112 D HA -0.101 4.538 4.640 -0.001 0.000 0.193 112 D C 2.095 178.524 176.300 0.215 0.000 0.998 112 D CA 1.542 55.675 54.000 0.222 0.000 0.836 112 D CB -0.561 40.341 40.800 0.169 0.000 0.951 112 D HN 0.490 nan 8.370 nan 0.000 0.449 113 A N 0.967 123.911 122.820 0.208 0.000 1.855 113 A HA 0.113 4.433 4.320 -0.001 0.000 0.213 113 A C 2.344 179.998 177.584 0.116 0.000 1.195 113 A CA 1.919 54.054 52.037 0.163 0.000 0.610 113 A CB -0.822 18.284 19.000 0.178 0.000 0.837 113 A HN 0.210 nan 8.150 nan 0.000 0.444 114 A N 0.210 123.120 122.820 0.150 0.000 1.997 114 A HA -0.008 4.312 4.320 -0.001 0.000 0.221 114 A C 2.457 180.040 177.584 -0.002 0.000 1.172 114 A CA 2.431 54.516 52.037 0.080 0.000 0.645 114 A CB -1.137 18.052 19.000 0.314 0.000 0.813 114 A HN 1.249 nan 8.150 nan 0.000 0.454 115 A N -0.364 122.533 122.820 0.129 0.000 1.940 115 A HA -0.213 4.107 4.320 -0.001 0.000 0.221 115 A C 2.143 179.718 177.584 -0.014 0.000 1.190 115 A CA 2.073 54.152 52.037 0.070 0.000 0.647 115 A CB -0.762 18.441 19.000 0.339 0.000 0.821 115 A HN 0.924 nan 8.150 nan 0.000 0.457 116 L N -0.669 120.552 121.223 -0.003 0.000 1.990 116 L HA -0.186 4.154 4.340 -0.001 0.000 0.213 116 L C 2.407 179.214 176.870 -0.104 0.000 1.072 116 L CA 2.443 57.265 54.840 -0.030 0.000 0.755 116 L CB -0.428 41.618 42.059 -0.022 0.000 0.889 116 L HN 0.502 nan 8.230 nan 0.000 0.432 117 L N -1.804 119.278 121.223 -0.235 0.000 2.056 117 L HA -0.187 4.153 4.340 -0.001 0.000 0.207 117 L C 2.299 178.981 176.870 -0.313 0.000 1.078 117 L CA 1.458 56.098 54.840 -0.333 0.000 0.749 117 L CB -0.310 41.438 42.059 -0.519 0.000 0.901 117 L HN 0.244 nan 8.230 nan 0.000 0.433 118 F N -0.019 119.797 119.950 -0.224 0.000 2.146 118 F HA -0.166 4.360 4.527 -0.001 0.000 0.298 118 F C 2.196 177.926 175.800 -0.117 0.000 1.096 118 F CA 0.964 58.813 58.000 -0.251 0.000 1.275 118 F CB -0.367 38.210 39.000 -0.706 0.000 1.008 118 F HN 0.177 nan 8.300 nan 0.000 0.480 119 N N 0.086 118.826 118.700 0.067 0.000 2.463 119 N HA -0.034 4.705 4.740 -0.001 0.000 0.181 119 N C 0.532 176.087 175.510 0.076 0.000 1.078 119 N CA 0.589 53.702 53.050 0.105 0.000 0.902 119 N CB -0.228 38.333 38.487 0.123 0.000 0.970 119 N HN 0.189 nan 8.380 nan 0.000 0.451 120 S N 0.048 115.777 115.700 0.048 0.000 2.652 120 S HA 0.338 4.808 4.470 -0.001 0.000 0.270 120 S C 0.167 174.800 174.600 0.055 0.000 1.243 120 S CA -0.724 57.500 58.200 0.039 0.000 0.999 120 S CB 1.782 64.989 63.200 0.011 0.000 0.973 120 S HN -0.073 nan 8.310 nan 0.000 0.544 121 K N 0.992 121.420 120.400 0.047 0.000 2.144 121 K HA 0.177 4.497 4.320 -0.001 0.000 0.270 121 K C 0.750 177.392 176.600 0.070 0.000 1.005 121 K CA -0.397 55.921 56.287 0.051 0.000 0.932 121 K CB 0.423 32.947 32.500 0.040 0.000 1.021 121 K HN 0.719 nan 8.250 nan 0.000 0.462 122 N N 1.878 120.636 118.700 0.095 0.000 2.272 122 N HA -0.189 4.551 4.740 -0.001 0.000 0.185 122 N C 0.959 176.524 175.510 0.092 0.000 1.014 122 N CA 1.430 54.570 53.050 0.150 0.000 0.870 122 N CB 0.215 38.819 38.487 0.194 0.000 0.975 122 N HN 0.485 nan 8.380 nan 0.000 0.433 123 E N 0.144 120.382 120.200 0.064 0.000 2.097 123 E HA -0.174 4.175 4.350 -0.001 0.000 0.196 123 E C 1.162 177.777 176.600 0.025 0.000 1.000 123 E CA 1.482 57.907 56.400 0.042 0.000 0.804 123 E CB -0.040 29.680 29.700 0.034 0.000 0.740 123 E HN 0.497 nan 8.360 nan 0.000 0.454 124 D N -0.829 119.585 120.400 0.022 0.000 2.269 124 D HA 0.052 4.692 4.640 -0.001 0.000 0.220 124 D C 0.272 176.566 176.300 -0.010 0.000 0.962 124 D CA 0.487 54.489 54.000 0.003 0.000 0.884 124 D CB 0.402 41.204 40.800 0.003 0.000 1.023 124 D HN 0.114 nan 8.370 nan 0.000 0.484 125 L N 2.076 123.299 121.223 0.000 0.000 2.324 125 L HA 0.260 4.600 4.340 -0.001 0.000 0.274 125 L C -0.068 176.798 176.870 -0.007 0.000 1.012 125 L CA -0.445 54.379 54.840 -0.028 0.000 0.859 125 L CB 1.422 43.451 42.059 -0.050 0.000 1.224 125 L HN -0.110 nan 8.230 nan 0.000 0.429 126 N N 1.590 120.263 118.700 -0.044 0.000 2.455 126 N HA 0.310 5.049 4.740 -0.001 0.000 0.280 126 N C 0.427 175.839 175.510 -0.163 0.000 1.055 126 N CA 0.104 53.134 53.050 -0.033 0.000 0.961 126 N CB 2.255 40.722 38.487 -0.033 0.000 1.121 126 N HN 0.692 nan 8.380 nan 0.000 0.476 127 A N 3.713 126.438 122.820 -0.158 0.000 1.997 127 A HA 0.015 4.334 4.320 -0.001 0.000 0.212 127 A C 1.583 178.901 177.584 -0.443 0.000 1.178 127 A CA 0.668 52.427 52.037 -0.463 0.000 0.698 127 A CB -0.090 18.587 19.000 -0.539 0.000 0.842 127 A HN 0.750 nan 8.150 nan 0.000 0.458 128 E N 1.090 121.239 120.200 -0.085 0.000 2.077 128 E HA -0.161 4.189 4.350 -0.001 0.000 0.193 128 E C 1.128 177.665 176.600 -0.104 0.000 0.989 128 E CA 1.244 57.639 56.400 -0.009 0.000 0.800 128 E CB -0.371 29.413 29.700 0.141 0.000 0.746 128 E HN 0.429 nan 8.360 nan 0.000 0.452 129 D N -0.243 120.086 120.400 -0.118 0.000 2.280 129 D HA -0.118 4.522 4.640 -0.001 0.000 0.206 129 D C 1.373 177.563 176.300 -0.184 0.000 0.988 129 D CA 0.795 54.717 54.000 -0.131 0.000 0.886 129 D CB 0.208 40.934 40.800 -0.122 0.000 0.914 129 D HN 0.080 nan 8.370 nan 0.000 0.473 130 V N -1.435 118.319 119.914 -0.265 0.000 3.539 130 V HA 0.047 4.166 4.120 -0.001 0.000 0.262 130 V C 1.107 177.137 176.094 -0.105 0.000 1.381 130 V CA 0.104 62.263 62.300 -0.235 0.000 1.060 130 V CB 0.300 31.907 31.823 -0.360 0.000 0.842 130 V HN 0.180 nan 8.190 nan 0.000 0.445 131 Y N -1.086 119.106 120.300 -0.180 0.000 2.522 131 Y HA 0.026 4.576 4.550 -0.001 0.000 0.277 131 Y C 2.664 178.467 175.900 -0.161 0.000 1.104 131 Y CA 0.485 58.442 58.100 -0.238 0.000 1.260 131 Y CB 0.293 38.354 38.460 -0.665 0.000 1.151 131 Y HN 0.106 nan 8.280 nan 0.000 0.539 132 S N 0.942 116.658 115.700 0.026 0.000 2.372 132 S HA -0.278 4.192 4.470 -0.001 0.000 0.227 132 S C 1.895 176.465 174.600 -0.050 0.000 1.044 132 S CA 1.795 60.019 58.200 0.040 0.000 1.050 132 S CB -0.370 62.844 63.200 0.023 0.000 0.901 132 S HN 0.447 nan 8.310 nan 0.000 0.447 133 R N 1.162 121.603 120.500 -0.099 0.000 2.159 133 R HA -0.208 4.132 4.340 -0.001 0.000 0.252 133 R C 2.353 178.536 176.300 -0.196 0.000 1.144 133 R CA 1.992 57.998 56.100 -0.158 0.000 0.961 133 R CB -0.918 29.245 30.300 -0.229 0.000 0.877 133 R HN 0.563 nan 8.270 nan 0.000 0.444 134 L N -2.357 118.744 121.223 -0.203 0.000 2.470 134 L HA 0.240 4.580 4.340 -0.001 0.000 0.219 134 L C 2.313 178.892 176.870 -0.485 0.000 1.071 134 L CA 0.612 55.235 54.840 -0.363 0.000 0.850 134 L CB -0.423 41.380 42.059 -0.426 0.000 1.040 134 L HN 0.071 nan 8.230 nan 0.000 0.475 135 T N -3.229 111.111 114.554 -0.358 0.000 2.852 135 T HA -0.052 4.298 4.350 -0.001 0.000 0.256 135 T C 1.814 176.266 174.700 -0.413 0.000 1.038 135 T CA 1.471 63.299 62.100 -0.453 0.000 1.141 135 T CB -0.980 67.919 68.868 0.052 0.000 0.869 135 T HN 0.259 nan 8.240 nan 0.000 0.439 136 T N 3.163 117.626 114.554 -0.152 0.000 2.720 136 T HA -0.021 4.329 4.350 -0.001 0.000 0.268 136 T C -0.469 174.114 174.700 -0.196 0.000 1.037 136 T CA 1.572 63.619 62.100 -0.088 0.000 1.144 136 T CB -1.486 67.364 68.868 -0.030 0.000 0.864 136 T HN 0.384 nan 8.240 nan 0.000 0.444 137 P HA -0.018 nan 4.420 nan 0.000 0.218 137 P C 1.558 178.600 177.300 -0.431 0.000 1.148 137 P CA 0.585 63.478 63.100 -0.344 0.000 0.822 137 P CB -0.127 31.371 31.700 -0.336 0.000 0.784 138 V N -1.783 117.914 119.914 -0.362 0.000 2.300 138 V HA -0.131 3.989 4.120 -0.001 0.000 0.241 138 V C 2.108 178.220 176.094 0.030 0.000 1.034 138 V CA 1.573 63.740 62.300 -0.221 0.000 1.021 138 V CB -1.157 30.516 31.823 -0.250 0.000 0.662 138 V HN 0.024 nan 8.190 nan 0.000 0.458 139 F N 0.418 120.440 119.950 0.119 0.000 2.149 139 F HA 0.405 4.931 4.527 -0.001 0.000 0.294 139 F C 1.411 177.376 175.800 0.275 0.000 1.095 139 F CA 0.819 58.935 58.000 0.192 0.000 1.276 139 F CB -0.129 38.949 39.000 0.130 0.000 1.023 139 F HN 0.399 nan 8.300 nan 0.000 0.480 140 G N 0.207 109.179 108.800 0.288 0.000 2.354 140 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.582 140 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.582 140 G C -1.598 173.399 174.900 0.162 0.000 1.316 140 G CA -1.243 44.015 45.100 0.264 0.000 0.995 140 G HN 0.046 nan 8.290 nan 0.000 0.573 141 K N 0.046 120.538 120.400 0.153 0.000 2.319 141 K HA 0.511 4.831 4.320 -0.001 0.000 0.265 141 K C 1.623 178.293 176.600 0.115 0.000 1.000 141 K CA 1.909 58.261 56.287 0.110 0.000 0.943 141 K CB 0.424 32.987 32.500 0.105 0.000 0.950 141 K HN 2.367 nan 8.250 nan 0.000 0.485 142 G N 0.465 109.316 108.800 0.084 0.000 2.220 142 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.269 142 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.269 142 G C -0.180 174.770 174.900 0.083 0.000 0.977 142 G CA 0.430 45.579 45.100 0.082 0.000 0.634 142 G HN 0.495 nan 8.290 nan 0.000 0.539 143 V N -0.343 119.614 119.914 0.073 0.000 2.715 143 V HA 0.782 4.901 4.120 -0.001 0.000 0.310 143 V C 1.279 177.305 176.094 -0.113 0.000 1.054 143 V CA 0.827 63.146 62.300 0.032 0.000 0.928 143 V CB 1.230 33.104 31.823 0.086 0.000 1.007 143 V HN 2.192 nan 8.190 nan 0.000 0.437 144 A N 4.339 126.916 122.820 -0.405 0.000 5.122 144 A HA -0.321 3.998 4.320 -0.001 0.000 0.315 144 A C 0.757 177.630 177.584 -1.185 0.000 1.926 144 A CA 2.121 53.423 52.037 -1.225 0.000 0.712 144 A CB -1.882 16.708 19.000 -0.684 0.000 1.325 144 A HN 1.102 nan 8.150 nan 0.000 0.371 145 Y N 0.706 120.816 120.300 -0.317 0.000 2.495 145 Y HA 0.336 4.886 4.550 -0.001 0.000 0.293 145 Y C 1.696 177.568 175.900 -0.048 0.000 1.186 145 Y CA 0.565 58.589 58.100 -0.128 0.000 1.266 145 Y CB 0.153 38.637 38.460 0.039 0.000 1.101 145 Y HN 0.611 nan 8.280 nan 0.000 0.517 146 D N 0.167 120.580 120.400 0.022 0.000 2.367 146 D HA -0.000 4.639 4.640 -0.001 0.000 0.207 146 D C 0.427 176.750 176.300 0.038 0.000 1.034 146 D CA 0.348 54.373 54.000 0.042 0.000 0.861 146 D CB 0.484 41.308 40.800 0.040 0.000 0.943 146 D HN 0.103 nan 8.370 nan 0.000 0.515 147 V N -2.478 117.451 119.914 0.025 0.000 3.096 147 V HA 0.718 4.838 4.120 -0.001 0.000 0.319 147 V C -2.516 173.632 176.094 0.091 0.000 1.103 147 V CA -2.154 60.179 62.300 0.056 0.000 1.016 147 V CB 1.008 32.874 31.823 0.071 0.000 1.090 147 V HN -0.236 nan 8.190 nan 0.000 0.449 148 P HA 0.213 nan 4.420 nan 0.000 0.269 148 P C 0.515 177.923 177.300 0.181 0.000 1.209 148 P CA 0.198 63.371 63.100 0.121 0.000 0.776 148 P CB 0.361 32.115 31.700 0.090 0.000 0.876 149 N N 3.834 122.662 118.700 0.214 0.000 2.049 149 N HA -0.192 4.548 4.740 -0.001 0.000 0.198 149 N C -0.971 174.670 175.510 0.218 0.000 1.030 149 N CA 2.389 55.603 53.050 0.274 0.000 0.870 149 N CB -1.490 37.132 38.487 0.226 0.000 1.045 149 N HN 0.376 nan 8.380 nan 0.000 0.434 150 P HA -0.060 nan 4.420 nan 0.000 0.220 150 P C 1.361 178.748 177.300 0.145 0.000 1.148 150 P CA 0.686 63.853 63.100 0.113 0.000 0.803 150 P CB 0.094 31.844 31.700 0.083 0.000 0.782 151 V N -0.930 119.091 119.914 0.178 0.000 2.358 151 V HA -0.215 3.905 4.120 -0.001 0.000 0.246 151 V C 2.146 178.425 176.094 0.308 0.000 1.047 151 V CA 1.507 63.943 62.300 0.227 0.000 1.035 151 V CB -1.276 30.649 31.823 0.171 0.000 0.658 151 V HN 0.092 nan 8.190 nan 0.000 0.452 152 F N 0.308 120.315 119.950 0.095 0.000 2.069 152 F HA -0.236 4.290 4.527 -0.001 0.000 0.298 152 F C 2.257 178.080 175.800 0.038 0.000 1.113 152 F CA 1.512 59.547 58.000 0.059 0.000 1.214 152 F CB 0.002 39.033 39.000 0.052 0.000 0.978 152 F HN 0.057 nan 8.300 nan 0.000 0.474 153 L N 0.372 121.598 121.223 0.006 0.000 2.051 153 L HA -0.302 4.037 4.340 -0.001 0.000 0.214 153 L C 2.314 179.134 176.870 -0.083 0.000 1.076 153 L CA 1.774 56.535 54.840 -0.131 0.000 0.758 153 L CB -0.763 41.263 42.059 -0.056 0.000 0.890 153 L HN 0.241 nan 8.230 nan 0.000 0.433 154 E N -0.497 119.713 120.200 0.017 0.000 2.106 154 E HA -0.242 4.107 4.350 -0.001 0.000 0.192 154 E C 2.252 178.801 176.600 -0.086 0.000 0.984 154 E CA 1.025 57.422 56.400 -0.005 0.000 0.806 154 E CB -0.033 29.729 29.700 0.104 0.000 0.750 154 E HN 0.599 nan 8.360 nan 0.000 0.458 155 Q N 0.471 120.260 119.800 -0.019 0.000 2.167 155 Q HA -0.111 4.228 4.340 -0.001 0.000 0.202 155 Q C 1.969 177.919 176.000 -0.084 0.000 0.970 155 Q CA 0.879 56.660 55.803 -0.036 0.000 0.855 155 Q CB 0.012 28.835 28.738 0.143 0.000 0.911 155 Q HN 0.105 nan 8.270 nan 0.000 0.438 156 K N 1.028 121.333 120.400 -0.158 0.000 2.057 156 K HA -0.132 4.187 4.320 -0.001 0.000 0.207 156 K C 1.939 178.453 176.600 -0.143 0.000 1.049 156 K CA 1.125 57.284 56.287 -0.213 0.000 0.931 156 K CB 0.079 32.368 32.500 -0.351 0.000 0.714 156 K HN 0.055 nan 8.250 nan 0.000 0.440 157 K N 0.276 120.600 120.400 -0.127 0.000 2.147 157 K HA -0.091 4.228 4.320 -0.001 0.000 0.205 157 K C 2.090 178.623 176.600 -0.111 0.000 1.049 157 K CA 1.435 57.660 56.287 -0.104 0.000 0.936 157 K CB -0.047 32.402 32.500 -0.086 0.000 0.722 157 K HN 0.146 nan 8.250 nan 0.000 0.446 158 M N 0.501 120.024 119.600 -0.129 0.000 2.086 158 M HA -0.162 4.317 4.480 -0.001 0.000 0.261 158 M C 2.119 178.340 176.300 -0.132 0.000 1.067 158 M CA 1.635 56.853 55.300 -0.138 0.000 1.116 158 M CB -0.484 32.018 32.600 -0.164 0.000 1.348 158 M HN 0.067 nan 8.290 nan 0.000 0.407 159 L N 0.045 121.195 121.223 -0.122 0.000 2.046 159 L HA -0.194 4.146 4.340 -0.001 0.000 0.208 159 L C 2.507 179.302 176.870 -0.126 0.000 1.077 159 L CA 1.326 56.091 54.840 -0.124 0.000 0.747 159 L CB -0.706 41.290 42.059 -0.104 0.000 0.896 159 L HN 0.248 nan 8.230 nan 0.000 0.432 160 K N -0.058 120.279 120.400 -0.105 0.000 2.034 160 K HA -0.202 4.118 4.320 -0.001 0.000 0.214 160 K C 2.298 178.825 176.600 -0.122 0.000 1.051 160 K CA 1.986 58.221 56.287 -0.086 0.000 0.931 160 K CB -0.306 32.151 32.500 -0.072 0.000 0.715 160 K HN 0.199 nan 8.250 nan 0.000 0.446 161 S N 0.233 115.853 115.700 -0.133 0.000 2.372 161 S HA -0.191 4.279 4.470 -0.001 0.000 0.227 161 S C 2.061 176.512 174.600 -0.248 0.000 1.044 161 S CA 1.585 59.693 58.200 -0.153 0.000 1.050 161 S CB -0.662 62.460 63.200 -0.130 0.000 0.901 161 S HN 0.616 nan 8.310 nan 0.000 0.447 162 G N 0.626 109.248 108.800 -0.298 0.000 2.534 162 G HA2 0.082 4.041 3.960 -0.001 0.000 0.217 162 G HA3 0.082 4.041 3.960 -0.001 0.000 0.217 162 G C 0.412 174.949 174.900 -0.606 0.000 1.128 162 G CA 0.150 44.942 45.100 -0.513 0.000 0.784 162 G HN 0.452 nan 8.290 nan 0.000 0.542 163 L N 2.427 123.428 121.223 -0.371 0.000 2.475 163 L HA 0.346 4.685 4.340 -0.001 0.000 0.253 163 L C -0.040 176.507 176.870 -0.539 0.000 1.137 163 L CA -0.589 54.051 54.840 -0.333 0.000 1.058 163 L CB -0.127 41.976 42.059 0.074 0.000 1.382 163 L HN 0.297 nan 8.230 nan 0.000 0.416 164 N N 0.851 118.995 118.700 -0.927 0.000 2.571 164 N HA 0.444 5.183 4.740 -0.001 0.000 0.273 164 N C 0.869 175.903 175.510 -0.792 0.000 1.340 164 N CA -0.963 51.707 53.050 -0.632 0.000 0.789 164 N CB 1.724 40.051 38.487 -0.266 0.000 1.514 164 N HN 0.038 nan 8.380 nan 0.000 0.499 165 I N 0.281 120.652 120.570 -0.332 0.000 2.194 165 I HA -0.319 3.850 4.170 -0.001 0.000 0.246 165 I C 2.600 178.509 176.117 -0.346 0.000 1.093 165 I CA 2.091 63.199 61.300 -0.320 0.000 1.355 165 I CB -0.726 37.112 38.000 -0.270 0.000 1.046 165 I HN 0.730 nan 8.210 nan 0.000 0.413 166 A N 0.428 123.092 122.820 -0.260 0.000 1.908 166 A HA -0.249 4.070 4.320 -0.001 0.000 0.218 166 A C 2.044 179.425 177.584 -0.339 0.000 1.181 166 A CA 1.941 53.823 52.037 -0.258 0.000 0.627 166 A CB -0.960 17.901 19.000 -0.231 0.000 0.818 166 A HN 0.453 nan 8.150 nan 0.000 0.445 167 H N -1.665 117.162 119.070 -0.405 0.000 2.363 167 H HA 0.016 4.572 4.556 -0.001 0.000 0.301 167 H C 1.684 176.677 175.328 -0.559 0.000 1.074 167 H CA 1.717 57.455 56.048 -0.517 0.000 1.354 167 H CB -0.354 29.112 29.762 -0.494 0.000 1.397 167 H HN 0.492 nan 8.280 nan 0.000 0.516 168 F N 1.354 121.264 119.950 -0.067 0.000 2.202 168 F HA -0.127 4.399 4.527 -0.001 0.000 0.301 168 F C 2.061 177.873 175.800 0.019 0.000 1.082 168 F CA 1.079 59.144 58.000 0.109 0.000 1.313 168 F CB -0.541 38.536 39.000 0.127 0.000 1.024 168 F HN 0.106 nan 8.300 nan 0.000 0.495 169 K N -0.128 120.279 120.400 0.013 0.000 2.148 169 K HA -0.160 4.159 4.320 -0.001 0.000 0.204 169 K C 1.995 178.598 176.600 0.005 0.000 1.050 169 K CA 1.182 57.479 56.287 0.016 0.000 0.942 169 K CB -0.273 32.181 32.500 -0.077 0.000 0.724 169 K HN 0.369 nan 8.250 nan 0.000 0.446 170 Q N -0.350 119.390 119.800 -0.100 0.000 2.083 170 Q HA -0.125 4.215 4.340 -0.001 0.000 0.198 170 Q C 1.962 177.968 176.000 0.011 0.000 0.969 170 Q CA 1.033 56.777 55.803 -0.100 0.000 0.838 170 Q CB -0.033 28.581 28.738 -0.207 0.000 0.900 170 Q HN 0.403 nan 8.270 nan 0.000 0.436 171 H N -0.047 119.111 119.070 0.147 0.000 2.321 171 H HA -0.106 4.450 4.556 -0.001 0.000 0.300 171 H C 2.308 177.698 175.328 0.103 0.000 1.087 171 H CA 1.244 57.399 56.048 0.178 0.000 1.319 171 H CB -0.572 29.407 29.762 0.362 0.000 1.379 171 H HN 0.046 nan 8.280 nan 0.000 0.501 172 V N 1.277 121.337 119.914 0.243 0.000 2.220 172 V HA -0.323 3.796 4.120 -0.001 0.000 0.250 172 V C 2.733 178.872 176.094 0.076 0.000 1.056 172 V CA 2.680 65.067 62.300 0.145 0.000 1.016 172 V CB -0.938 30.979 31.823 0.156 0.000 0.639 172 V HN 0.598 nan 8.190 nan 0.000 0.446 173 S N -0.383 115.352 115.700 0.059 0.000 2.382 173 S HA -0.133 4.336 4.470 -0.001 0.000 0.228 173 S C 1.944 176.538 174.600 -0.010 0.000 1.027 173 S CA 1.682 59.895 58.200 0.022 0.000 0.991 173 S CB -0.706 62.504 63.200 0.016 0.000 0.823 173 S HN 0.517 nan 8.310 nan 0.000 0.469 174 I N 1.387 121.941 120.570 -0.025 0.000 2.127 174 I HA -0.167 4.003 4.170 -0.001 0.000 0.241 174 I C 2.417 178.462 176.117 -0.121 0.000 1.075 174 I CA 1.580 62.796 61.300 -0.140 0.000 1.334 174 I CB -0.367 37.517 38.000 -0.194 0.000 1.040 174 I HN 0.286 nan 8.210 nan 0.000 0.405 175 I N 0.340 120.887 120.570 -0.038 0.000 2.315 175 I HA -0.288 3.881 4.170 -0.001 0.000 0.248 175 I C 2.612 178.713 176.117 -0.027 0.000 1.117 175 I CA 1.301 62.582 61.300 -0.031 0.000 1.404 175 I CB -0.397 37.587 38.000 -0.026 0.000 1.071 175 I HN 0.291 nan 8.210 nan 0.000 0.419 176 E N 1.550 121.741 120.200 -0.014 0.000 2.085 176 E HA -0.279 4.071 4.350 -0.001 0.000 0.194 176 E C 2.108 178.708 176.600 0.000 0.000 0.994 176 E CA 1.475 57.871 56.400 -0.007 0.000 0.801 176 E CB 0.108 29.810 29.700 0.002 0.000 0.743 176 E HN 0.431 nan 8.360 nan 0.000 0.453 177 K N 0.275 120.672 120.400 -0.005 0.000 2.002 177 K HA -0.134 4.186 4.320 -0.001 0.000 0.209 177 K C 2.271 178.888 176.600 0.028 0.000 1.048 177 K CA 1.425 57.717 56.287 0.009 0.000 0.930 177 K CB -0.061 32.439 32.500 0.001 0.000 0.714 177 K HN 0.101 nan 8.250 nan 0.000 0.438 178 E N 0.408 120.621 120.200 0.022 0.000 2.058 178 E HA -0.177 4.173 4.350 -0.001 0.000 0.194 178 E C 2.147 178.779 176.600 0.053 0.000 0.997 178 E CA 1.638 58.066 56.400 0.048 0.000 0.801 178 E CB -0.367 29.358 29.700 0.041 0.000 0.746 178 E HN 0.347 nan 8.360 nan 0.000 0.450 179 T N 1.667 116.243 114.554 0.036 0.000 2.595 179 T HA -0.170 4.179 4.350 -0.001 0.000 0.264 179 T C 1.917 176.739 174.700 0.203 0.000 1.058 179 T CA 1.474 63.631 62.100 0.096 0.000 1.166 179 T CB -0.212 68.680 68.868 0.039 0.000 0.863 179 T HN 0.139 nan 8.240 nan 0.000 0.415 180 K N 0.789 121.255 120.400 0.109 0.000 2.034 180 K HA -0.195 4.124 4.320 -0.001 0.000 0.214 180 K C 2.479 179.145 176.600 0.110 0.000 1.051 180 K CA 1.811 58.154 56.287 0.094 0.000 0.931 180 K CB -0.187 32.337 32.500 0.038 0.000 0.715 180 K HN 0.477 nan 8.250 nan 0.000 0.446 181 E N -0.722 119.528 120.200 0.082 0.000 2.152 181 E HA -0.187 4.163 4.350 -0.001 0.000 0.192 181 E C 1.827 178.446 176.600 0.032 0.000 0.983 181 E CA 0.776 57.209 56.400 0.056 0.000 0.818 181 E CB -0.074 29.654 29.700 0.047 0.000 0.758 181 E HN 0.341 nan 8.360 nan 0.000 0.467 182 Y N 0.212 120.450 120.300 -0.104 0.000 2.114 182 Y HA -0.219 4.331 4.550 -0.001 0.000 0.284 182 Y C 1.547 177.253 175.900 -0.324 0.000 1.143 182 Y CA 1.559 59.499 58.100 -0.267 0.000 1.135 182 Y CB -0.171 38.004 38.460 -0.476 0.000 0.980 182 Y HN -0.057 nan 8.280 nan 0.000 0.499 183 F N 0.861 120.837 119.950 0.043 0.000 2.771 183 F HA -0.027 4.499 4.527 -0.001 0.000 0.299 183 F C 1.942 177.758 175.800 0.027 0.000 1.177 183 F CA 0.646 58.597 58.000 -0.083 0.000 1.450 183 F CB -0.246 38.677 39.000 -0.128 0.000 1.114 183 F HN 0.173 nan 8.300 nan 0.000 0.587 184 E N -0.089 120.185 120.200 0.124 0.000 2.265 184 E HA -0.172 4.178 4.350 -0.001 0.000 0.196 184 E C 2.210 178.893 176.600 0.137 0.000 0.996 184 E CA 1.300 57.770 56.400 0.116 0.000 0.832 184 E CB -0.029 29.701 29.700 0.050 0.000 0.756 184 E HN 0.412 nan 8.360 nan 0.000 0.491 185 S N -0.612 115.154 115.700 0.110 0.000 2.461 185 S HA -0.092 4.378 4.470 -0.001 0.000 0.228 185 S C 1.299 176.101 174.600 0.337 0.000 1.005 185 S CA -0.040 58.248 58.200 0.146 0.000 0.942 185 S CB -0.279 62.931 63.200 0.016 0.000 0.776 185 S HN 0.304 nan 8.310 nan 0.000 0.514 186 W N 2.847 124.218 121.300 0.119 0.000 2.800 186 W HA 0.459 5.119 4.660 -0.001 0.000 0.249 186 W C 1.773 178.479 176.519 0.311 0.000 1.294 186 W CA 0.022 57.473 57.345 0.177 0.000 1.402 186 W CB -1.040 28.438 29.460 0.030 0.000 1.126 186 W HN 0.596 nan 8.180 nan 0.000 0.652 187 G N 0.814 109.892 108.800 0.464 0.000 2.552 187 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.265 187 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.265 187 G C 0.834 175.996 174.900 0.437 0.000 1.234 187 G CA 0.567 45.869 45.100 0.337 0.000 0.944 187 G HN 0.164 nan 8.290 nan 0.000 0.568 188 E N 0.392 120.759 120.200 0.279 0.000 2.364 188 E HA 0.290 4.640 4.350 -0.001 0.000 0.196 188 E C 1.311 178.023 176.600 0.185 0.000 0.990 188 E CA 1.347 57.901 56.400 0.256 0.000 0.886 188 E CB 0.521 30.293 29.700 0.120 0.000 0.866 188 E HN 1.291 nan 8.360 nan 0.000 0.493 189 S N -1.548 114.150 115.700 -0.003 0.000 2.567 189 S HA 0.748 5.217 4.470 -0.001 0.000 0.270 189 S C 0.001 174.192 174.600 -0.681 0.000 1.152 189 S CA -0.311 57.661 58.200 -0.380 0.000 0.835 189 S CB 2.170 65.228 63.200 -0.237 0.000 1.115 189 S HN 0.231 nan 8.310 nan 0.000 0.459 190 G N 0.509 108.574 108.800 -1.225 0.000 2.367 190 G HA2 0.492 4.452 3.960 -0.001 0.000 0.272 190 G HA3 0.492 4.452 3.960 -0.001 0.000 0.272 190 G C -2.295 172.156 174.900 -0.747 0.000 1.271 190 G CA -0.744 43.853 45.100 -0.838 0.000 0.893 190 G HN 0.816 nan 8.290 nan 0.000 0.485 191 E N 0.282 120.306 120.200 -0.294 0.000 2.283 191 E HA 0.521 4.871 4.350 -0.001 0.000 0.258 191 E C -0.875 175.684 176.600 -0.069 0.000 0.893 191 E CA -0.499 55.849 56.400 -0.086 0.000 0.798 191 E CB 2.067 31.722 29.700 -0.075 0.000 1.242 191 E HN 0.437 nan 8.360 nan 0.000 0.414 192 K N 1.474 121.825 120.400 -0.081 0.000 2.480 192 K HA 0.359 4.679 4.320 -0.001 0.000 0.258 192 K C -0.754 175.808 176.600 -0.063 0.000 0.990 192 K CA -1.190 54.938 56.287 -0.264 0.000 0.857 192 K CB 1.635 33.599 32.500 -0.894 0.000 1.384 192 K HN 0.245 nan 8.250 nan 0.000 0.446 193 N N 2.030 120.742 118.700 0.020 0.000 2.416 193 N HA -0.031 4.709 4.740 -0.001 0.000 0.265 193 N C 0.538 176.215 175.510 0.277 0.000 1.195 193 N CA 0.270 53.414 53.050 0.158 0.000 0.943 193 N CB 1.194 39.763 38.487 0.137 0.000 1.115 193 N HN 0.446 nan 8.380 nan 0.000 0.481 194 V N 5.747 125.850 119.914 0.316 0.000 2.379 194 V HA -0.161 3.959 4.120 -0.001 0.000 0.245 194 V C 1.775 177.993 176.094 0.207 0.000 1.044 194 V CA 1.452 63.944 62.300 0.320 0.000 1.036 194 V CB -0.793 31.092 31.823 0.103 0.000 0.664 194 V HN 0.689 nan 8.190 nan 0.000 0.453 195 F N 2.180 122.173 119.950 0.072 0.000 2.171 195 F HA -0.184 4.343 4.527 -0.001 0.000 0.300 195 F C 2.356 178.173 175.800 0.028 0.000 1.090 195 F CA 2.292 60.300 58.000 0.014 0.000 1.293 195 F CB -0.379 38.602 39.000 -0.032 0.000 1.013 195 F HN 0.529 nan 8.300 nan 0.000 0.486 196 E N 0.336 120.490 120.200 -0.078 0.000 2.107 196 E HA -0.105 4.244 4.350 -0.001 0.000 0.191 196 E C 2.227 178.755 176.600 -0.120 0.000 0.982 196 E CA 1.045 57.355 56.400 -0.150 0.000 0.809 196 E CB -0.748 28.971 29.700 0.032 0.000 0.756 196 E HN 0.315 nan 8.360 nan 0.000 0.459 197 A N 1.599 124.429 122.820 0.016 0.000 1.902 197 A HA -0.097 4.223 4.320 -0.001 0.000 0.217 197 A C 2.296 179.593 177.584 -0.479 0.000 1.181 197 A CA 1.306 53.306 52.037 -0.063 0.000 0.623 197 A CB -0.756 18.378 19.000 0.224 0.000 0.818 197 A HN 0.307 nan 8.150 nan 0.000 0.443 198 L N -0.739 120.281 121.223 -0.337 0.000 2.093 198 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 198 L C 2.939 179.576 176.870 -0.388 0.000 1.085 198 L CA 1.344 55.966 54.840 -0.362 0.000 0.755 198 L CB -0.279 41.661 42.059 -0.198 0.000 0.904 198 L HN 0.524 nan 8.230 nan 0.000 0.435 199 S N -0.217 115.205 115.700 -0.463 0.000 2.356 199 S HA -0.238 4.232 4.470 -0.001 0.000 0.223 199 S C 1.860 176.285 174.600 -0.291 0.000 1.032 199 S CA 1.670 59.618 58.200 -0.420 0.000 1.005 199 S CB -0.074 62.802 63.200 -0.541 0.000 0.867 199 S HN 0.427 nan 8.310 nan 0.000 0.449 200 E N 0.059 120.099 120.200 -0.268 0.000 2.051 200 E HA -0.125 4.225 4.350 -0.001 0.000 0.192 200 E C 2.092 178.533 176.600 -0.265 0.000 0.991 200 E CA 1.318 57.615 56.400 -0.171 0.000 0.799 200 E CB -0.283 29.416 29.700 -0.002 0.000 0.748 200 E HN 0.417 nan 8.360 nan 0.000 0.449 201 L N 1.029 121.902 121.223 -0.584 0.000 2.012 201 L HA -0.166 4.173 4.340 -0.001 0.000 0.210 201 L C 2.004 178.700 176.870 -0.290 0.000 1.073 201 L CA 1.644 56.141 54.840 -0.573 0.000 0.748 201 L CB -0.274 41.274 42.059 -0.851 0.000 0.891 201 L HN 0.135 nan 8.230 nan 0.000 0.431 202 I N -0.988 119.419 120.570 -0.273 0.000 2.614 202 I HA -0.250 3.920 4.170 -0.001 0.000 0.258 202 I C 2.354 178.379 176.117 -0.155 0.000 1.189 202 I CA 1.000 62.190 61.300 -0.184 0.000 1.462 202 I CB -0.143 37.757 38.000 -0.167 0.000 1.092 202 I HN 0.288 nan 8.210 nan 0.000 0.442 203 I N 0.258 120.726 120.570 -0.170 0.000 2.546 203 I HA -0.241 3.929 4.170 -0.001 0.000 0.255 203 I C 2.162 178.236 176.117 -0.072 0.000 1.163 203 I CA 1.116 62.325 61.300 -0.150 0.000 1.457 203 I CB 0.189 38.114 38.000 -0.125 0.000 1.092 203 I HN 0.168 nan 8.210 nan 0.000 0.434 204 L N -0.457 120.740 121.223 -0.044 0.000 2.049 204 L HA -0.132 4.208 4.340 -0.001 0.000 0.203 204 L C 2.712 179.614 176.870 0.054 0.000 1.074 204 L CA 1.698 56.552 54.840 0.024 0.000 0.749 204 L CB -1.250 40.834 42.059 0.042 0.000 0.907 204 L HN 0.330 nan 8.230 nan 0.000 0.439 205 T N -1.835 112.725 114.554 0.011 0.000 2.746 205 T HA -0.130 4.219 4.350 -0.001 0.000 0.267 205 T C 1.982 176.724 174.700 0.069 0.000 1.039 205 T CA 1.022 63.147 62.100 0.041 0.000 1.142 205 T CB -0.448 68.405 68.868 -0.025 0.000 0.866 205 T HN 0.279 nan 8.240 nan 0.000 0.444 206 A N 1.600 124.427 122.820 0.012 0.000 1.902 206 A HA -0.012 4.308 4.320 -0.001 0.000 0.217 206 A C 2.738 180.211 177.584 -0.184 0.000 1.181 206 A CA 1.997 54.022 52.037 -0.020 0.000 0.623 206 A CB -1.184 17.766 19.000 -0.083 0.000 0.818 206 A HN 0.521 nan 8.150 nan 0.000 0.443 207 S N -1.520 114.076 115.700 -0.174 0.000 2.356 207 S HA -0.199 4.270 4.470 -0.001 0.000 0.223 207 S C 1.849 176.442 174.600 -0.011 0.000 1.032 207 S CA 1.529 59.622 58.200 -0.178 0.000 1.005 207 S CB -0.556 62.661 63.200 0.028 0.000 0.867 207 S HN 0.811 nan 8.310 nan 0.000 0.449 208 H N -0.784 118.283 119.070 -0.006 0.000 2.390 208 H HA -0.132 4.423 4.556 -0.001 0.000 0.298 208 H C 2.027 177.394 175.328 0.066 0.000 1.106 208 H CA 1.763 57.840 56.048 0.048 0.000 1.297 208 H CB 0.031 29.831 29.762 0.063 0.000 1.375 208 H HN 0.400 nan 8.280 nan 0.000 0.509 209 C N -0.848 118.558 119.300 0.176 0.000 2.524 209 C HA 0.096 4.556 4.460 -0.001 0.000 0.284 209 C C 2.522 177.502 174.990 -0.018 0.000 1.346 209 C CA 0.124 59.209 59.018 0.111 0.000 1.739 209 C CB -0.381 27.281 27.740 -0.130 0.000 2.119 209 C HN 0.495 nan 8.230 nan 0.000 0.501 210 L N -1.036 120.051 121.223 -0.226 0.000 2.354 210 L HA 0.146 4.486 4.340 -0.001 0.000 0.212 210 L C 0.922 177.726 176.870 -0.111 0.000 1.091 210 L CA 0.667 55.326 54.840 -0.302 0.000 0.828 210 L CB -0.422 41.334 42.059 -0.505 0.000 0.973 210 L HN 0.513 nan 8.230 nan 0.000 0.461 211 H N -1.181 117.828 119.070 -0.102 0.000 2.585 211 H HA 0.476 5.031 4.556 -0.001 0.000 0.338 211 H C 0.308 175.615 175.328 -0.035 0.000 1.295 211 H CA -0.771 55.209 56.048 -0.113 0.000 1.356 211 H CB 0.856 30.539 29.762 -0.131 0.000 1.736 211 H HN 0.002 nan 8.280 nan 0.000 0.629 212 G N -0.552 108.307 108.800 0.098 0.000 2.580 212 G HA2 0.070 4.030 3.960 -0.001 0.000 0.278 212 G HA3 0.070 4.030 3.960 -0.001 0.000 0.278 212 G C 0.693 175.613 174.900 0.033 0.000 1.212 212 G CA -0.595 44.543 45.100 0.063 0.000 0.939 212 G HN 0.780 nan 8.290 nan 0.000 0.513 213 K N -0.503 119.905 120.400 0.014 0.000 2.147 213 K HA -0.093 4.226 4.320 -0.001 0.000 0.205 213 K C 1.771 178.339 176.600 -0.052 0.000 1.049 213 K CA 1.746 57.986 56.287 -0.079 0.000 0.936 213 K CB -0.032 32.462 32.500 -0.009 0.000 0.722 213 K HN 0.463 nan 8.250 nan 0.000 0.446 214 E N 1.347 121.544 120.200 -0.004 0.000 2.038 214 E HA -0.144 4.205 4.350 -0.001 0.000 0.195 214 E C 1.990 178.606 176.600 0.027 0.000 1.000 214 E CA 1.855 58.262 56.400 0.011 0.000 0.803 214 E CB -0.169 29.542 29.700 0.019 0.000 0.750 214 E HN 0.357 nan 8.360 nan 0.000 0.448 215 I N 0.151 120.748 120.570 0.045 0.000 2.353 215 I HA -0.172 3.997 4.170 -0.001 0.000 0.248 215 I C 2.573 178.750 176.117 0.100 0.000 1.119 215 I CA 0.586 61.950 61.300 0.106 0.000 1.417 215 I CB -0.228 37.852 38.000 0.133 0.000 1.078 215 I HN 0.037 nan 8.210 nan 0.000 0.421 216 R N 1.343 121.855 120.500 0.020 0.000 2.096 216 R HA -0.145 4.195 4.340 -0.001 0.000 0.235 216 R C 2.383 178.658 176.300 -0.042 0.000 1.127 216 R CA 1.978 58.048 56.100 -0.049 0.000 0.968 216 R CB -0.311 29.808 30.300 -0.303 0.000 0.861 216 R HN 0.459 nan 8.270 nan 0.000 0.440 217 S N -0.028 115.644 115.700 -0.048 0.000 2.515 217 S HA -0.028 4.441 4.470 -0.001 0.000 0.231 217 S C 1.515 176.122 174.600 0.011 0.000 0.987 217 S CA 0.430 58.618 58.200 -0.020 0.000 0.936 217 S CB 0.136 63.325 63.200 -0.019 0.000 0.766 217 S HN 0.245 nan 8.310 nan 0.000 0.528 218 Q N 0.422 120.242 119.800 0.034 0.000 2.360 218 Q HA 0.337 4.677 4.340 -0.001 0.000 0.202 218 Q C -0.024 176.002 176.000 0.044 0.000 0.915 218 Q CA 0.077 55.905 55.803 0.041 0.000 0.943 218 Q CB 0.132 28.906 28.738 0.060 0.000 1.064 218 Q HN 0.571 nan 8.270 nan 0.000 0.511 219 L N 2.791 124.053 121.223 0.065 0.000 2.281 219 L HA 0.140 4.480 4.340 -0.001 0.000 0.285 219 L C 0.243 177.139 176.870 0.044 0.000 1.074 219 L CA -0.234 54.654 54.840 0.081 0.000 0.817 219 L CB 0.297 42.439 42.059 0.139 0.000 1.168 219 L HN 0.179 nan 8.230 nan 0.000 0.434 220 N N 0.739 119.450 118.700 0.018 0.000 3.294 220 N HA 0.178 4.917 4.740 -0.001 0.000 0.355 220 N C 0.494 176.007 175.510 0.005 0.000 1.497 220 N CA -0.795 52.261 53.050 0.009 0.000 0.707 220 N CB 0.486 38.969 38.487 -0.006 0.000 1.732 220 N HN 0.276 nan 8.380 nan 0.000 0.640 221 E N -0.116 120.084 120.200 -0.001 0.000 2.077 221 E HA -0.122 4.228 4.350 -0.001 0.000 0.193 221 E C 1.159 177.748 176.600 -0.020 0.000 0.989 221 E CA 1.613 58.013 56.400 -0.000 0.000 0.800 221 E CB -0.040 29.660 29.700 -0.001 0.000 0.746 221 E HN 0.579 nan 8.360 nan 0.000 0.452 222 K N -1.019 119.358 120.400 -0.040 0.000 2.459 222 K HA 0.064 4.384 4.320 -0.001 0.000 0.193 222 K C 1.368 177.895 176.600 -0.123 0.000 1.030 222 K CA 0.394 56.643 56.287 -0.062 0.000 1.026 222 K CB 0.387 32.855 32.500 -0.054 0.000 0.809 222 K HN 0.019 nan 8.250 nan 0.000 0.504 223 V N -0.276 119.544 119.914 -0.156 0.000 2.599 223 V HA -0.004 4.116 4.120 -0.001 0.000 0.245 223 V C 2.105 177.920 176.094 -0.465 0.000 1.046 223 V CA 1.436 63.532 62.300 -0.340 0.000 1.065 223 V CB -0.079 31.572 31.823 -0.286 0.000 0.703 223 V HN 0.293 nan 8.190 nan 0.000 0.464 224 A N -0.252 122.490 122.820 -0.129 0.000 1.972 224 A HA -0.276 4.043 4.320 -0.001 0.000 0.219 224 A C 2.153 179.760 177.584 0.039 0.000 1.169 224 A CA 2.061 54.148 52.037 0.083 0.000 0.635 224 A CB -0.470 18.600 19.000 0.118 0.000 0.810 224 A HN 0.494 nan 8.150 nan 0.000 0.446 225 Q N -0.230 119.552 119.800 -0.030 0.000 2.119 225 Q HA -0.007 4.333 4.340 -0.001 0.000 0.201 225 Q C 1.862 177.844 176.000 -0.030 0.000 0.972 225 Q CA 1.403 57.199 55.803 -0.012 0.000 0.847 225 Q CB -0.420 28.304 28.738 -0.023 0.000 0.903 225 Q HN 0.695 nan 8.270 nan 0.000 0.433 226 L N -1.190 119.952 121.223 -0.134 0.000 2.156 226 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 226 L C 1.835 178.671 176.870 -0.056 0.000 1.095 226 L CA 0.948 55.700 54.840 -0.148 0.000 0.770 226 L CB -0.405 41.489 42.059 -0.274 0.000 0.914 226 L HN 0.338 nan 8.230 nan 0.000 0.439 227 Y N -0.351 119.960 120.300 0.018 0.000 2.200 227 Y HA -0.210 4.340 4.550 -0.001 0.000 0.290 227 Y C 2.728 178.669 175.900 0.068 0.000 1.137 227 Y CA 0.389 58.515 58.100 0.043 0.000 1.163 227 Y CB -0.295 38.185 38.460 0.034 0.000 0.988 227 Y HN 0.155 nan 8.280 nan 0.000 0.518 228 A N 0.421 123.372 122.820 0.219 0.000 1.940 228 A HA -0.239 4.080 4.320 -0.001 0.000 0.219 228 A C 1.644 179.310 177.584 0.137 0.000 1.176 228 A CA 2.198 54.335 52.037 0.167 0.000 0.631 228 A CB -0.708 18.365 19.000 0.122 0.000 0.814 228 A HN 0.358 nan 8.150 nan 0.000 0.446 229 D N -0.164 120.300 120.400 0.106 0.000 2.144 229 D HA -0.098 4.542 4.640 -0.001 0.000 0.199 229 D C 1.841 178.205 176.300 0.107 0.000 0.984 229 D CA 0.878 54.931 54.000 0.088 0.000 0.834 229 D CB -0.223 40.610 40.800 0.054 0.000 0.955 229 D HN 0.461 nan 8.370 nan 0.000 0.465 230 L N 0.460 121.771 121.223 0.146 0.000 2.156 230 L HA -0.102 4.238 4.340 -0.001 0.000 0.208 230 L C 1.795 178.779 176.870 0.190 0.000 1.095 230 L CA 0.768 55.709 54.840 0.169 0.000 0.770 230 L CB -0.183 42.015 42.059 0.231 0.000 0.914 230 L HN -0.047 nan 8.230 nan 0.000 0.439 231 D N 0.510 121.028 120.400 0.198 0.000 2.117 231 D HA -0.145 4.494 4.640 -0.001 0.000 0.197 231 D C 2.032 178.434 176.300 0.171 0.000 0.987 231 D CA 1.567 55.687 54.000 0.200 0.000 0.829 231 D CB -0.251 40.684 40.800 0.225 0.000 0.961 231 D HN 0.335 nan 8.370 nan 0.000 0.460 232 G N 0.185 109.062 108.800 0.127 0.000 2.653 232 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.212 232 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.212 232 G C 1.475 176.408 174.900 0.055 0.000 1.138 232 G CA 0.857 46.009 45.100 0.087 0.000 0.782 232 G HN 0.362 nan 8.290 nan 0.000 0.535 233 G N 0.032 108.874 108.800 0.070 0.000 2.494 233 G HA2 0.085 4.045 3.960 -0.001 0.000 0.216 233 G HA3 0.085 4.045 3.960 -0.001 0.000 0.216 233 G C 0.291 175.154 174.900 -0.060 0.000 1.140 233 G CA -0.393 44.683 45.100 -0.040 0.000 0.801 233 G HN 0.266 nan 8.290 nan 0.000 0.536 234 F N 2.905 122.805 119.950 -0.084 0.000 2.619 234 F HA 0.402 4.929 4.527 -0.001 0.000 0.350 234 F C 0.844 176.575 175.800 -0.115 0.000 1.259 234 F CA -0.702 57.253 58.000 -0.076 0.000 1.204 234 F CB 0.273 39.249 39.000 -0.040 0.000 1.556 234 F HN 0.048 nan 8.300 nan 0.000 0.650 235 S N 0.636 116.279 115.700 -0.095 0.000 2.599 235 S HA 0.313 4.783 4.470 -0.001 0.000 0.287 235 S C 1.112 175.594 174.600 -0.197 0.000 1.105 235 S CA -0.830 57.187 58.200 -0.307 0.000 0.899 235 S CB 1.107 64.050 63.200 -0.428 0.000 1.100 235 S HN 0.573 nan 8.310 nan 0.000 0.482 236 H N 1.553 120.694 119.070 0.119 0.000 2.272 236 H HA -0.237 4.319 4.556 -0.001 0.000 0.289 236 H C 2.111 177.556 175.328 0.195 0.000 1.100 236 H CA 1.959 58.090 56.048 0.138 0.000 1.209 236 H CB -1.380 28.451 29.762 0.116 0.000 1.348 236 H HN 0.783 nan 8.280 nan 0.000 0.481 237 A N 1.722 124.710 122.820 0.280 0.000 1.930 237 A HA 0.122 4.442 4.320 -0.001 0.000 0.217 237 A C 2.765 180.519 177.584 0.283 0.000 1.175 237 A CA 1.690 53.903 52.037 0.293 0.000 0.627 237 A CB -0.843 18.339 19.000 0.304 0.000 0.815 237 A HN 0.619 nan 8.150 nan 0.000 0.443 238 A N -2.111 120.839 122.820 0.218 0.000 2.067 238 A HA -0.100 4.220 4.320 -0.001 0.000 0.219 238 A C 1.867 179.503 177.584 0.086 0.000 1.158 238 A CA 1.336 53.432 52.037 0.099 0.000 0.661 238 A CB -0.613 18.300 19.000 -0.145 0.000 0.801 238 A HN 0.808 nan 8.150 nan 0.000 0.452 239 W N 0.113 121.401 121.300 -0.020 0.000 2.480 239 W HA 0.067 4.727 4.660 -0.000 0.000 0.299 239 W C 1.804 178.335 176.519 0.020 0.000 1.187 239 W CA 1.514 58.850 57.345 -0.015 0.000 1.347 239 W CB -0.142 29.324 29.460 0.009 0.000 1.121 239 W HN 0.224 nan 8.180 nan 0.000 0.533 240 L N 0.038 121.421 121.223 0.266 0.000 2.049 240 L HA 0.002 4.342 4.340 -0.001 0.000 0.203 240 L C 0.951 177.820 176.870 -0.002 0.000 1.074 240 L CA 0.568 55.496 54.840 0.148 0.000 0.749 240 L CB -1.224 40.994 42.059 0.265 0.000 0.907 240 L HN -0.246 nan 8.230 nan 0.000 0.439 241 L N 1.163 122.398 121.223 0.018 0.000 2.375 241 L HA 0.281 4.621 4.340 -0.001 0.000 0.271 241 L C -1.985 174.788 176.870 -0.162 0.000 1.107 241 L CA -2.047 52.736 54.840 -0.094 0.000 0.806 241 L CB 0.188 42.176 42.059 -0.118 0.000 1.146 241 L HN -0.079 nan 8.230 nan 0.000 0.447 242 P HA 0.030 nan 4.420 nan 0.000 0.271 242 P C 0.624 177.668 177.300 -0.428 0.000 1.218 242 P CA -0.247 62.557 63.100 -0.493 0.000 0.780 242 P CB 0.909 32.050 31.700 -0.933 0.000 0.901 243 G N 1.945 110.657 108.800 -0.148 0.000 2.470 243 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.220 243 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.220 243 G C 1.108 176.108 174.900 0.168 0.000 1.121 243 G CA -0.170 45.016 45.100 0.142 0.000 0.766 243 G HN 0.751 nan 8.290 nan 0.000 0.553 244 W N 0.045 121.413 121.300 0.113 0.000 2.961 244 W HA 0.373 5.033 4.660 -0.001 0.000 0.240 244 W C -0.051 176.483 176.519 0.024 0.000 1.305 244 W CA -0.602 56.780 57.345 0.062 0.000 1.465 244 W CB -0.780 28.697 29.460 0.027 0.000 1.135 244 W HN -0.076 nan 8.180 nan 0.000 0.688 245 L N 3.811 124.960 121.223 -0.124 0.000 2.349 245 L HA 0.195 4.535 4.340 -0.001 0.000 0.275 245 L C -1.777 174.985 176.870 -0.179 0.000 1.115 245 L CA -1.728 53.002 54.840 -0.183 0.000 0.820 245 L CB 0.734 42.522 42.059 -0.450 0.000 1.135 245 L HN -0.385 nan 8.230 nan 0.000 0.445 246 P HA 0.318 nan 4.420 nan 0.000 0.258 246 P C -0.852 176.373 177.300 -0.125 0.000 1.647 246 P CA -0.211 62.859 63.100 -0.050 0.000 1.099 246 P CB 0.360 32.072 31.700 0.021 0.000 1.604 247 L N 4.741 125.818 121.223 -0.243 0.000 2.387 247 L HA 0.424 4.763 4.340 -0.001 0.000 0.266 247 L C -1.077 175.791 176.870 -0.003 0.000 1.059 247 L CA -2.466 52.258 54.840 -0.195 0.000 0.801 247 L CB 0.883 42.693 42.059 -0.415 0.000 1.223 247 L HN 0.012 nan 8.230 nan 0.000 0.456 248 P HA -0.176 nan 4.420 nan 0.000 0.213 248 P C 1.706 179.078 177.300 0.120 0.000 1.170 248 P CA 1.598 64.738 63.100 0.066 0.000 0.898 248 P CB 0.091 31.824 31.700 0.055 0.000 0.787 249 S N -1.588 114.206 115.700 0.157 0.000 2.383 249 S HA -0.214 4.256 4.470 -0.001 0.000 0.229 249 S C 1.890 176.645 174.600 0.258 0.000 1.030 249 S CA 1.221 59.539 58.200 0.196 0.000 1.002 249 S CB -1.724 61.602 63.200 0.210 0.000 0.829 249 S HN -0.083 nan 8.310 nan 0.000 0.467 250 F N 2.330 122.282 119.950 0.004 0.000 2.075 250 F HA 0.111 4.638 4.527 -0.001 0.000 0.297 250 F C 2.844 178.647 175.800 0.005 0.000 1.113 250 F CA 0.934 58.930 58.000 -0.006 0.000 1.218 250 F CB -0.664 38.326 39.000 -0.016 0.000 0.984 250 F HN 0.137 nan 8.300 nan 0.000 0.472 251 R N -0.277 120.353 120.500 0.216 0.000 2.066 251 R HA -0.126 4.214 4.340 -0.001 0.000 0.232 251 R C 2.296 178.648 176.300 0.087 0.000 1.131 251 R CA 1.312 57.486 56.100 0.123 0.000 0.955 251 R CB -0.427 29.931 30.300 0.098 0.000 0.851 251 R HN 0.172 nan 8.270 nan 0.000 0.432 252 R N 0.283 120.836 120.500 0.088 0.000 2.112 252 R HA -0.212 4.127 4.340 -0.001 0.000 0.242 252 R C 2.456 178.790 176.300 0.057 0.000 1.137 252 R CA 2.041 58.181 56.100 0.067 0.000 0.944 252 R CB -0.355 29.989 30.300 0.075 0.000 0.857 252 R HN 0.184 nan 8.270 nan 0.000 0.435 253 R N 0.622 121.156 120.500 0.055 0.000 2.070 253 R HA -0.160 4.179 4.340 -0.001 0.000 0.232 253 R C 1.390 177.714 176.300 0.041 0.000 1.138 253 R CA 2.146 58.267 56.100 0.035 0.000 0.936 253 R CB -0.366 29.921 30.300 -0.022 0.000 0.839 253 R HN 0.156 nan 8.270 nan 0.000 0.429 254 D N 0.208 120.621 120.400 0.023 0.000 2.182 254 D HA -0.191 4.449 4.640 -0.001 0.000 0.201 254 D C 1.962 178.309 176.300 0.079 0.000 0.986 254 D CA 0.917 54.942 54.000 0.042 0.000 0.847 254 D CB -0.265 40.551 40.800 0.026 0.000 0.942 254 D HN 0.287 nan 8.370 nan 0.000 0.467 255 R N 0.525 121.059 120.500 0.057 0.000 2.073 255 R HA -0.120 4.220 4.340 -0.001 0.000 0.234 255 R C 2.056 178.369 176.300 0.021 0.000 1.134 255 R CA 1.528 57.651 56.100 0.038 0.000 0.952 255 R CB -0.156 30.161 30.300 0.028 0.000 0.850 255 R HN 0.118 nan 8.270 nan 0.000 0.433 256 A N -0.168 122.667 122.820 0.025 0.000 1.930 256 A HA -0.206 4.114 4.320 -0.001 0.000 0.217 256 A C 1.931 179.508 177.584 -0.013 0.000 1.175 256 A CA 1.719 53.749 52.037 -0.011 0.000 0.627 256 A CB -0.817 18.187 19.000 0.006 0.000 0.815 256 A HN 0.627 nan 8.150 nan 0.000 0.443 257 H N -0.044 119.002 119.070 -0.039 0.000 2.289 257 H HA -0.127 4.429 4.556 -0.001 0.000 0.296 257 H C 2.266 177.551 175.328 -0.072 0.000 1.091 257 H CA 2.321 58.346 56.048 -0.038 0.000 1.274 257 H CB -0.121 29.637 29.762 -0.008 0.000 1.364 257 H HN 0.420 nan 8.280 nan 0.000 0.490 258 R N 0.050 120.529 120.500 -0.036 0.000 2.083 258 R HA -0.137 4.203 4.340 -0.001 0.000 0.237 258 R C 2.327 178.530 176.300 -0.162 0.000 1.137 258 R CA 1.579 57.629 56.100 -0.084 0.000 0.951 258 R CB -0.129 30.180 30.300 0.015 0.000 0.851 258 R HN 0.495 nan 8.270 nan 0.000 0.434 259 E N 0.644 120.757 120.200 -0.145 0.000 2.051 259 E HA -0.173 4.176 4.350 -0.001 0.000 0.192 259 E C 2.110 178.531 176.600 -0.298 0.000 0.991 259 E CA 1.268 57.563 56.400 -0.176 0.000 0.799 259 E CB -0.191 29.420 29.700 -0.148 0.000 0.748 259 E HN 0.403 nan 8.360 nan 0.000 0.449 260 I N 0.930 121.268 120.570 -0.387 0.000 2.500 260 I HA -0.175 3.995 4.170 -0.001 0.000 0.252 260 I C 2.403 178.027 176.117 -0.822 0.000 1.142 260 I CA 0.662 61.586 61.300 -0.626 0.000 1.451 260 I CB -0.159 37.500 38.000 -0.569 0.000 1.093 260 I HN -0.057 nan 8.210 nan 0.000 0.430 261 K N 0.672 120.674 120.400 -0.664 0.000 2.032 261 K HA -0.265 4.055 4.320 -0.001 0.000 0.209 261 K C 1.754 177.748 176.600 -1.010 0.000 1.048 261 K CA 2.011 57.832 56.287 -0.776 0.000 0.927 261 K CB -0.449 31.619 32.500 -0.718 0.000 0.712 261 K HN 0.252 nan 8.250 nan 0.000 0.441 262 D N 0.798 120.846 120.400 -0.586 0.000 2.117 262 D HA -0.117 4.523 4.640 -0.001 0.000 0.197 262 D C 1.877 178.086 176.300 -0.151 0.000 0.987 262 D CA 0.966 54.829 54.000 -0.227 0.000 0.829 262 D CB -0.051 40.708 40.800 -0.068 0.000 0.961 262 D HN 0.147 nan 8.370 nan 0.000 0.460 263 I N -0.420 119.999 120.570 -0.252 0.000 2.252 263 I HA -0.212 3.957 4.170 -0.001 0.000 0.245 263 I C 1.780 177.889 176.117 -0.013 0.000 1.102 263 I CA 0.487 61.692 61.300 -0.159 0.000 1.385 263 I CB -0.229 37.616 38.000 -0.258 0.000 1.064 263 I HN -0.017 nan 8.210 nan 0.000 0.414 264 F N 0.235 120.066 119.950 -0.199 0.000 2.234 264 F HA -0.158 4.369 4.527 -0.001 0.000 0.299 264 F C 2.379 178.143 175.800 -0.059 0.000 1.087 264 F CA 0.780 58.676 58.000 -0.174 0.000 1.340 264 F CB -1.464 37.389 39.000 -0.246 0.000 1.031 264 F HN 0.108 nan 8.300 nan 0.000 0.500 265 Y N 0.676 121.054 120.300 0.131 0.000 2.165 265 Y HA -0.274 4.275 4.550 -0.001 0.000 0.286 265 Y C 2.389 178.317 175.900 0.048 0.000 1.155 265 Y CA 0.721 58.860 58.100 0.065 0.000 1.164 265 Y CB -0.269 38.210 38.460 0.031 0.000 0.978 265 Y HN -0.073 nan 8.280 nan 0.000 0.513 266 K N 0.435 120.954 120.400 0.198 0.000 1.978 266 K HA -0.190 4.130 4.320 -0.001 0.000 0.214 266 K C 2.365 179.024 176.600 0.097 0.000 1.049 266 K CA 1.368 57.725 56.287 0.117 0.000 0.939 266 K CB -1.044 31.503 32.500 0.079 0.000 0.721 266 K HN 0.294 nan 8.250 nan 0.000 0.441 267 A N 1.445 124.326 122.820 0.102 0.000 1.972 267 A HA -0.094 4.226 4.320 -0.001 0.000 0.219 267 A C 2.317 179.931 177.584 0.049 0.000 1.169 267 A CA 1.119 53.197 52.037 0.070 0.000 0.635 267 A CB -0.648 18.397 19.000 0.074 0.000 0.810 267 A HN 0.236 nan 8.150 nan 0.000 0.446 268 I N -1.238 119.373 120.570 0.069 0.000 2.252 268 I HA -0.265 3.904 4.170 -0.001 0.000 0.245 268 I C 2.740 178.887 176.117 0.050 0.000 1.102 268 I CA 1.650 62.982 61.300 0.053 0.000 1.385 268 I CB -0.226 37.829 38.000 0.092 0.000 1.064 268 I HN 0.342 nan 8.210 nan 0.000 0.414 269 Q N 0.933 120.772 119.800 0.065 0.000 2.119 269 Q HA -0.234 4.106 4.340 -0.001 0.000 0.201 269 Q C 2.078 178.097 176.000 0.033 0.000 0.972 269 Q CA 1.553 57.382 55.803 0.044 0.000 0.847 269 Q CB -0.026 28.741 28.738 0.048 0.000 0.903 269 Q HN 0.127 nan 8.270 nan 0.000 0.433 270 K N 0.039 120.461 120.400 0.037 0.000 2.097 270 K HA -0.149 4.171 4.320 -0.001 0.000 0.206 270 K C 1.960 178.572 176.600 0.020 0.000 1.049 270 K CA 1.574 57.877 56.287 0.028 0.000 0.933 270 K CB -0.090 32.428 32.500 0.031 0.000 0.717 270 K HN 0.124 nan 8.250 nan 0.000 0.442 271 R N -0.515 119.997 120.500 0.019 0.000 2.090 271 R HA 0.088 4.428 4.340 -0.001 0.000 0.219 271 R C 2.200 178.507 176.300 0.011 0.000 1.100 271 R CA 0.725 56.833 56.100 0.013 0.000 0.991 271 R CB -0.114 30.192 30.300 0.008 0.000 0.893 271 R HN 0.012 nan 8.270 nan 0.000 0.443 272 R N 0.212 120.720 120.500 0.013 0.000 2.226 272 R HA -0.168 4.171 4.340 -0.001 0.000 0.246 272 R C 1.835 178.141 176.300 0.009 0.000 1.161 272 R CA 2.008 58.115 56.100 0.011 0.000 0.997 272 R CB 0.102 30.411 30.300 0.014 0.000 0.870 272 R HN 0.438 nan 8.270 nan 0.000 0.465 273 Q N -0.970 118.836 119.800 0.010 0.000 2.396 273 Q HA 0.070 4.409 4.340 -0.001 0.000 0.220 273 Q C 0.314 176.318 176.000 0.007 0.000 0.900 273 Q CA 0.279 56.087 55.803 0.009 0.000 0.925 273 Q CB 0.838 29.582 28.738 0.010 0.000 1.065 273 Q HN 0.194 nan 8.270 nan 0.000 0.535 274 S N 0.203 115.908 115.700 0.008 0.000 2.564 274 S HA 0.070 4.539 4.470 -0.001 0.000 0.278 274 S C 0.588 175.191 174.600 0.005 0.000 1.333 274 S CA -0.352 57.853 58.200 0.007 0.000 1.048 274 S CB 1.333 64.538 63.200 0.008 0.000 0.900 274 S HN 0.165 nan 8.310 nan 0.000 0.505 275 Q N 0.698 120.500 119.800 0.003 0.000 2.376 275 Q HA 0.095 4.434 4.340 -0.001 0.000 0.206 275 Q C -0.423 175.577 176.000 -0.000 0.000 0.921 275 Q CA 0.287 56.090 55.803 0.001 0.000 0.911 275 Q CB -0.049 28.689 28.738 0.001 0.000 1.032 275 Q HN 0.802 nan 8.270 nan 0.000 0.510 276 E N 2.308 122.509 120.200 0.001 0.000 2.729 276 E HA -0.072 4.277 4.350 -0.001 0.000 0.246 276 E C -0.815 175.784 176.600 -0.002 0.000 0.984 276 E CA 0.456 56.856 56.400 -0.001 0.000 0.951 276 E CB 0.104 29.805 29.700 0.002 0.000 0.914 276 E HN 0.011 nan 8.360 nan 0.000 0.509 277 K N 3.644 124.040 120.400 -0.007 0.000 2.351 277 K HA 0.120 4.439 4.320 -0.001 0.000 0.287 277 K C -0.287 176.305 176.600 -0.013 0.000 1.068 277 K CA 0.191 56.472 56.287 -0.011 0.000 0.998 277 K CB 0.064 32.554 32.500 -0.015 0.000 0.968 277 K HN 0.445 nan 8.250 nan 0.000 0.464 278 I N 2.121 122.686 120.570 -0.008 0.000 2.378 278 I HA 0.090 4.260 4.170 -0.001 0.000 0.291 278 I C -0.142 175.970 176.117 -0.009 0.000 0.992 278 I CA -0.594 60.702 61.300 -0.007 0.000 1.154 278 I CB 1.538 39.543 38.000 0.007 0.000 1.315 278 I HN 0.421 nan 8.210 nan 0.000 0.448 279 D N 5.618 125.998 120.400 -0.032 0.000 2.483 279 D HA 0.210 4.850 4.640 -0.001 0.000 0.281 279 D C -0.637 175.650 176.300 -0.022 0.000 1.174 279 D CA -0.377 53.602 54.000 -0.035 0.000 0.938 279 D CB 0.365 41.102 40.800 -0.106 0.000 1.002 279 D HN 0.551 nan 8.370 nan 0.000 0.501 280 D N 0.173 120.633 120.400 0.100 0.000 2.658 280 D HA 0.190 4.829 4.640 -0.001 0.000 0.243 280 D C 1.249 177.662 176.300 0.188 0.000 1.159 280 D CA -0.604 53.526 54.000 0.218 0.000 1.084 280 D CB 0.131 41.019 40.800 0.148 0.000 1.227 280 D HN 0.030 nan 8.370 nan 0.000 0.636 281 I N -0.579 120.042 120.570 0.086 0.000 2.406 281 I HA -0.027 4.143 4.170 -0.001 0.000 0.249 281 I C 2.169 178.254 176.117 -0.054 0.000 1.122 281 I CA 0.493 61.754 61.300 -0.066 0.000 1.431 281 I CB -0.454 37.488 38.000 -0.097 0.000 1.087 281 I HN 0.321 nan 8.210 nan 0.000 0.424 282 L N 0.194 121.406 121.223 -0.018 0.000 2.017 282 L HA -0.229 4.111 4.340 -0.001 0.000 0.208 282 L C 2.457 179.308 176.870 -0.031 0.000 1.073 282 L CA 1.873 56.691 54.840 -0.037 0.000 0.745 282 L CB -0.854 41.186 42.059 -0.032 0.000 0.894 282 L HN 0.205 nan 8.230 nan 0.000 0.432 283 Q N -0.628 119.168 119.800 -0.006 0.000 2.096 283 Q HA -0.180 4.160 4.340 -0.001 0.000 0.204 283 Q C 2.081 178.070 176.000 -0.018 0.000 0.982 283 Q CA 2.645 58.447 55.803 -0.003 0.000 0.850 283 Q CB -0.705 28.043 28.738 0.017 0.000 0.901 283 Q HN 0.633 nan 8.270 nan 0.000 0.422 284 T N 0.613 115.149 114.554 -0.030 0.000 2.759 284 T HA -0.142 4.207 4.350 -0.001 0.000 0.269 284 T C 1.751 176.407 174.700 -0.074 0.000 1.042 284 T CA 1.416 63.479 62.100 -0.063 0.000 1.140 284 T CB -0.241 68.553 68.868 -0.125 0.000 0.864 284 T HN 0.214 nan 8.240 nan 0.000 0.455 285 L N 0.197 121.376 121.223 -0.073 0.000 2.044 285 L HA 0.061 4.401 4.340 -0.001 0.000 0.205 285 L C 2.484 179.322 176.870 -0.053 0.000 1.075 285 L CA 1.018 55.814 54.840 -0.074 0.000 0.747 285 L CB -0.588 41.426 42.059 -0.075 0.000 0.903 285 L HN 0.228 nan 8.230 nan 0.000 0.435 286 L N -0.410 120.790 121.223 -0.037 0.000 2.265 286 L HA -0.195 4.145 4.340 -0.001 0.000 0.215 286 L C 1.695 178.554 176.870 -0.018 0.000 1.117 286 L CA 0.795 55.623 54.840 -0.020 0.000 0.782 286 L CB -0.512 41.539 42.059 -0.012 0.000 0.914 286 L HN 0.288 nan 8.230 nan 0.000 0.441 287 D N 0.098 120.481 120.400 -0.027 0.000 2.327 287 D HA 0.121 4.761 4.640 -0.001 0.000 0.205 287 D C 1.150 177.430 176.300 -0.034 0.000 0.989 287 D CA 0.400 54.385 54.000 -0.024 0.000 0.873 287 D CB 0.150 40.936 40.800 -0.023 0.000 0.955 287 D HN 0.217 nan 8.370 nan 0.000 0.515 288 A N 0.581 123.368 122.820 -0.055 0.000 2.386 288 A HA 0.503 4.823 4.320 -0.001 0.000 0.246 288 A C 0.572 178.112 177.584 -0.074 0.000 1.089 288 A CA 0.118 52.106 52.037 -0.082 0.000 0.790 288 A CB 0.231 19.154 19.000 -0.127 0.000 1.042 288 A HN 0.173 nan 8.150 nan 0.000 0.497 289 T N -1.930 112.571 114.554 -0.088 0.000 2.923 289 T HA 0.572 4.922 4.350 -0.001 0.000 0.311 289 T C -0.639 174.022 174.700 -0.065 0.000 1.183 289 T CA -0.576 61.502 62.100 -0.037 0.000 1.020 289 T CB 0.444 69.328 68.868 0.026 0.000 1.165 289 T HN 0.415 nan 8.240 nan 0.000 0.482 290 Y N 1.466 121.770 120.300 0.007 0.000 2.220 290 Y HA 0.283 4.832 4.550 -0.001 0.000 0.347 290 Y C 2.246 178.150 175.900 0.006 0.000 1.311 290 Y CA -0.604 57.502 58.100 0.009 0.000 1.593 290 Y CB 0.585 39.054 38.460 0.016 0.000 1.419 290 Y HN 0.559 nan 8.280 nan 0.000 0.614 291 K N -0.054 120.465 120.400 0.198 0.000 2.063 291 K HA -0.204 4.115 4.320 -0.001 0.000 0.208 291 K C 1.325 177.982 176.600 0.095 0.000 1.048 291 K CA 1.636 57.988 56.287 0.108 0.000 0.928 291 K CB -0.555 31.996 32.500 0.085 0.000 0.713 291 K HN 0.701 nan 8.250 nan 0.000 0.442 292 D N 0.073 120.539 120.400 0.111 0.000 2.248 292 D HA -0.212 4.427 4.640 -0.001 0.000 0.189 292 D C 1.470 177.811 176.300 0.069 0.000 1.011 292 D CA 2.592 56.633 54.000 0.068 0.000 0.868 292 D CB -0.263 40.562 40.800 0.042 0.000 0.931 292 D HN 0.532 nan 8.370 nan 0.000 0.449 293 G N -0.349 108.512 108.800 0.102 0.000 2.195 293 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.224 293 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.224 293 G C 0.443 175.400 174.900 0.095 0.000 0.990 293 G CA 0.249 45.396 45.100 0.078 0.000 0.639 293 G HN 0.463 nan 8.290 nan 0.000 0.514 294 R N 2.011 122.592 120.500 0.135 0.000 2.401 294 R HA 0.412 4.752 4.340 -0.001 0.000 0.299 294 R C -1.849 174.588 176.300 0.228 0.000 1.064 294 R CA -1.090 55.096 56.100 0.143 0.000 1.000 294 R CB 0.743 31.093 30.300 0.084 0.000 0.973 294 R HN 0.201 nan 8.270 nan 0.000 0.438 295 P HA 0.046 nan 4.420 nan 0.000 0.276 295 P C -0.539 176.860 177.300 0.166 0.000 1.261 295 P CA -0.264 62.905 63.100 0.115 0.000 0.800 295 P CB 0.690 32.427 31.700 0.061 0.000 1.066 296 L N 0.620 121.911 121.223 0.114 0.000 2.380 296 L HA 0.165 4.505 4.340 -0.001 0.000 0.273 296 L C 1.103 178.035 176.870 0.104 0.000 1.138 296 L CA -0.135 54.788 54.840 0.139 0.000 0.832 296 L CB -0.115 41.982 42.059 0.062 0.000 1.124 296 L HN 0.345 nan 8.230 nan 0.000 0.454 297 T N 1.240 115.863 114.554 0.115 0.000 2.903 297 T HA -0.045 4.304 4.350 -0.001 0.000 0.314 297 T C 0.800 175.556 174.700 0.093 0.000 1.078 297 T CA -0.514 61.638 62.100 0.085 0.000 1.114 297 T CB 0.646 69.563 68.868 0.083 0.000 0.987 297 T HN 0.554 nan 8.240 nan 0.000 0.548 298 D N 1.103 121.553 120.400 0.083 0.000 2.158 298 D HA -0.118 4.522 4.640 -0.001 0.000 0.197 298 D C 1.731 178.168 176.300 0.229 0.000 0.995 298 D CA 1.145 55.225 54.000 0.133 0.000 0.846 298 D CB -0.160 40.700 40.800 0.100 0.000 0.941 298 D HN 0.633 nan 8.370 nan 0.000 0.456 299 D N 0.380 120.908 120.400 0.213 0.000 2.078 299 D HA -0.137 4.503 4.640 -0.001 0.000 0.193 299 D C 1.797 178.210 176.300 0.188 0.000 0.990 299 D CA 1.161 55.315 54.000 0.257 0.000 0.827 299 D CB -0.005 40.911 40.800 0.194 0.000 0.975 299 D HN 0.182 nan 8.370 nan 0.000 0.451 300 E N -0.435 119.856 120.200 0.150 0.000 2.065 300 E HA -0.217 4.133 4.350 -0.001 0.000 0.201 300 E C 2.311 178.972 176.600 0.101 0.000 1.016 300 E CA 1.457 57.938 56.400 0.135 0.000 0.818 300 E CB -0.140 29.652 29.700 0.153 0.000 0.749 300 E HN 0.147 nan 8.360 nan 0.000 0.453 301 V N 1.220 121.183 119.914 0.083 0.000 2.252 301 V HA -0.338 3.782 4.120 -0.001 0.000 0.249 301 V C 2.337 178.436 176.094 0.009 0.000 1.056 301 V CA 2.066 64.383 62.300 0.029 0.000 1.022 301 V CB -0.881 30.953 31.823 0.019 0.000 0.641 301 V HN 0.396 nan 8.190 nan 0.000 0.445 302 A N 0.329 123.189 122.820 0.067 0.000 1.940 302 A HA -0.121 4.199 4.320 -0.001 0.000 0.219 302 A C 2.414 180.080 177.584 0.135 0.000 1.176 302 A CA 2.045 54.134 52.037 0.087 0.000 0.631 302 A CB -1.295 17.777 19.000 0.120 0.000 0.814 302 A HN 0.567 nan 8.150 nan 0.000 0.446 303 G N 0.555 109.440 108.800 0.141 0.000 2.459 303 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.217 303 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.217 303 G C 1.581 176.543 174.900 0.103 0.000 1.183 303 G CA 1.449 46.653 45.100 0.174 0.000 0.776 303 G HN 0.675 nan 8.290 nan 0.000 0.552 304 M N -0.371 119.249 119.600 0.033 0.000 2.595 304 M HA 0.361 4.841 4.480 -0.001 0.000 0.248 304 M C 2.103 178.366 176.300 -0.062 0.000 1.119 304 M CA 0.772 56.050 55.300 -0.036 0.000 1.079 304 M CB -0.312 32.274 32.600 -0.024 0.000 1.472 304 M HN 0.110 nan 8.290 nan 0.000 0.501 305 L N 0.773 121.951 121.223 -0.074 0.000 2.131 305 L HA -0.030 4.310 4.340 -0.001 0.000 0.206 305 L C 2.429 179.342 176.870 0.072 0.000 1.087 305 L CA 0.865 55.608 54.840 -0.162 0.000 0.767 305 L CB -0.357 41.279 42.059 -0.704 0.000 0.917 305 L HN 0.267 nan 8.230 nan 0.000 0.441 306 I N -0.298 120.389 120.570 0.195 0.000 2.163 306 I HA -0.191 3.978 4.170 -0.001 0.000 0.240 306 I C 2.617 178.819 176.117 0.142 0.000 1.081 306 I CA 1.455 62.959 61.300 0.339 0.000 1.353 306 I CB -0.840 37.433 38.000 0.454 0.000 1.054 306 I HN 0.258 nan 8.210 nan 0.000 0.407 307 G N 0.890 109.577 108.800 -0.188 0.000 2.475 307 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.220 307 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.220 307 G C 1.721 176.450 174.900 -0.285 0.000 1.125 307 G CA 0.663 45.340 45.100 -0.704 0.000 0.755 307 G HN 0.275 nan 8.290 nan 0.000 0.565 308 L N -0.540 120.607 121.223 -0.127 0.000 2.072 308 L HA 0.073 4.412 4.340 -0.001 0.000 0.205 308 L C 2.661 179.468 176.870 -0.105 0.000 1.079 308 L CA 0.560 55.336 54.840 -0.108 0.000 0.752 308 L CB -0.282 41.714 42.059 -0.105 0.000 0.906 308 L HN 0.294 nan 8.230 nan 0.000 0.436 309 L N -0.699 120.506 121.223 -0.030 0.000 2.131 309 L HA -0.191 4.148 4.340 -0.001 0.000 0.210 309 L C 2.166 178.971 176.870 -0.109 0.000 1.092 309 L CA 1.667 56.448 54.840 -0.098 0.000 0.759 309 L CB -0.165 41.923 42.059 0.047 0.000 0.903 309 L HN 0.108 nan 8.230 nan 0.000 0.435 310 L N -0.789 120.427 121.223 -0.013 0.000 2.084 310 L HA 0.002 4.341 4.340 -0.001 0.000 0.202 310 L C 2.751 179.606 176.870 -0.025 0.000 1.074 310 L CA 1.114 55.955 54.840 0.002 0.000 0.757 310 L CB -1.131 41.051 42.059 0.206 0.000 0.918 310 L HN 0.360 nan 8.230 nan 0.000 0.444 311 A N 0.429 123.252 122.820 0.006 0.000 1.948 311 A HA -0.192 4.127 4.320 -0.001 0.000 0.220 311 A C 2.199 179.812 177.584 0.048 0.000 1.177 311 A CA 2.071 54.129 52.037 0.036 0.000 0.636 311 A CB -1.095 17.926 19.000 0.036 0.000 0.815 311 A HN 0.491 nan 8.150 nan 0.000 0.449 312 G N -2.135 106.672 108.800 0.012 0.000 2.777 312 G HA2 0.054 4.014 3.960 -0.001 0.000 0.211 312 G HA3 0.054 4.014 3.960 -0.001 0.000 0.211 312 G C 1.481 176.397 174.900 0.026 0.000 1.149 312 G CA 0.759 45.901 45.100 0.069 0.000 0.785 312 G HN 0.543 nan 8.290 nan 0.000 0.536 313 Q N -0.506 119.248 119.800 -0.078 0.000 2.123 313 Q HA -0.013 4.327 4.340 -0.001 0.000 0.193 313 Q C 2.135 178.064 176.000 -0.119 0.000 0.981 313 Q CA 0.157 55.852 55.803 -0.180 0.000 0.833 313 Q CB -0.041 28.468 28.738 -0.383 0.000 0.914 313 Q HN 0.424 nan 8.270 nan 0.000 0.484 314 H N 0.246 119.313 119.070 -0.006 0.000 2.423 314 H HA -0.051 4.504 4.556 -0.001 0.000 0.297 314 H C 2.240 177.622 175.328 0.090 0.000 1.075 314 H CA 1.911 57.986 56.048 0.045 0.000 1.342 314 H CB -0.332 29.440 29.762 0.016 0.000 1.395 314 H HN 0.477 nan 8.280 nan 0.000 0.530 315 T N -2.210 112.449 114.554 0.174 0.000 3.007 315 T HA -0.034 4.315 4.350 -0.001 0.000 0.270 315 T C 2.032 176.814 174.700 0.136 0.000 1.107 315 T CA 1.353 63.537 62.100 0.141 0.000 1.118 315 T CB -0.075 68.860 68.868 0.111 0.000 0.889 315 T HN 0.090 nan 8.240 nan 0.000 0.506 316 S N 0.938 116.710 115.700 0.120 0.000 2.499 316 S HA 0.093 4.563 4.470 -0.001 0.000 0.225 316 S C 2.363 177.030 174.600 0.111 0.000 1.050 316 S CA 0.452 58.705 58.200 0.087 0.000 0.928 316 S CB 0.066 63.281 63.200 0.026 0.000 0.803 316 S HN 0.806 nan 8.310 nan 0.000 0.506 317 S N 1.897 117.675 115.700 0.131 0.000 2.345 317 S HA -0.108 4.362 4.470 -0.001 0.000 0.220 317 S C 1.919 176.738 174.600 0.364 0.000 1.031 317 S CA 1.592 59.883 58.200 0.151 0.000 0.996 317 S CB -1.279 61.952 63.200 0.052 0.000 0.882 317 S HN 0.365 nan 8.310 nan 0.000 0.445 318 T N 2.690 117.521 114.554 0.461 0.000 2.597 318 T HA -0.144 4.206 4.350 -0.001 0.000 0.267 318 T C 2.055 176.975 174.700 0.367 0.000 1.053 318 T CA 2.332 64.662 62.100 0.382 0.000 1.165 318 T CB -1.304 67.757 68.868 0.321 0.000 0.863 318 T HN 0.626 nan 8.240 nan 0.000 0.427 319 T N 1.948 116.703 114.554 0.335 0.000 2.708 319 T HA -0.101 4.249 4.350 -0.001 0.000 0.266 319 T C 2.451 177.339 174.700 0.313 0.000 1.037 319 T CA 1.486 63.781 62.100 0.325 0.000 1.146 319 T CB -0.508 68.467 68.868 0.178 0.000 0.865 319 T HN 0.323 nan 8.240 nan 0.000 0.435 320 S N 1.652 117.525 115.700 0.288 0.000 2.370 320 S HA -0.083 4.387 4.470 -0.001 0.000 0.226 320 S C 2.603 177.467 174.600 0.440 0.000 1.033 320 S CA 1.022 59.481 58.200 0.431 0.000 1.011 320 S CB -0.649 62.735 63.200 0.308 0.000 0.852 320 S HN 0.616 nan 8.310 nan 0.000 0.457 321 A N 0.684 123.667 122.820 0.272 0.000 1.877 321 A HA -0.108 4.212 4.320 -0.001 0.000 0.216 321 A C 1.878 179.480 177.584 0.030 0.000 1.186 321 A CA 1.278 53.392 52.037 0.128 0.000 0.620 321 A CB -1.073 18.017 19.000 0.150 0.000 0.822 321 A HN 0.667 nan 8.150 nan 0.000 0.443 322 W N -0.723 120.666 121.300 0.148 0.000 2.354 322 W HA -0.139 4.521 4.660 -0.001 0.000 0.315 322 W C 2.579 179.126 176.519 0.046 0.000 1.206 322 W CA 1.412 58.799 57.345 0.070 0.000 1.290 322 W CB -0.338 29.212 29.460 0.151 0.000 1.152 322 W HN 0.330 nan 8.180 nan 0.000 0.489 323 M N 0.679 120.464 119.600 0.309 0.000 2.149 323 M HA -0.132 4.348 4.480 -0.001 0.000 0.261 323 M C 2.251 178.308 176.300 -0.405 0.000 1.064 323 M CA 2.348 57.654 55.300 0.009 0.000 1.102 323 M CB -0.842 31.624 32.600 -0.224 0.000 1.369 323 M HN 0.107 nan 8.290 nan 0.000 0.408 324 G N -0.000 108.523 108.800 -0.461 0.000 2.529 324 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.219 324 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.219 324 G C 1.145 175.740 174.900 -0.509 0.000 1.177 324 G CA 1.352 46.120 45.100 -0.552 0.000 0.773 324 G HN 0.528 nan 8.290 nan 0.000 0.573 325 F N -0.332 119.439 119.950 -0.297 0.000 2.206 325 F HA 0.184 4.710 4.527 -0.001 0.000 0.298 325 F C 2.437 178.092 175.800 -0.243 0.000 1.090 325 F CA 0.505 58.254 58.000 -0.419 0.000 1.323 325 F CB -0.304 38.169 39.000 -0.878 0.000 1.028 325 F HN 0.074 nan 8.300 nan 0.000 0.492 326 F N 0.035 119.989 119.950 0.006 0.000 2.171 326 F HA -0.220 4.306 4.527 -0.001 0.000 0.300 326 F C 2.147 177.743 175.800 -0.341 0.000 1.090 326 F CA 0.994 58.824 58.000 -0.284 0.000 1.293 326 F CB -0.560 37.741 39.000 -1.164 0.000 1.013 326 F HN -0.100 nan 8.300 nan 0.000 0.486 327 L N -0.829 120.295 121.223 -0.164 0.000 2.179 327 L HA -0.075 4.264 4.340 -0.001 0.000 0.208 327 L C 2.631 179.497 176.870 -0.006 0.000 1.096 327 L CA 0.785 55.548 54.840 -0.127 0.000 0.779 327 L CB -0.781 41.116 42.059 -0.270 0.000 0.922 327 L HN 0.108 nan 8.230 nan 0.000 0.443 328 A N 0.056 122.881 122.820 0.008 0.000 1.968 328 A HA -0.188 4.132 4.320 -0.001 0.000 0.217 328 A C 2.409 180.071 177.584 0.130 0.000 1.169 328 A CA 1.207 53.305 52.037 0.103 0.000 0.638 328 A CB -0.413 18.652 19.000 0.109 0.000 0.812 328 A HN 0.316 nan 8.150 nan 0.000 0.446 329 R N -0.654 119.938 120.500 0.154 0.000 2.119 329 R HA -0.069 4.270 4.340 -0.001 0.000 0.222 329 R C -0.401 175.971 176.300 0.121 0.000 1.088 329 R CA 1.213 57.418 56.100 0.174 0.000 0.984 329 R CB 0.092 30.548 30.300 0.260 0.000 0.884 329 R HN 0.294 nan 8.270 nan 0.000 0.447 330 D N 0.722 121.185 120.400 0.105 0.000 2.479 330 D HA 0.089 4.728 4.640 -0.001 0.000 0.247 330 D C 0.058 176.412 176.300 0.090 0.000 1.119 330 D CA -0.187 53.872 54.000 0.098 0.000 0.922 330 D CB 1.086 41.960 40.800 0.123 0.000 1.014 330 D HN -0.075 nan 8.370 nan 0.000 0.510 331 K N 0.881 121.332 120.400 0.086 0.000 2.217 331 K HA -0.033 4.287 4.320 -0.001 0.000 0.202 331 K C 1.573 178.222 176.600 0.081 0.000 1.051 331 K CA 0.678 57.016 56.287 0.084 0.000 0.952 331 K CB -0.086 32.460 32.500 0.076 0.000 0.736 331 K HN 0.338 nan 8.250 nan 0.000 0.453 332 T N 2.400 116.999 114.554 0.076 0.000 2.643 332 T HA -0.146 4.204 4.350 -0.001 0.000 0.264 332 T C 1.828 176.579 174.700 0.084 0.000 1.045 332 T CA 1.145 63.289 62.100 0.073 0.000 1.155 332 T CB -0.320 68.586 68.868 0.063 0.000 0.863 332 T HN 0.091 nan 8.240 nan 0.000 0.420 333 L N 1.195 122.472 121.223 0.091 0.000 2.079 333 L HA -0.088 4.252 4.340 -0.001 0.000 0.210 333 L C 2.470 179.401 176.870 0.101 0.000 1.081 333 L CA 1.796 56.697 54.840 0.102 0.000 0.752 333 L CB -0.766 41.375 42.059 0.137 0.000 0.896 333 L HN 0.267 nan 8.230 nan 0.000 0.433 334 Q N -0.596 119.262 119.800 0.096 0.000 2.079 334 Q HA -0.267 4.073 4.340 -0.001 0.000 0.200 334 Q C 2.341 178.425 176.000 0.141 0.000 0.974 334 Q CA 1.832 57.699 55.803 0.106 0.000 0.840 334 Q CB -0.080 28.724 28.738 0.110 0.000 0.898 334 Q HN 0.567 nan 8.270 nan 0.000 0.430 335 K N 0.358 120.835 120.400 0.128 0.000 2.057 335 K HA -0.152 4.168 4.320 -0.001 0.000 0.207 335 K C 1.911 178.614 176.600 0.172 0.000 1.049 335 K CA 1.242 57.622 56.287 0.154 0.000 0.931 335 K CB 0.117 32.686 32.500 0.115 0.000 0.714 335 K HN 0.073 nan 8.250 nan 0.000 0.440 336 K N 0.009 120.482 120.400 0.122 0.000 2.148 336 K HA -0.119 4.201 4.320 -0.001 0.000 0.204 336 K C 2.217 178.876 176.600 0.099 0.000 1.050 336 K CA 1.212 57.556 56.287 0.096 0.000 0.942 336 K CB -0.137 32.407 32.500 0.072 0.000 0.724 336 K HN 0.252 nan 8.250 nan 0.000 0.446 337 C N 0.063 119.436 119.300 0.122 0.000 2.446 337 C HA -0.126 4.334 4.460 -0.001 0.000 0.277 337 C C 2.532 177.616 174.990 0.157 0.000 1.275 337 C CA 0.312 59.403 59.018 0.121 0.000 1.727 337 C CB -0.774 27.036 27.740 0.118 0.000 2.010 337 C HN 0.472 nan 8.230 nan 0.000 0.486 338 Y N 1.352 121.694 120.300 0.069 0.000 2.242 338 Y HA -0.058 4.491 4.550 -0.001 0.000 0.291 338 Y C 2.117 178.044 175.900 0.046 0.000 1.137 338 Y CA 1.378 59.517 58.100 0.066 0.000 1.181 338 Y CB -0.479 38.025 38.460 0.074 0.000 0.989 338 Y HN 0.242 nan 8.280 nan 0.000 0.527 339 L N 0.012 121.250 121.223 0.025 0.000 2.046 339 L HA -0.206 4.133 4.340 -0.001 0.000 0.208 339 L C 2.521 179.335 176.870 -0.094 0.000 1.077 339 L CA 1.906 56.703 54.840 -0.071 0.000 0.747 339 L CB -0.646 41.427 42.059 0.024 0.000 0.896 339 L HN 0.230 nan 8.230 nan 0.000 0.432 340 E N -0.258 119.921 120.200 -0.034 0.000 2.204 340 E HA -0.226 4.123 4.350 -0.001 0.000 0.195 340 E C 2.191 178.758 176.600 -0.056 0.000 0.990 340 E CA 0.767 57.149 56.400 -0.030 0.000 0.821 340 E CB 0.185 29.887 29.700 0.004 0.000 0.750 340 E HN 0.471 nan 8.360 nan 0.000 0.477 341 Q N 0.324 120.071 119.800 -0.088 0.000 2.084 341 Q HA -0.150 4.189 4.340 -0.001 0.000 0.202 341 Q C 1.990 177.903 176.000 -0.146 0.000 0.978 341 Q CA 1.150 56.890 55.803 -0.104 0.000 0.844 341 Q CB -0.068 28.605 28.738 -0.109 0.000 0.898 341 Q HN 0.263 nan 8.270 nan 0.000 0.426 342 K N -0.226 120.038 120.400 -0.226 0.000 2.007 342 K HA -0.040 4.279 4.320 -0.001 0.000 0.206 342 K C 2.269 178.806 176.600 -0.104 0.000 1.047 342 K CA 1.427 57.602 56.287 -0.186 0.000 0.937 342 K CB -0.127 32.233 32.500 -0.233 0.000 0.718 342 K HN 0.095 nan 8.250 nan 0.000 0.438 343 T N 1.138 115.639 114.554 -0.088 0.000 2.699 343 T HA -0.133 4.216 4.350 -0.001 0.000 0.268 343 T C 1.968 176.642 174.700 -0.043 0.000 1.036 343 T CA 1.365 63.433 62.100 -0.054 0.000 1.147 343 T CB -0.121 68.722 68.868 -0.041 0.000 0.862 343 T HN -0.044 nan 8.240 nan 0.000 0.446 344 V N 0.080 119.966 119.914 -0.045 0.000 2.374 344 V HA -0.065 4.054 4.120 -0.001 0.000 0.241 344 V C 2.640 178.714 176.094 -0.033 0.000 1.034 344 V CA 1.234 63.514 62.300 -0.035 0.000 1.037 344 V CB -0.330 31.474 31.823 -0.031 0.000 0.682 344 V HN 0.542 nan 8.190 nan 0.000 0.463 345 C N -0.113 119.163 119.300 -0.040 0.000 2.512 345 C HA 0.595 5.055 4.460 -0.001 0.000 0.276 345 C C 1.231 176.202 174.990 -0.033 0.000 1.368 345 C CA 0.152 59.151 59.018 -0.032 0.000 1.755 345 C CB -0.937 26.784 27.740 -0.031 0.000 2.008 345 C HN 0.828 nan 8.230 nan 0.000 0.511 346 G N 0.752 109.525 108.800 -0.045 0.000 2.592 346 G HA2 -0.029 3.931 3.960 -0.001 0.000 0.685 346 G HA3 -0.029 3.931 3.960 -0.001 0.000 0.685 346 G C 0.048 174.916 174.900 -0.054 0.000 1.278 346 G CA -0.259 44.816 45.100 -0.041 0.000 0.822 346 G HN 0.200 nan 8.290 nan 0.000 0.652 347 E N 0.915 121.086 120.200 -0.048 0.000 2.204 347 E HA -0.169 4.181 4.350 -0.001 0.000 0.195 347 E C 2.060 178.642 176.600 -0.029 0.000 0.990 347 E CA 1.352 57.723 56.400 -0.048 0.000 0.821 347 E CB -0.115 29.567 29.700 -0.030 0.000 0.750 347 E HN 0.714 nan 8.360 nan 0.000 0.477 348 N N 1.661 120.349 118.700 -0.020 0.000 2.521 348 N HA -0.119 4.621 4.740 -0.001 0.000 0.188 348 N C 0.628 176.132 175.510 -0.010 0.000 1.146 348 N CA 0.078 53.123 53.050 -0.010 0.000 0.893 348 N CB -0.328 38.155 38.487 -0.007 0.000 0.975 348 N HN 0.134 nan 8.380 nan 0.000 0.451 349 L N 0.621 121.832 121.223 -0.020 0.000 3.889 349 L HA -0.158 4.182 4.340 -0.001 0.000 0.559 349 L C -1.998 174.868 176.870 -0.007 0.000 1.138 349 L CA -0.375 54.455 54.840 -0.018 0.000 0.801 349 L CB -1.384 40.669 42.059 -0.009 0.000 1.241 349 L HN 0.236 nan 8.230 nan 0.000 0.787 350 P HA 0.304 nan 4.420 nan 0.000 0.274 350 P C -2.238 175.063 177.300 0.002 0.000 1.246 350 P CA -1.271 61.828 63.100 -0.001 0.000 0.795 350 P CB -0.018 31.681 31.700 -0.001 0.000 1.006 351 P HA 0.030 nan 4.420 nan 0.000 0.266 351 P C -0.079 177.228 177.300 0.013 0.000 1.186 351 P CA 0.471 63.576 63.100 0.009 0.000 0.767 351 P CB 0.180 31.886 31.700 0.010 0.000 0.820 352 L N 1.982 123.215 121.223 0.016 0.000 2.417 352 L HA 0.256 4.596 4.340 -0.001 0.000 0.268 352 L C 0.752 177.645 176.870 0.038 0.000 1.158 352 L CA 0.555 55.408 54.840 0.022 0.000 0.819 352 L CB 0.448 42.519 42.059 0.021 0.000 1.112 352 L HN 0.361 nan 8.230 nan 0.000 0.458 353 T N 0.705 115.285 114.554 0.043 0.000 2.863 353 T HA 0.130 4.480 4.350 -0.001 0.000 0.285 353 T C 0.433 175.192 174.700 0.098 0.000 1.009 353 T CA -0.375 61.771 62.100 0.077 0.000 0.989 353 T CB 1.244 70.151 68.868 0.065 0.000 1.004 353 T HN 0.477 nan 8.240 nan 0.000 0.455 354 Y N 2.474 122.796 120.300 0.036 0.000 2.173 354 Y HA -0.291 4.259 4.550 -0.001 0.000 0.282 354 Y C 1.824 177.743 175.900 0.032 0.000 1.192 354 Y CA 2.008 60.136 58.100 0.048 0.000 1.176 354 Y CB -0.118 38.390 38.460 0.080 0.000 0.969 354 Y HN 0.675 nan 8.280 nan 0.000 0.519 355 D N -0.476 119.984 120.400 0.100 0.000 2.224 355 D HA -0.158 4.481 4.640 -0.001 0.000 0.205 355 D C 1.919 178.188 176.300 -0.052 0.000 0.965 355 D CA 1.315 55.331 54.000 0.026 0.000 0.852 355 D CB -0.191 40.661 40.800 0.086 0.000 0.947 355 D HN 0.626 nan 8.370 nan 0.000 0.494 356 Q N 0.460 120.236 119.800 -0.039 0.000 2.079 356 Q HA -0.037 4.302 4.340 -0.001 0.000 0.200 356 Q C 2.597 178.548 176.000 -0.082 0.000 0.974 356 Q CA 0.564 56.340 55.803 -0.045 0.000 0.840 356 Q CB -0.071 28.654 28.738 -0.022 0.000 0.898 356 Q HN 0.295 nan 8.270 nan 0.000 0.430 357 L N 1.007 122.153 121.223 -0.129 0.000 2.013 357 L HA -0.255 4.084 4.340 -0.001 0.000 0.212 357 L C 2.379 179.148 176.870 -0.168 0.000 1.073 357 L CA 1.415 56.163 54.840 -0.154 0.000 0.753 357 L CB -0.547 41.376 42.059 -0.227 0.000 0.890 357 L HN 0.177 nan 8.230 nan 0.000 0.432 358 K N -0.249 120.007 120.400 -0.240 0.000 2.293 358 K HA -0.229 4.091 4.320 -0.001 0.000 0.204 358 K C 1.085 177.622 176.600 -0.104 0.000 1.045 358 K CA 1.677 57.853 56.287 -0.185 0.000 0.933 358 K CB -0.112 32.284 32.500 -0.174 0.000 0.736 358 K HN 0.307 nan 8.250 nan 0.000 0.463 359 D N -0.470 119.881 120.400 -0.082 0.000 2.379 359 D HA 0.078 4.718 4.640 -0.001 0.000 0.208 359 D C -0.403 175.875 176.300 -0.036 0.000 1.065 359 D CA 0.141 54.110 54.000 -0.051 0.000 0.848 359 D CB 0.374 41.149 40.800 -0.041 0.000 0.949 359 D HN 0.001 nan 8.370 nan 0.000 0.509 360 L N 1.591 122.793 121.223 -0.035 0.000 2.395 360 L HA 0.250 4.589 4.340 -0.001 0.000 0.268 360 L C 1.099 177.968 176.870 -0.003 0.000 1.223 360 L CA -0.146 54.687 54.840 -0.012 0.000 1.093 360 L CB 0.124 42.182 42.059 -0.000 0.000 1.349 360 L HN -0.019 nan 8.230 nan 0.000 0.427 361 N N 1.247 119.944 118.700 -0.004 0.000 2.392 361 N HA -0.038 4.701 4.740 -0.001 0.000 0.177 361 N C 1.564 177.083 175.510 0.015 0.000 1.066 361 N CA 0.407 53.455 53.050 -0.003 0.000 0.895 361 N CB 0.579 39.058 38.487 -0.013 0.000 0.988 361 N HN 0.443 nan 8.380 nan 0.000 0.457 362 L N 1.125 122.362 121.223 0.023 0.000 2.102 362 L HA 0.067 4.406 4.340 -0.001 0.000 0.202 362 L C 2.071 178.970 176.870 0.048 0.000 1.076 362 L CA 0.971 55.832 54.840 0.035 0.000 0.761 362 L CB -0.729 41.352 42.059 0.036 0.000 0.921 362 L HN -0.050 nan 8.230 nan 0.000 0.444 363 L N 0.042 121.294 121.223 0.049 0.000 2.043 363 L HA -0.283 4.057 4.340 -0.001 0.000 0.212 363 L C 2.094 179.007 176.870 0.072 0.000 1.075 363 L CA 2.346 57.220 54.840 0.056 0.000 0.752 363 L CB -0.942 41.153 42.059 0.059 0.000 0.891 363 L HN 0.498 nan 8.230 nan 0.000 0.432 364 D N -1.136 119.313 120.400 0.081 0.000 2.097 364 D HA -0.207 4.433 4.640 -0.001 0.000 0.195 364 D C 2.340 178.720 176.300 0.133 0.000 0.989 364 D CA 1.375 55.461 54.000 0.143 0.000 0.827 364 D CB -0.002 40.839 40.800 0.069 0.000 0.966 364 D HN 0.238 nan 8.370 nan 0.000 0.456 365 R N -0.671 119.867 120.500 0.064 0.000 2.115 365 R HA -0.060 4.279 4.340 -0.001 0.000 0.230 365 R C 2.438 178.769 176.300 0.053 0.000 1.111 365 R CA 0.932 57.065 56.100 0.055 0.000 0.976 365 R CB -0.380 29.976 30.300 0.093 0.000 0.870 365 R HN 0.336 nan 8.270 nan 0.000 0.445 366 C N 0.302 119.634 119.300 0.053 0.000 2.429 366 C HA -0.090 4.370 4.460 -0.001 0.000 0.277 366 C C 2.465 177.518 174.990 0.106 0.000 1.262 366 C CA 0.594 59.667 59.018 0.092 0.000 1.733 366 C CB -0.693 27.125 27.740 0.131 0.000 2.010 366 C HN 0.440 nan 8.230 nan 0.000 0.483 367 I N 0.702 121.310 120.570 0.063 0.000 2.202 367 I HA -0.211 3.959 4.170 -0.001 0.000 0.242 367 I C 2.592 178.751 176.117 0.069 0.000 1.091 367 I CA 1.564 62.868 61.300 0.007 0.000 1.368 367 I CB -0.556 37.347 38.000 -0.162 0.000 1.058 367 I HN 0.314 nan 8.210 nan 0.000 0.410 368 K N 0.795 121.280 120.400 0.142 0.000 2.127 368 K HA -0.297 4.023 4.320 -0.001 0.000 0.208 368 K C 2.045 178.709 176.600 0.107 0.000 1.047 368 K CA 2.040 58.396 56.287 0.114 0.000 0.927 368 K CB 0.009 32.368 32.500 -0.234 0.000 0.716 368 K HN 0.156 nan 8.250 nan 0.000 0.450 369 E N -0.604 119.625 120.200 0.049 0.000 2.170 369 E HA -0.052 4.298 4.350 -0.001 0.000 0.191 369 E C 1.559 178.081 176.600 -0.130 0.000 0.981 369 E CA 1.457 57.789 56.400 -0.113 0.000 0.830 369 E CB 0.009 29.347 29.700 -0.604 0.000 0.775 369 E HN 0.227 nan 8.360 nan 0.000 0.470 370 T N 0.842 115.438 114.554 0.069 0.000 2.746 370 T HA -0.087 4.263 4.350 -0.001 0.000 0.267 370 T C 1.715 176.473 174.700 0.097 0.000 1.039 370 T CA 1.193 63.403 62.100 0.183 0.000 1.142 370 T CB -0.215 68.819 68.868 0.276 0.000 0.866 370 T HN 0.136 nan 8.240 nan 0.000 0.444 371 L N 0.437 121.707 121.223 0.080 0.000 2.275 371 L HA 0.012 4.352 4.340 -0.001 0.000 0.215 371 L C 2.814 179.677 176.870 -0.012 0.000 1.119 371 L CA 0.896 55.748 54.840 0.019 0.000 0.790 371 L CB -0.380 41.694 42.059 0.025 0.000 0.919 371 L HN 0.157 nan 8.230 nan 0.000 0.443 372 R N 0.488 121.038 120.500 0.082 0.000 2.075 372 R HA -0.114 4.226 4.340 -0.001 0.000 0.232 372 R C 2.054 178.265 176.300 -0.150 0.000 1.126 372 R CA 1.320 57.438 56.100 0.031 0.000 0.963 372 R CB 0.004 30.334 30.300 0.051 0.000 0.858 372 R HN 0.329 nan 8.270 nan 0.000 0.435 373 L N -0.225 120.912 121.223 -0.144 0.000 2.513 373 L HA 0.162 4.502 4.340 -0.001 0.000 0.222 373 L C 0.531 177.306 176.870 -0.157 0.000 1.096 373 L CA 0.157 54.905 54.840 -0.153 0.000 0.857 373 L CB 0.426 42.417 42.059 -0.113 0.000 1.026 373 L HN -0.016 nan 8.230 nan 0.000 0.469 374 R N 0.339 120.754 120.500 -0.143 0.000 2.638 374 R HA 0.287 4.626 4.340 -0.001 0.000 0.261 374 R C -2.669 173.566 176.300 -0.109 0.000 1.515 374 R CA -1.592 54.366 56.100 -0.237 0.000 1.623 374 R CB 0.259 30.275 30.300 -0.473 0.000 1.347 374 R HN -0.101 nan 8.270 nan 0.000 0.705 375 P HA 0.168 nan 4.420 nan 0.000 0.276 375 P C -1.835 175.461 177.300 -0.006 0.000 1.235 375 P CA -1.058 61.988 63.100 -0.091 0.000 0.772 375 P CB 1.152 32.771 31.700 -0.134 0.000 0.871 376 P HA -0.049 nan 4.420 nan 0.000 0.217 376 P C 0.544 177.925 177.300 0.134 0.000 1.151 376 P CA 1.097 64.266 63.100 0.115 0.000 0.828 376 P CB 0.084 31.845 31.700 0.101 0.000 0.788 377 I N 0.855 121.468 120.570 0.071 0.000 2.293 377 I HA 0.152 4.322 4.170 -0.001 0.000 0.299 377 I C 2.002 178.183 176.117 0.107 0.000 1.153 377 I CA 0.108 61.466 61.300 0.097 0.000 1.302 377 I CB -0.127 37.919 38.000 0.077 0.000 1.460 377 I HN -0.124 nan 8.210 nan 0.000 0.552 378 M N 5.228 124.934 119.600 0.177 0.000 2.319 378 M HA 0.157 4.637 4.480 -0.001 0.000 0.265 378 M C 0.107 176.492 176.300 0.142 0.000 1.068 378 M CA 1.660 57.044 55.300 0.141 0.000 1.118 378 M CB 0.463 33.159 32.600 0.161 0.000 1.395 378 M HN 0.313 nan 8.290 nan 0.000 0.435 379 I N 0.434 121.100 120.570 0.160 0.000 2.619 379 I HA 0.285 4.454 4.170 -0.001 0.000 0.292 379 I C -1.298 174.889 176.117 0.116 0.000 1.100 379 I CA -0.674 60.714 61.300 0.146 0.000 1.043 379 I CB 2.346 40.448 38.000 0.171 0.000 1.239 379 I HN 0.046 nan 8.210 nan 0.000 0.420 380 M N 6.269 125.913 119.600 0.074 0.000 2.336 380 M HA 0.581 5.060 4.480 -0.001 0.000 0.342 380 M C -0.674 175.607 176.300 -0.032 0.000 1.128 380 M CA 0.202 55.549 55.300 0.078 0.000 1.016 380 M CB 1.794 34.420 32.600 0.044 0.000 1.665 380 M HN 0.412 nan 8.290 nan 0.000 0.445 381 M N 2.503 122.113 119.600 0.017 0.000 2.518 381 M HA 0.634 5.114 4.480 -0.001 0.000 0.300 381 M C -0.938 175.170 176.300 -0.321 0.000 1.175 381 M CA -0.793 54.416 55.300 -0.153 0.000 0.890 381 M CB 2.238 34.789 32.600 -0.081 0.000 1.710 381 M HN 0.581 nan 8.290 nan 0.000 0.453 382 R N 1.776 122.108 120.500 -0.281 0.000 2.799 382 R HA 0.617 4.956 4.340 -0.001 0.000 0.270 382 R C -1.364 174.809 176.300 -0.212 0.000 1.010 382 R CA -1.026 54.901 56.100 -0.288 0.000 0.916 382 R CB 2.012 32.182 30.300 -0.216 0.000 1.228 382 R HN 0.672 nan 8.270 nan 0.000 0.469 383 M N 1.292 120.780 119.600 -0.187 0.000 2.180 383 M HA 0.458 4.938 4.480 -0.001 0.000 0.350 383 M C -0.755 175.483 176.300 -0.104 0.000 1.125 383 M CA -0.287 54.929 55.300 -0.139 0.000 1.031 383 M CB 1.597 34.117 32.600 -0.133 0.000 1.623 383 M HN 0.689 nan 8.290 nan 0.000 0.451 384 A N 6.068 128.834 122.820 -0.089 0.000 2.438 384 A HA 0.329 4.649 4.320 -0.001 0.000 0.280 384 A C 0.636 178.184 177.584 -0.061 0.000 1.160 384 A CA -0.254 51.738 52.037 -0.074 0.000 0.821 384 A CB -0.161 18.790 19.000 -0.082 0.000 1.101 384 A HN 0.981 nan 8.150 nan 0.000 0.515 385 R N 1.475 121.946 120.500 -0.049 0.000 2.189 385 R HA 0.039 4.378 4.340 -0.001 0.000 0.203 385 R C 0.548 176.828 176.300 -0.033 0.000 1.012 385 R CA 1.309 57.386 56.100 -0.038 0.000 1.015 385 R CB -0.076 30.209 30.300 -0.025 0.000 0.938 385 R HN 0.807 nan 8.270 nan 0.000 0.472 386 T N -1.097 113.437 114.554 -0.034 0.000 2.907 386 T HA 0.492 4.841 4.350 -0.001 0.000 0.290 386 T C -2.962 171.712 174.700 -0.044 0.000 1.066 386 T CA -2.506 59.575 62.100 -0.031 0.000 1.012 386 T CB 2.591 71.448 68.868 -0.019 0.000 1.184 386 T HN -0.267 nan 8.240 nan 0.000 0.522 387 P HA 0.318 nan 4.420 nan 0.000 0.271 387 P C -0.794 176.483 177.300 -0.039 0.000 1.216 387 P CA -0.199 62.871 63.100 -0.049 0.000 0.771 387 P CB 0.361 32.039 31.700 -0.037 0.000 0.864 388 Q N 1.335 121.107 119.800 -0.047 0.000 2.375 388 Q HA 0.485 4.825 4.340 -0.001 0.000 0.271 388 Q C -0.656 175.335 176.000 -0.015 0.000 1.074 388 Q CA -0.307 55.478 55.803 -0.030 0.000 0.808 388 Q CB 2.246 30.961 28.738 -0.038 0.000 1.327 388 Q HN 0.267 nan 8.270 nan 0.000 0.441 389 T N 0.980 115.536 114.554 0.002 0.000 2.792 389 T HA 0.624 4.974 4.350 -0.001 0.000 0.280 389 T C -0.995 173.725 174.700 0.033 0.000 0.990 389 T CA -0.509 61.602 62.100 0.019 0.000 0.960 389 T CB 1.389 70.263 68.868 0.011 0.000 0.939 389 T HN 0.322 nan 8.240 nan 0.000 0.439 390 V N 2.646 122.596 119.914 0.061 0.000 2.932 390 V HA 0.631 4.750 4.120 -0.001 0.000 0.307 390 V C 0.122 176.281 176.094 0.109 0.000 1.147 390 V CA 0.113 62.460 62.300 0.079 0.000 0.951 390 V CB 1.552 33.424 31.823 0.081 0.000 1.031 390 V HN 1.235 nan 8.190 nan 0.000 0.426 391 A N 4.063 126.931 122.820 0.080 0.000 2.799 391 A HA -0.031 4.289 4.320 -0.001 0.000 0.274 391 A C 2.118 179.592 177.584 -0.183 0.000 1.393 391 A CA 2.367 54.428 52.037 0.041 0.000 0.909 391 A CB -1.845 17.273 19.000 0.197 0.000 1.012 391 A HN 3.018 nan 8.150 nan 0.000 0.653 392 G N -4.126 104.576 108.800 -0.163 0.000 2.217 392 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.246 392 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.246 392 G C 0.092 174.810 174.900 -0.303 0.000 0.990 392 G CA 0.608 45.546 45.100 -0.269 0.000 0.627 392 G HN 1.412 nan 8.290 nan 0.000 0.522 393 Y N 1.264 121.582 120.300 0.030 0.000 2.301 393 Y HA 0.564 5.113 4.550 -0.001 0.000 0.325 393 Y C 0.928 176.826 175.900 -0.004 0.000 1.203 393 Y CA 0.081 58.194 58.100 0.021 0.000 1.255 393 Y CB 1.397 39.878 38.460 0.036 0.000 1.232 393 Y HN 0.001 nan 8.280 nan 0.000 0.501 394 T N 4.523 119.161 114.554 0.141 0.000 2.770 394 T HA 0.418 4.768 4.350 -0.001 0.000 0.297 394 T C -0.105 174.582 174.700 -0.021 0.000 0.997 394 T CA -0.590 61.534 62.100 0.040 0.000 0.949 394 T CB -0.143 68.733 68.868 0.013 0.000 0.941 394 T HN 0.355 nan 8.240 nan 0.000 0.457 395 I N 6.974 127.499 120.570 -0.074 0.000 2.452 395 I HA 0.209 4.378 4.170 -0.001 0.000 0.287 395 I C -1.730 174.221 176.117 -0.277 0.000 1.079 395 I CA -2.008 59.154 61.300 -0.231 0.000 1.387 395 I CB 0.612 38.495 38.000 -0.195 0.000 1.404 395 I HN 0.306 nan 8.210 nan 0.000 0.522 396 P HA 0.271 nan 4.420 nan 0.000 0.277 396 P C -2.607 174.562 177.300 -0.219 0.000 1.240 396 P CA -1.987 60.955 63.100 -0.264 0.000 0.798 396 P CB 0.008 31.581 31.700 -0.212 0.000 0.979 397 P HA 0.105 nan 4.420 nan 0.000 0.265 397 P C 1.031 178.316 177.300 -0.025 0.000 1.193 397 P CA 1.287 64.348 63.100 -0.064 0.000 0.765 397 P CB -0.085 31.587 31.700 -0.047 0.000 0.823 398 G N 1.607 110.398 108.800 -0.015 0.000 2.541 398 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.201 398 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.201 398 G C 0.056 174.953 174.900 -0.003 0.000 1.026 398 G CA -0.455 44.642 45.100 -0.004 0.000 0.687 398 G HN 0.628 nan 8.290 nan 0.000 0.492 399 H N 2.295 121.266 119.070 -0.165 0.000 2.897 399 H HA 0.248 4.804 4.556 -0.001 0.000 0.347 399 H C 0.146 175.326 175.328 -0.246 0.000 1.068 399 H CA 0.297 56.212 56.048 -0.221 0.000 1.426 399 H CB 0.499 30.157 29.762 -0.174 0.000 1.410 399 H HN 0.317 nan 8.280 nan 0.000 0.597 400 Q N 2.956 122.598 119.800 -0.262 0.000 2.314 400 Q HA 0.213 4.553 4.340 -0.001 0.000 0.257 400 Q C -0.347 175.554 176.000 -0.164 0.000 0.975 400 Q CA -0.444 55.230 55.803 -0.215 0.000 0.933 400 Q CB 1.413 30.000 28.738 -0.250 0.000 1.195 400 Q HN 0.290 nan 8.270 nan 0.000 0.426 401 V N 2.782 122.597 119.914 -0.165 0.000 2.498 401 V HA 0.276 4.396 4.120 -0.001 0.000 0.279 401 V C 0.071 175.974 176.094 -0.318 0.000 1.048 401 V CA -0.434 61.739 62.300 -0.213 0.000 0.967 401 V CB 1.243 32.961 31.823 -0.174 0.000 0.988 401 V HN 0.872 nan 8.190 nan 0.000 0.473 402 C N 4.301 123.303 119.300 -0.498 0.000 2.626 402 C HA 0.806 5.266 4.460 -0.001 0.000 0.310 402 C C -0.133 174.532 174.990 -0.541 0.000 1.191 402 C CA -0.701 57.902 59.018 -0.692 0.000 1.517 402 C CB 1.669 28.527 27.740 -1.471 0.000 2.102 402 C HN 0.647 nan 8.230 nan 0.000 0.479 403 V N 1.778 121.501 119.914 -0.319 0.000 2.735 403 V HA 0.715 4.834 4.120 -0.001 0.000 0.310 403 V C -0.253 175.875 176.094 0.058 0.000 1.061 403 V CA -0.233 62.000 62.300 -0.112 0.000 0.913 403 V CB 2.237 33.927 31.823 -0.223 0.000 1.005 403 V HN 0.881 nan 8.190 nan 0.000 0.428 404 S N 4.764 120.574 115.700 0.183 0.000 2.669 404 S HA 0.474 4.944 4.470 -0.001 0.000 0.315 404 S C -1.829 172.860 174.600 0.149 0.000 1.106 404 S CA -1.479 56.837 58.200 0.193 0.000 1.107 404 S CB 1.645 64.994 63.200 0.247 0.000 0.990 404 S HN 0.521 nan 8.310 nan 0.000 0.471 405 P HA -0.132 nan 4.420 nan 0.000 0.216 405 P C 1.490 178.808 177.300 0.029 0.000 1.157 405 P CA 1.602 64.752 63.100 0.083 0.000 0.880 405 P CB -0.117 31.593 31.700 0.017 0.000 0.791 406 T N -0.537 114.018 114.554 0.001 0.000 2.624 406 T HA -0.169 4.180 4.350 -0.001 0.000 0.268 406 T C 1.848 176.525 174.700 -0.039 0.000 1.041 406 T CA 1.777 63.848 62.100 -0.047 0.000 1.159 406 T CB -1.327 67.507 68.868 -0.056 0.000 0.863 406 T HN -0.099 nan 8.240 nan 0.000 0.434 407 V N 2.161 122.080 119.914 0.008 0.000 2.261 407 V HA -0.187 3.932 4.120 -0.001 0.000 0.246 407 V C 2.452 178.563 176.094 0.027 0.000 1.047 407 V CA 1.868 64.171 62.300 0.005 0.000 1.015 407 V CB -0.833 31.013 31.823 0.039 0.000 0.642 407 V HN 0.398 nan 8.190 nan 0.000 0.446 408 N N 0.039 118.795 118.700 0.093 0.000 2.192 408 N HA -0.216 4.524 4.740 -0.001 0.000 0.188 408 N C 1.815 177.519 175.510 0.324 0.000 1.013 408 N CA 1.331 54.495 53.050 0.189 0.000 0.863 408 N CB -0.264 38.367 38.487 0.240 0.000 0.990 408 N HN 0.583 nan 8.380 nan 0.000 0.430 409 Q N -0.696 119.178 119.800 0.124 0.000 2.403 409 Q HA 0.118 4.458 4.340 -0.001 0.000 0.203 409 Q C 0.737 176.266 176.000 -0.785 0.000 0.932 409 Q CA 0.250 55.977 55.803 -0.127 0.000 0.945 409 Q CB 0.402 29.039 28.738 -0.169 0.000 1.045 409 Q HN 0.457 nan 8.270 nan 0.000 0.511 410 R N -1.075 119.217 120.500 -0.347 0.000 2.566 410 R HA 0.214 4.553 4.340 -0.001 0.000 0.388 410 R C -0.502 175.824 176.300 0.043 0.000 0.989 410 R CA -0.446 55.476 56.100 -0.297 0.000 1.164 410 R CB -0.072 30.104 30.300 -0.207 0.000 1.459 410 R HN -0.034 nan 8.270 nan 0.000 0.553 411 L N 2.683 124.053 121.223 0.245 0.000 2.584 411 L HA 0.056 4.396 4.340 -0.001 0.000 0.272 411 L C 1.356 178.361 176.870 0.225 0.000 1.195 411 L CA 0.620 55.557 54.840 0.163 0.000 0.920 411 L CB 0.765 42.885 42.059 0.101 0.000 1.173 411 L HN 0.194 nan 8.230 nan 0.000 0.489 412 K N 2.101 122.577 120.400 0.126 0.000 2.152 412 K HA -0.179 4.140 4.320 -0.001 0.000 0.206 412 K C 0.896 177.572 176.600 0.126 0.000 1.048 412 K CA 1.678 58.042 56.287 0.129 0.000 0.933 412 K CB 0.170 32.733 32.500 0.105 0.000 0.721 412 K HN 0.780 nan 8.250 nan 0.000 0.447 413 D N -0.548 119.934 120.400 0.137 0.000 2.263 413 D HA -0.100 4.539 4.640 -0.001 0.000 0.208 413 D C 1.265 177.587 176.300 0.036 0.000 0.971 413 D CA 1.351 55.418 54.000 0.112 0.000 0.867 413 D CB 0.220 41.121 40.800 0.168 0.000 0.929 413 D HN 0.290 nan 8.370 nan 0.000 0.492 414 S N -2.497 113.203 115.700 0.000 0.000 2.998 414 S HA 0.179 4.649 4.470 -0.001 0.000 0.256 414 S C -0.490 173.878 174.600 -0.386 0.000 0.970 414 S CA -0.851 57.230 58.200 -0.198 0.000 1.238 414 S CB -0.436 62.598 63.200 -0.276 0.000 1.170 414 S HN 0.086 nan 8.310 nan 0.000 0.663 415 W N 1.399 122.696 121.300 -0.004 0.000 2.739 415 W HA 0.683 5.342 4.660 -0.001 0.000 0.331 415 W C -0.736 175.759 176.519 -0.040 0.000 1.049 415 W CA -0.923 56.406 57.345 -0.028 0.000 1.234 415 W CB 1.736 31.180 29.460 -0.027 0.000 1.404 415 W HN -0.095 nan 8.180 nan 0.000 0.477 416 V N 3.947 123.954 119.914 0.156 0.000 2.546 416 V HA 0.121 4.241 4.120 -0.001 0.000 0.284 416 V C 0.369 176.497 176.094 0.056 0.000 1.050 416 V CA -0.845 61.496 62.300 0.069 0.000 0.981 416 V CB 0.989 32.821 31.823 0.014 0.000 0.990 416 V HN 0.711 nan 8.190 nan 0.000 0.474 417 E N 3.525 123.741 120.200 0.028 0.000 2.210 417 E HA -0.310 4.040 4.350 -0.001 0.000 0.201 417 E C 1.433 178.027 176.600 -0.009 0.000 1.339 417 E CA 0.749 57.148 56.400 -0.000 0.000 0.699 417 E CB -0.973 28.713 29.700 -0.023 0.000 1.126 417 E HN 0.926 nan 8.360 nan 0.000 0.355 418 R N 0.265 120.776 120.500 0.018 0.000 2.117 418 R HA -0.138 4.201 4.340 -0.001 0.000 0.243 418 R C 2.010 178.252 176.300 -0.097 0.000 1.143 418 R CA 1.604 57.696 56.100 -0.012 0.000 0.968 418 R CB -0.352 29.966 30.300 0.031 0.000 0.863 418 R HN 0.378 nan 8.270 nan 0.000 0.444 419 L N 0.828 122.010 121.223 -0.068 0.000 2.591 419 L HA 0.156 4.496 4.340 -0.001 0.000 0.228 419 L C -0.131 176.702 176.870 -0.063 0.000 1.133 419 L CA -0.152 54.643 54.840 -0.074 0.000 0.880 419 L CB -0.242 41.782 42.059 -0.058 0.000 1.033 419 L HN 0.103 nan 8.230 nan 0.000 0.450 420 D N 0.274 120.633 120.400 -0.068 0.000 2.351 420 D HA 0.050 4.690 4.640 -0.001 0.000 0.251 420 D C -0.432 175.818 176.300 -0.083 0.000 1.137 420 D CA -0.077 53.893 54.000 -0.050 0.000 0.879 420 D CB 0.699 41.466 40.800 -0.055 0.000 1.181 420 D HN -0.103 nan 8.370 nan 0.000 0.448 421 F N 3.888 123.735 119.950 -0.173 0.000 2.494 421 F HA 0.155 4.681 4.527 -0.001 0.000 0.351 421 F C 0.108 175.799 175.800 -0.182 0.000 1.205 421 F CA -0.138 57.697 58.000 -0.276 0.000 1.125 421 F CB -0.223 38.582 39.000 -0.325 0.000 1.268 421 F HN 0.247 nan 8.300 nan 0.000 0.593 422 N N 7.402 125.800 118.700 -0.504 0.000 2.648 422 N HA 0.271 5.010 4.740 -0.001 0.000 0.261 422 N C -2.357 172.867 175.510 -0.476 0.000 1.138 422 N CA -1.772 51.060 53.050 -0.365 0.000 0.804 422 N CB 1.419 39.772 38.487 -0.224 0.000 1.237 422 N HN 0.183 nan 8.380 nan 0.000 0.532 423 P HA -0.023 nan 4.420 nan 0.000 0.228 423 P C 0.127 177.335 177.300 -0.154 0.000 1.151 423 P CA 0.811 63.751 63.100 -0.267 0.000 0.770 423 P CB 0.292 31.901 31.700 -0.151 0.000 0.786 424 D N -1.322 118.975 120.400 -0.172 0.000 2.349 424 D HA -0.017 4.623 4.640 -0.001 0.000 0.224 424 D C 1.871 178.060 176.300 -0.184 0.000 1.029 424 D CA 0.304 54.233 54.000 -0.118 0.000 0.879 424 D CB -0.343 40.410 40.800 -0.079 0.000 0.906 424 D HN 0.139 nan 8.370 nan 0.000 0.528 425 R N -0.212 120.068 120.500 -0.365 0.000 2.120 425 R HA -0.148 4.192 4.340 -0.001 0.000 0.234 425 R C 1.418 177.506 176.300 -0.353 0.000 1.123 425 R CA 1.070 56.932 56.100 -0.397 0.000 0.975 425 R CB -0.082 29.910 30.300 -0.512 0.000 0.866 425 R HN 0.297 nan 8.270 nan 0.000 0.446 426 Y N -0.257 120.008 120.300 -0.058 0.000 2.457 426 Y HA -0.037 4.513 4.550 -0.000 0.000 0.292 426 Y C 1.626 177.487 175.900 -0.065 0.000 1.125 426 Y CA 0.208 58.266 58.100 -0.069 0.000 1.254 426 Y CB 0.123 38.522 38.460 -0.102 0.000 1.012 426 Y HN 0.002 nan 8.280 nan 0.000 0.555 427 L N 0.363 121.609 121.223 0.038 0.000 2.645 427 L HA 0.017 4.356 4.340 -0.001 0.000 0.235 427 L C 0.621 177.480 176.870 -0.018 0.000 1.150 427 L CA 0.218 55.063 54.840 0.008 0.000 0.911 427 L CB -0.312 41.746 42.059 -0.002 0.000 1.077 427 L HN 0.334 nan 8.230 nan 0.000 0.438 428 Q N -1.057 118.724 119.800 -0.032 0.000 3.375 428 Q HA 0.340 4.679 4.340 -0.001 0.000 0.295 428 Q C -0.875 175.100 176.000 -0.041 0.000 0.996 428 Q CA -0.787 54.990 55.803 -0.042 0.000 0.801 428 Q CB 0.827 29.529 28.738 -0.059 0.000 2.066 428 Q HN -0.089 nan 8.270 nan 0.000 0.424 429 D N 1.977 122.343 120.400 -0.056 0.000 2.233 429 D HA 0.351 4.990 4.640 -0.001 0.000 0.240 429 D C -0.773 175.463 176.300 -0.107 0.000 1.074 429 D CA -0.085 53.874 54.000 -0.070 0.000 0.838 429 D CB 0.652 41.412 40.800 -0.066 0.000 1.124 429 D HN 0.398 nan 8.370 nan 0.000 0.475 430 N N 1.338 119.962 118.700 -0.128 0.000 2.396 430 N HA 0.334 5.074 4.740 -0.001 0.000 0.275 430 N C -2.782 172.552 175.510 -0.294 0.000 1.218 430 N CA -1.488 51.424 53.050 -0.230 0.000 0.812 430 N CB 1.992 40.429 38.487 -0.082 0.000 1.592 430 N HN -0.103 nan 8.380 nan 0.000 0.480 431 P HA 0.149 nan 4.420 nan 0.000 0.245 431 P C 1.022 178.207 177.300 -0.193 0.000 1.212 431 P CA 0.452 63.312 63.100 -0.399 0.000 0.774 431 P CB 0.084 31.436 31.700 -0.580 0.000 0.999 432 A N 0.743 123.503 122.820 -0.100 0.000 1.933 432 A HA -0.159 4.161 4.320 -0.001 0.000 0.218 432 A C 2.260 179.841 177.584 -0.004 0.000 1.175 432 A CA 2.384 54.468 52.037 0.079 0.000 0.628 432 A CB -1.132 17.878 19.000 0.016 0.000 0.814 432 A HN 0.374 nan 8.150 nan 0.000 0.444 433 S N -2.179 113.493 115.700 -0.048 0.000 2.506 433 S HA 0.253 4.722 4.470 -0.001 0.000 0.219 433 S C 1.888 176.441 174.600 -0.078 0.000 1.031 433 S CA 0.844 59.007 58.200 -0.061 0.000 0.911 433 S CB -0.405 62.762 63.200 -0.054 0.000 0.812 433 S HN 0.561 nan 8.310 nan 0.000 0.497 434 G N 1.127 109.868 108.800 -0.098 0.000 2.448 434 G HA2 0.152 4.112 3.960 -0.001 0.000 0.218 434 G HA3 0.152 4.112 3.960 -0.001 0.000 0.218 434 G C 0.404 175.240 174.900 -0.105 0.000 1.135 434 G CA 0.229 45.265 45.100 -0.106 0.000 0.784 434 G HN 0.586 nan 8.290 nan 0.000 0.543 435 E N -1.366 118.767 120.200 -0.113 0.000 2.393 435 E HA 0.343 4.693 4.350 -0.001 0.000 0.273 435 E C 0.073 176.583 176.600 -0.151 0.000 0.918 435 E CA -0.823 55.513 56.400 -0.107 0.000 0.773 435 E CB 2.152 31.804 29.700 -0.081 0.000 1.275 435 E HN -0.120 nan 8.360 nan 0.000 0.451 436 K N 0.619 120.868 120.400 -0.251 0.000 1.984 436 K HA 0.010 4.330 4.320 -0.001 0.000 0.209 436 K C 0.520 176.727 176.600 -0.654 0.000 1.046 436 K CA 1.428 57.353 56.287 -0.602 0.000 0.934 436 K CB 0.060 32.000 32.500 -0.934 0.000 0.717 436 K HN 0.383 nan 8.250 nan 0.000 0.438 437 F N -0.799 119.178 119.950 0.045 0.000 2.831 437 F HA 0.323 4.849 4.527 -0.001 0.000 0.355 437 F C 0.738 176.620 175.800 0.138 0.000 1.341 437 F CA -0.658 57.365 58.000 0.039 0.000 1.201 437 F CB 0.960 40.010 39.000 0.083 0.000 1.058 437 F HN -0.016 nan 8.300 nan 0.000 0.514 438 A N -0.530 122.449 122.820 0.265 0.000 2.035 438 A HA 0.077 4.396 4.320 -0.001 0.000 0.208 438 A C -0.233 177.657 177.584 0.510 0.000 1.206 438 A CA 0.441 52.681 52.037 0.340 0.000 0.773 438 A CB -0.029 19.086 19.000 0.190 0.000 0.878 438 A HN 0.389 nan 8.150 nan 0.000 0.469 439 Y N -0.460 120.034 120.300 0.324 0.000 2.356 439 Y HA 0.529 5.079 4.550 -0.001 0.000 0.334 439 Y C -0.225 175.788 175.900 0.189 0.000 0.958 439 Y CA -0.771 57.521 58.100 0.321 0.000 1.196 439 Y CB 1.761 40.446 38.460 0.375 0.000 1.137 439 Y HN -0.103 nan 8.280 nan 0.000 0.485 440 V N 9.879 129.649 119.914 -0.240 0.000 3.028 440 V HA 0.212 4.331 4.120 -0.001 0.000 0.418 440 V C -1.970 174.029 176.094 -0.157 0.000 1.433 440 V CA -0.798 61.432 62.300 -0.116 0.000 1.543 440 V CB 1.012 32.833 31.823 -0.003 0.000 1.329 440 V HN 0.747 nan 8.190 nan 0.000 0.646 441 P HA -0.006 nan 4.420 nan 0.000 0.226 441 P C 0.730 177.781 177.300 -0.415 0.000 1.153 441 P CA 1.115 63.966 63.100 -0.415 0.000 0.777 441 P CB 0.038 31.369 31.700 -0.616 0.000 0.794 442 F N -0.533 119.426 119.950 0.015 0.000 2.698 442 F HA 0.440 4.967 4.527 -0.001 0.000 0.304 442 F C 1.689 177.556 175.800 0.112 0.000 1.108 442 F CA 0.280 58.331 58.000 0.084 0.000 1.263 442 F CB 0.138 39.195 39.000 0.095 0.000 1.013 442 F HN 0.021 nan 8.300 nan 0.000 0.532 443 G N 1.390 110.328 108.800 0.231 0.000 2.562 443 G HA2 0.185 4.145 3.960 -0.001 0.000 0.250 443 G HA3 0.185 4.145 3.960 -0.001 0.000 0.250 443 G C -0.497 174.443 174.900 0.067 0.000 1.269 443 G CA -0.321 44.943 45.100 0.273 0.000 0.919 443 G HN 1.093 nan 8.290 nan 0.000 0.574 444 A N -2.288 120.621 122.820 0.148 0.000 2.549 444 A HA 1.028 5.347 4.320 -0.001 0.000 0.291 444 A C 1.132 178.883 177.584 0.279 0.000 1.034 444 A CA 1.334 53.424 52.037 0.088 0.000 0.655 444 A CB 0.516 19.404 19.000 -0.186 0.000 1.299 444 A HN 3.361 nan 8.150 nan 0.000 0.427 445 G N 0.382 109.311 108.800 0.214 0.000 2.645 445 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.246 445 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.246 445 G C 0.741 175.722 174.900 0.135 0.000 1.322 445 G CA 0.691 45.904 45.100 0.189 0.000 0.898 445 G HN 1.250 nan 8.290 nan 0.000 0.573 446 R N -0.917 119.620 120.500 0.062 0.000 2.140 446 R HA -0.175 4.165 4.340 -0.001 0.000 0.250 446 R C 1.813 178.033 176.300 -0.133 0.000 1.150 446 R CA 2.002 58.050 56.100 -0.087 0.000 0.966 446 R CB -0.351 29.821 30.300 -0.214 0.000 0.869 446 R HN 0.660 nan 8.270 nan 0.000 0.445 447 H N 0.001 119.174 119.070 0.172 0.000 2.524 447 H HA 0.054 4.609 4.556 -0.001 0.000 0.280 447 H C 0.462 175.918 175.328 0.213 0.000 1.018 447 H CA -0.131 56.047 56.048 0.216 0.000 1.165 447 H CB -0.120 29.818 29.762 0.293 0.000 1.411 447 H HN 0.170 nan 8.280 nan 0.000 0.569 448 R N 0.871 121.517 120.500 0.244 0.000 2.679 448 R HA 0.009 4.349 4.340 -0.001 0.000 0.268 448 R C 0.031 176.442 176.300 0.186 0.000 1.044 448 R CA -0.072 56.160 56.100 0.221 0.000 1.105 448 R CB 0.260 30.656 30.300 0.160 0.000 0.989 448 R HN 0.126 nan 8.270 nan 0.000 0.447 449 C N 3.943 123.381 119.300 0.230 0.000 2.745 449 C HA 0.167 4.627 4.460 -0.001 0.000 0.387 449 C C 1.870 176.927 174.990 0.113 0.000 1.312 449 C CA -0.142 59.008 59.018 0.219 0.000 2.204 449 C CB -0.619 27.352 27.740 0.384 0.000 2.686 449 C HN 0.920 nan 8.230 nan 0.000 0.705 450 I N 0.785 121.410 120.570 0.093 0.000 4.240 450 I HA 0.391 4.561 4.170 -0.001 0.000 0.331 450 I C 1.427 177.589 176.117 0.075 0.000 1.381 450 I CA 0.624 61.952 61.300 0.047 0.000 1.136 450 I CB -0.296 37.710 38.000 0.009 0.000 1.137 450 I HN 0.609 nan 8.210 nan 0.000 0.411 451 G N 0.956 109.828 108.800 0.119 0.000 3.042 451 G HA2 0.003 3.963 3.960 -0.001 0.000 0.212 451 G HA3 0.003 3.963 3.960 -0.001 0.000 0.212 451 G C 1.176 176.155 174.900 0.132 0.000 1.166 451 G CA 0.283 45.495 45.100 0.187 0.000 0.767 451 G HN 0.475 nan 8.290 nan 0.000 0.546 452 E N 1.348 121.463 120.200 -0.142 0.000 2.049 452 E HA -0.230 4.119 4.350 -0.001 0.000 0.198 452 E C 2.145 178.651 176.600 -0.157 0.000 1.007 452 E CA 1.544 57.620 56.400 -0.541 0.000 0.809 452 E CB -0.007 29.079 29.700 -1.024 0.000 0.749 452 E HN 0.299 nan 8.360 nan 0.000 0.450 453 N N 0.049 118.686 118.700 -0.105 0.000 2.084 453 N HA -0.182 4.557 4.740 -0.001 0.000 0.190 453 N C 1.690 177.020 175.510 -0.300 0.000 1.030 453 N CA 1.210 54.167 53.050 -0.154 0.000 0.849 453 N CB -0.679 37.786 38.487 -0.035 0.000 1.012 453 N HN 0.235 nan 8.380 nan 0.000 0.423 454 F N 1.674 121.457 119.950 -0.279 0.000 2.171 454 F HA -0.011 4.515 4.527 -0.001 0.000 0.300 454 F C 2.182 177.916 175.800 -0.109 0.000 1.090 454 F CA 1.184 59.037 58.000 -0.245 0.000 1.293 454 F CB -0.311 38.719 39.000 0.050 0.000 1.013 454 F HN 0.035 nan 8.300 nan 0.000 0.486 455 A N -0.991 121.782 122.820 -0.079 0.000 1.969 455 A HA -0.177 4.142 4.320 -0.001 0.000 0.218 455 A C 1.974 179.472 177.584 -0.144 0.000 1.169 455 A CA 1.398 53.378 52.037 -0.094 0.000 0.635 455 A CB -1.424 17.693 19.000 0.195 0.000 0.810 455 A HN 0.537 nan 8.150 nan 0.000 0.445 456 Y N -0.647 119.559 120.300 -0.155 0.000 2.314 456 Y HA -0.105 4.444 4.550 -0.001 0.000 0.293 456 Y C 2.518 178.298 175.900 -0.201 0.000 1.129 456 Y CA 1.439 59.461 58.100 -0.129 0.000 1.201 456 Y CB 0.007 38.392 38.460 -0.125 0.000 0.999 456 Y HN 0.121 nan 8.280 nan 0.000 0.541 457 V N -0.337 119.461 119.914 -0.195 0.000 2.379 457 V HA -0.301 3.819 4.120 -0.001 0.000 0.245 457 V C 2.235 178.167 176.094 -0.270 0.000 1.044 457 V CA 2.099 64.259 62.300 -0.233 0.000 1.036 457 V CB -0.534 31.108 31.823 -0.302 0.000 0.664 457 V HN 0.370 nan 8.190 nan 0.000 0.453 458 Q N -0.132 119.372 119.800 -0.494 0.000 2.020 458 Q HA -0.193 4.146 4.340 -0.001 0.000 0.202 458 Q C 2.193 178.063 176.000 -0.216 0.000 0.982 458 Q CA 2.189 57.730 55.803 -0.437 0.000 0.838 458 Q CB -0.193 28.151 28.738 -0.657 0.000 0.899 458 Q HN 0.625 nan 8.270 nan 0.000 0.423 459 I N 0.305 120.773 120.570 -0.170 0.000 2.252 459 I HA -0.258 3.911 4.170 -0.001 0.000 0.245 459 I C 2.499 178.641 176.117 0.043 0.000 1.102 459 I CA 1.144 62.423 61.300 -0.035 0.000 1.385 459 I CB -0.207 37.763 38.000 -0.050 0.000 1.064 459 I HN 0.180 nan 8.210 nan 0.000 0.414 460 K N 0.363 120.759 120.400 -0.007 0.000 2.026 460 K HA -0.162 4.158 4.320 -0.001 0.000 0.208 460 K C 2.088 178.713 176.600 0.042 0.000 1.048 460 K CA 1.962 58.273 56.287 0.041 0.000 0.929 460 K CB -0.073 32.440 32.500 0.022 0.000 0.713 460 K HN 0.240 nan 8.250 nan 0.000 0.439 461 T N 1.187 115.735 114.554 -0.011 0.000 2.777 461 T HA -0.079 4.270 4.350 -0.001 0.000 0.266 461 T C 1.807 176.489 174.700 -0.030 0.000 1.040 461 T CA 1.266 63.357 62.100 -0.015 0.000 1.141 461 T CB -0.132 68.719 68.868 -0.028 0.000 0.868 461 T HN 0.146 nan 8.240 nan 0.000 0.444 462 I N -0.808 119.720 120.570 -0.070 0.000 2.179 462 I HA -0.174 3.996 4.170 -0.001 0.000 0.242 462 I C 2.245 178.220 176.117 -0.236 0.000 1.088 462 I CA 1.497 62.697 61.300 -0.167 0.000 1.357 462 I CB -0.284 37.578 38.000 -0.230 0.000 1.051 462 I HN 0.330 nan 8.210 nan 0.000 0.409 463 W N 0.792 122.043 121.300 -0.082 0.000 2.402 463 W HA -0.137 4.522 4.660 -0.000 0.000 0.286 463 W C 2.870 179.370 176.519 -0.031 0.000 1.221 463 W CA 0.912 58.209 57.345 -0.080 0.000 1.257 463 W CB -0.201 29.212 29.460 -0.078 0.000 1.120 463 W HN -0.008 nan 8.180 nan 0.000 0.551 464 S N -0.286 115.519 115.700 0.174 0.000 2.348 464 S HA -0.203 4.267 4.470 -0.001 0.000 0.221 464 S C 1.697 176.344 174.600 0.078 0.000 1.033 464 S CA 2.059 60.333 58.200 0.124 0.000 1.010 464 S CB -0.997 62.245 63.200 0.070 0.000 0.891 464 S HN 0.234 nan 8.310 nan 0.000 0.442 465 T N 2.367 116.923 114.554 0.003 0.000 2.759 465 T HA -0.047 4.303 4.350 -0.001 0.000 0.269 465 T C 1.824 176.460 174.700 -0.106 0.000 1.042 465 T CA 1.274 63.346 62.100 -0.048 0.000 1.140 465 T CB -0.317 68.508 68.868 -0.070 0.000 0.864 465 T HN 0.279 nan 8.240 nan 0.000 0.455 466 M N 0.271 119.767 119.600 -0.174 0.000 2.132 466 M HA 0.077 4.557 4.480 -0.001 0.000 0.263 466 M C 2.109 178.492 176.300 0.138 0.000 1.065 466 M CA 1.371 56.520 55.300 -0.252 0.000 1.122 466 M CB -0.437 31.714 32.600 -0.748 0.000 1.365 466 M HN 0.174 nan 8.290 nan 0.000 0.411 467 L N -0.755 120.638 121.223 0.282 0.000 2.201 467 L HA -0.179 4.161 4.340 -0.001 0.000 0.212 467 L C 2.449 179.440 176.870 0.201 0.000 1.105 467 L CA 1.090 56.140 54.840 0.350 0.000 0.775 467 L CB -0.476 41.818 42.059 0.391 0.000 0.913 467 L HN 0.246 nan 8.230 nan 0.000 0.440 468 R N -0.354 120.233 120.500 0.146 0.000 2.093 468 R HA -0.034 4.306 4.340 -0.001 0.000 0.224 468 R C 2.218 178.477 176.300 -0.068 0.000 1.101 468 R CA 0.934 57.107 56.100 0.122 0.000 0.979 468 R CB -0.117 30.232 30.300 0.081 0.000 0.877 468 R HN 0.314 nan 8.270 nan 0.000 0.441 469 L N -1.140 119.956 121.223 -0.211 0.000 2.049 469 L HA -0.020 4.319 4.340 -0.001 0.000 0.203 469 L C 0.264 176.714 176.870 -0.701 0.000 1.074 469 L CA 1.034 55.541 54.840 -0.555 0.000 0.749 469 L CB -0.054 41.539 42.059 -0.778 0.000 0.907 469 L HN 0.088 nan 8.230 nan 0.000 0.439 470 Y N -1.294 118.880 120.300 -0.210 0.000 2.524 470 Y HA 0.320 4.869 4.550 -0.001 0.000 0.347 470 Y C -0.220 175.419 175.900 -0.436 0.000 1.005 470 Y CA -1.056 56.798 58.100 -0.410 0.000 1.025 470 Y CB 1.752 39.742 38.460 -0.783 0.000 1.275 470 Y HN -0.115 nan 8.280 nan 0.000 0.460 471 E N 2.377 122.461 120.200 -0.194 0.000 2.249 471 E HA 0.430 4.779 4.350 -0.001 0.000 0.280 471 E C -1.794 174.665 176.600 -0.235 0.000 1.016 471 E CA -0.362 55.966 56.400 -0.120 0.000 0.830 471 E CB 0.736 30.391 29.700 -0.076 0.000 1.081 471 E HN 0.459 nan 8.360 nan 0.000 0.395 472 F N 2.439 122.466 119.950 0.127 0.000 2.508 472 F HA 0.406 4.932 4.527 -0.001 0.000 0.325 472 F C -0.296 175.553 175.800 0.082 0.000 1.090 472 F CA -0.596 57.480 58.000 0.127 0.000 0.945 472 F CB 2.010 41.094 39.000 0.139 0.000 1.156 472 F HN 0.427 nan 8.300 nan 0.000 0.463 473 D N 1.164 121.718 120.400 0.255 0.000 2.661 473 D HA 0.495 5.134 4.640 -0.001 0.000 0.228 473 D C -1.018 175.393 176.300 0.186 0.000 1.183 473 D CA -0.598 53.507 54.000 0.175 0.000 0.844 473 D CB 2.053 42.919 40.800 0.111 0.000 1.555 473 D HN 0.245 nan 8.370 nan 0.000 0.453 474 L N 1.265 122.595 121.223 0.180 0.000 2.467 474 L HA 0.293 4.632 4.340 -0.001 0.000 0.270 474 L C 0.033 177.006 176.870 0.172 0.000 1.205 474 L CA -0.181 54.783 54.840 0.205 0.000 0.828 474 L CB 0.255 42.426 42.059 0.186 0.000 1.101 474 L HN 0.276 nan 8.230 nan 0.000 0.479 475 I N 2.744 123.431 120.570 0.195 0.000 2.301 475 I HA 0.071 4.240 4.170 -0.001 0.000 0.292 475 I C 0.180 176.380 176.117 0.138 0.000 1.046 475 I CA -0.012 61.374 61.300 0.143 0.000 1.282 475 I CB 0.511 38.589 38.000 0.130 0.000 1.409 475 I HN 0.681 nan 8.210 nan 0.000 0.484 476 D N 5.288 125.746 120.400 0.096 0.000 2.983 476 D HA -0.205 4.435 4.640 -0.001 0.000 0.225 476 D C 1.167 177.534 176.300 0.112 0.000 1.174 476 D CA 1.556 55.607 54.000 0.084 0.000 0.831 476 D CB -0.764 40.072 40.800 0.060 0.000 1.104 476 D HN 1.127 nan 8.370 nan 0.000 0.421 477 G N -0.364 108.516 108.800 0.133 0.000 2.159 477 G HA2 -0.386 3.573 3.960 -0.001 0.000 0.256 477 G HA3 -0.386 3.573 3.960 -0.001 0.000 0.256 477 G C 0.069 175.076 174.900 0.179 0.000 0.977 477 G CA 0.314 45.497 45.100 0.138 0.000 0.652 477 G HN 0.529 nan 8.290 nan 0.000 0.531 478 Y N 0.751 121.088 120.300 0.061 0.000 2.587 478 Y HA 0.530 5.079 4.550 -0.001 0.000 0.344 478 Y C 0.067 175.976 175.900 0.015 0.000 1.061 478 Y CA -1.610 56.508 58.100 0.030 0.000 1.370 478 Y CB -0.196 38.252 38.460 -0.020 0.000 1.163 478 Y HN 0.176 nan 8.280 nan 0.000 0.527 479 F N 9.656 129.239 119.950 -0.611 0.000 2.405 479 F HA 0.494 5.021 4.527 -0.000 0.000 0.355 479 F C -2.158 172.966 175.800 -1.127 0.000 1.121 479 F CA -2.745 54.833 58.000 -0.703 0.000 1.112 479 F CB 0.697 39.497 39.000 -0.333 0.000 1.126 479 F HN 0.471 nan 8.300 nan 0.000 0.481 480 P HA 0.098 nan 4.420 nan 0.000 0.266 480 P C -0.571 176.555 177.300 -0.290 0.000 1.195 480 P CA 0.001 62.451 63.100 -1.084 0.000 0.768 480 P CB 0.627 31.521 31.700 -1.344 0.000 0.838 481 T N -0.924 113.586 114.554 -0.073 0.000 2.880 481 T HA 0.486 4.835 4.350 -0.001 0.000 0.279 481 T C -0.004 174.757 174.700 0.102 0.000 0.990 481 T CA -0.785 61.361 62.100 0.075 0.000 0.938 481 T CB 0.391 69.299 68.868 0.066 0.000 1.206 481 T HN 0.044 nan 8.240 nan 0.000 0.573 482 V N 2.120 122.021 119.914 -0.023 0.000 2.394 482 V HA 0.375 4.495 4.120 -0.001 0.000 0.282 482 V C 0.270 176.123 176.094 -0.402 0.000 1.031 482 V CA -1.083 61.089 62.300 -0.215 0.000 0.881 482 V CB 1.081 32.590 31.823 -0.523 0.000 0.982 482 V HN 0.855 nan 8.190 nan 0.000 0.451 483 N N 3.027 121.553 118.700 -0.290 0.000 2.408 483 N HA 0.234 4.973 4.740 -0.001 0.000 0.257 483 N C -0.257 175.138 175.510 -0.191 0.000 1.064 483 N CA -0.000 52.935 53.050 -0.191 0.000 0.952 483 N CB 0.741 39.170 38.487 -0.096 0.000 1.093 483 N HN 0.684 nan 8.380 nan 0.000 0.490 484 Y N 0.976 121.328 120.300 0.088 0.000 2.458 484 Y HA 0.094 4.643 4.550 -0.001 0.000 0.256 484 Y C 1.754 177.716 175.900 0.104 0.000 1.159 484 Y CA -0.105 58.066 58.100 0.118 0.000 1.261 484 Y CB 0.738 39.200 38.460 0.003 0.000 1.119 484 Y HN 0.456 nan 8.280 nan 0.000 0.524 485 T N -0.897 113.768 114.554 0.185 0.000 3.113 485 T HA -0.034 4.315 4.350 -0.001 0.000 0.263 485 T C 0.767 175.589 174.700 0.202 0.000 1.143 485 T CA 1.019 63.204 62.100 0.142 0.000 1.090 485 T CB -0.384 68.533 68.868 0.082 0.000 0.922 485 T HN 0.269 nan 8.240 nan 0.000 0.521 486 T N -0.543 114.108 114.554 0.161 0.000 2.906 486 T HA 0.555 4.905 4.350 -0.001 0.000 0.295 486 T C 1.108 175.780 174.700 -0.046 0.000 1.061 486 T CA -1.096 61.065 62.100 0.101 0.000 1.000 486 T CB 1.805 70.693 68.868 0.034 0.000 1.103 486 T HN 0.043 nan 8.240 nan 0.000 0.486 487 M N 0.688 120.238 119.600 -0.084 0.000 2.476 487 M HA 0.244 4.724 4.480 -0.001 0.000 0.262 487 M C 0.393 176.439 176.300 -0.423 0.000 1.079 487 M CA 0.914 56.062 55.300 -0.254 0.000 1.104 487 M CB -0.835 31.757 32.600 -0.013 0.000 1.409 487 M HN 0.491 nan 8.290 nan 0.000 0.467 488 I N 2.902 123.313 120.570 -0.264 0.000 2.471 488 I HA -0.001 4.169 4.170 -0.001 0.000 0.294 488 I C -0.068 175.899 176.117 -0.251 0.000 1.123 488 I CA -0.102 61.045 61.300 -0.255 0.000 1.336 488 I CB -0.428 37.416 38.000 -0.260 0.000 1.430 488 I HN 0.141 nan 8.210 nan 0.000 0.533 489 H N 5.419 124.485 119.070 -0.007 0.000 3.004 489 H HA 0.176 4.731 4.556 -0.001 0.000 0.267 489 H C 0.537 175.830 175.328 -0.059 0.000 1.165 489 H CA -0.248 55.781 56.048 -0.032 0.000 1.450 489 H CB 0.153 29.920 29.762 0.008 0.000 1.488 489 H HN 0.544 nan 8.280 nan 0.000 0.478 490 T N 1.214 115.704 114.554 -0.108 0.000 2.943 490 T HA 0.405 4.754 4.350 -0.001 0.000 0.284 490 T C -2.736 171.765 174.700 -0.331 0.000 1.015 490 T CA -2.512 59.326 62.100 -0.437 0.000 1.042 490 T CB 1.952 70.481 68.868 -0.565 0.000 1.055 490 T HN 0.140 nan 8.240 nan 0.000 0.500 491 P HA 0.215 nan 4.420 nan 0.000 0.276 491 P C -0.264 176.765 177.300 -0.452 0.000 1.230 491 P CA -0.371 62.237 63.100 -0.820 0.000 0.776 491 P CB 0.340 31.138 31.700 -1.504 0.000 0.888 492 E N 3.198 123.241 120.200 -0.260 0.000 2.328 492 E HA -0.041 4.309 4.350 -0.001 0.000 0.265 492 E C 0.477 177.048 176.600 -0.050 0.000 1.057 492 E CA 0.177 56.514 56.400 -0.105 0.000 0.916 492 E CB -0.361 29.343 29.700 0.006 0.000 0.993 492 E HN 0.581 nan 8.360 nan 0.000 0.446 493 N N 3.244 121.917 118.700 -0.045 0.000 2.671 493 N HA -0.130 4.609 4.740 -0.001 0.000 0.261 493 N C -2.209 173.315 175.510 0.023 0.000 1.053 493 N CA -0.289 52.762 53.050 0.001 0.000 0.732 493 N CB -0.028 38.433 38.487 -0.042 0.000 0.887 493 N HN 0.164 nan 8.380 nan 0.000 0.546 494 P HA 0.192 nan 4.420 nan 0.000 0.231 494 P C -0.597 176.940 177.300 0.394 0.000 1.811 494 P CA -0.047 63.104 63.100 0.085 0.000 1.051 494 P CB 0.336 32.081 31.700 0.075 0.000 1.951 495 V N 4.468 124.596 119.914 0.357 0.000 2.417 495 V HA 0.374 4.494 4.120 -0.001 0.000 0.291 495 V C 0.533 176.858 176.094 0.384 0.000 1.024 495 V CA -0.741 61.735 62.300 0.293 0.000 0.861 495 V CB 1.391 33.304 31.823 0.151 0.000 0.985 495 V HN 0.187 nan 8.190 nan 0.000 0.436 496 I N 2.168 122.917 120.570 0.299 0.000 2.750 496 I HA 0.669 4.838 4.170 -0.001 0.000 0.308 496 I C 0.012 176.290 176.117 0.269 0.000 1.016 496 I CA -1.033 60.433 61.300 0.277 0.000 1.098 496 I CB 0.953 39.066 38.000 0.188 0.000 1.279 496 I HN 0.469 nan 8.210 nan 0.000 0.454 497 R N 2.308 122.938 120.500 0.218 0.000 2.457 497 R HA 0.557 4.897 4.340 -0.001 0.000 0.284 497 R C -1.668 174.732 176.300 0.166 0.000 1.024 497 R CA -0.564 55.601 56.100 0.108 0.000 1.025 497 R CB 1.004 31.322 30.300 0.029 0.000 1.063 497 R HN 0.850 nan 8.270 nan 0.000 0.493 498 Y N 0.048 120.275 120.300 -0.121 0.000 2.361 498 Y HA 0.471 5.020 4.550 -0.001 0.000 0.328 498 Y C -1.210 174.558 175.900 -0.219 0.000 1.044 498 Y CA -1.159 56.760 58.100 -0.302 0.000 1.085 498 Y CB 1.150 39.287 38.460 -0.538 0.000 1.194 498 Y HN 0.281 nan 8.280 nan 0.000 0.438 499 K N 2.717 123.059 120.400 -0.096 0.000 2.123 499 K HA 0.450 4.770 4.320 -0.001 0.000 0.259 499 K C -0.363 176.340 176.600 0.171 0.000 0.960 499 K CA -1.241 55.036 56.287 -0.017 0.000 0.872 499 K CB 1.356 33.833 32.500 -0.038 0.000 1.079 499 K HN 0.764 nan 8.250 nan 0.000 0.440 500 R N 2.278 122.903 120.500 0.208 0.000 2.623 500 R HA -0.003 4.337 4.340 -0.001 0.000 0.271 500 R C -0.016 176.270 176.300 -0.022 0.000 1.043 500 R CA 0.291 56.467 56.100 0.126 0.000 1.083 500 R CB 0.269 30.614 30.300 0.074 0.000 0.974 500 R HN 0.459 nan 8.270 nan 0.000 0.436 501 R N 0.000 120.428 120.500 -0.121 0.000 2.786 501 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 501 R CA 0.000 55.994 56.100 -0.177 0.000 0.921 501 R CB 0.000 30.143 30.300 -0.262 0.000 0.687 501 R HN 0.000 nan 8.270 nan 0.000 0.535