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 2r4l_1_B DATA FIRST_RESID 1 DATA SEQUENCE AGFQLNEFSS SGLGRAYSGE GAIADDAGNV SRNAALITMF DRPTFSAGAV DATA SEQUENCE YIDPDVNISG TSPSGRSLKA DNIAPTAWVP NMHFVAPIND QFGWGASITS DATA SEQUENCE NYGLATEFND TYAGGSVGGT TDLETMNLNL SGAYRLNNAW SFGLGFNAVY DATA SEQUENCE ARAKIERFAG DLGQLVAGQI MQSPAGQTQQ GQALAATANG IDSNTKTAHL DATA SEQUENCE NGNQWGFGWN AGILYELDKN NRYALTYRSE VKIDFKGNYS SDLNRAFNNY DATA SEQUENCE GLPIPTATGG ATQSGYLTLN LPEMWEVSGY NRVDPQWAIH YSLAYTSWSQ DATA SEQUENCE FQQLKATSTS GDTLFQKHEG FKDAYRIALG TTYYYDDNWT FRTGIAFDDS DATA SEQUENCE PVPAQNRSIS IPDQDRFWLS AGTTYAFNKD ASVDVGVSYM HGQSVKINEG DATA SEQUENCE PYQFESEGKA WLFGTNFNYA F VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.311 177.584 -0.455 0.000 1.274 1 A CA 0.000 51.869 52.037 -0.279 0.000 0.836 1 A CB 0.000 18.961 19.000 -0.065 0.000 0.831 2 G N 0.143 108.373 108.800 -0.951 0.000 2.679 2 G HA2 0.353 4.313 3.960 0.001 0.000 0.185 2 G HA3 0.353 4.313 3.960 0.001 0.000 0.185 2 G C 0.479 175.257 174.900 -0.203 0.000 1.656 2 G CA 0.996 45.585 45.100 -0.852 0.000 0.892 2 G HN 1.371 nan 8.290 nan 0.000 0.389 3 F N 0.242 120.215 119.950 0.038 0.000 2.983 3 F HA 0.547 5.074 4.527 0.001 0.000 0.307 3 F C 0.404 176.336 175.800 0.220 0.000 1.218 3 F CA -0.860 57.221 58.000 0.135 0.000 1.323 3 F CB -0.039 39.038 39.000 0.129 0.000 0.989 3 F HN 0.076 nan 8.300 nan 0.000 0.509 4 Q N 2.294 122.158 119.800 0.108 0.000 2.243 4 Q HA 0.609 4.949 4.340 0.001 0.000 0.252 4 Q C -1.161 174.752 176.000 -0.146 0.000 0.909 4 Q CA -0.595 55.108 55.803 -0.166 0.000 0.922 4 Q CB 1.672 30.393 28.738 -0.028 0.000 1.215 4 Q HN 0.620 nan 8.270 nan 0.000 0.427 5 L N 3.231 124.299 121.223 -0.258 0.000 2.365 5 L HA 0.435 4.776 4.340 0.001 0.000 0.273 5 L C -0.221 176.531 176.870 -0.196 0.000 1.000 5 L CA -0.575 54.179 54.840 -0.143 0.000 0.819 5 L CB 1.710 43.711 42.059 -0.096 0.000 1.284 5 L HN 0.678 nan 8.230 nan 0.000 0.418 6 N N 0.427 119.019 118.700 -0.180 0.000 2.328 6 N HA 0.104 4.844 4.740 0.001 0.000 0.247 6 N C -0.778 174.434 175.510 -0.496 0.000 1.165 6 N CA -0.206 52.627 53.050 -0.362 0.000 0.873 6 N CB 0.498 38.671 38.487 -0.523 0.000 1.125 6 N HN 0.512 nan 8.380 nan 0.000 0.513 7 E N 0.521 120.623 120.200 -0.164 0.000 1.964 7 E HA 0.084 4.435 4.350 0.001 0.000 0.264 7 E C -0.170 176.490 176.600 0.100 0.000 1.120 7 E CA -0.297 56.091 56.400 -0.021 0.000 1.061 7 E CB -0.357 29.372 29.700 0.048 0.000 1.190 7 E HN 0.501 nan 8.360 nan 0.000 0.459 8 F N -1.396 118.553 119.950 -0.002 0.000 2.682 8 F HA 0.451 4.978 4.527 0.001 0.000 0.308 8 F C 1.287 177.241 175.800 0.257 0.000 1.093 8 F CA -0.343 57.726 58.000 0.117 0.000 1.244 8 F CB 0.638 39.684 39.000 0.076 0.000 1.052 8 F HN 0.200 nan 8.300 nan 0.000 0.573 9 S N -0.882 114.422 115.700 -0.660 0.000 2.761 9 S HA 0.101 4.571 4.470 0.001 0.000 0.273 9 S C 1.297 175.764 174.600 -0.223 0.000 1.073 9 S CA 0.822 58.687 58.200 -0.558 0.000 1.048 9 S CB -0.285 62.264 63.200 -1.085 0.000 0.955 9 S HN 0.665 nan 8.310 nan 0.000 0.500 10 S N 1.176 116.821 115.700 -0.091 0.000 1.891 10 S HA -0.333 4.138 4.470 0.001 0.000 0.224 10 S C 1.685 176.197 174.600 -0.148 0.000 0.993 10 S CA 3.058 61.227 58.200 -0.052 0.000 1.595 10 S CB -2.685 60.497 63.200 -0.029 0.000 2.103 10 S HN 1.391 nan 8.310 nan 0.000 0.555 11 S N 2.033 117.621 115.700 -0.186 0.000 2.348 11 S HA 0.136 4.606 4.470 0.001 0.000 0.221 11 S C 2.282 176.734 174.600 -0.247 0.000 1.033 11 S CA 1.856 59.941 58.200 -0.192 0.000 1.010 11 S CB -1.731 61.358 63.200 -0.184 0.000 0.891 11 S HN 1.792 nan 8.310 nan 0.000 0.442 12 G N 1.260 109.860 108.800 -0.333 0.000 2.509 12 G HA2 -0.033 3.928 3.960 0.001 0.000 0.218 12 G HA3 -0.033 3.928 3.960 0.001 0.000 0.218 12 G C 1.318 175.691 174.900 -0.878 0.000 1.124 12 G CA 0.757 45.598 45.100 -0.432 0.000 0.776 12 G HN 0.505 nan 8.290 nan 0.000 0.547 13 L N 1.766 122.470 121.223 -0.865 0.000 2.187 13 L HA 0.060 4.400 4.340 0.001 0.000 0.213 13 L C 2.593 179.238 176.870 -0.375 0.000 1.100 13 L CA 2.011 56.367 54.840 -0.808 0.000 0.765 13 L CB -0.858 41.112 42.059 -0.149 0.000 0.904 13 L HN 0.129 nan 8.230 nan 0.000 0.437 14 G N -0.117 108.530 108.800 -0.255 0.000 2.422 14 G HA2 -0.233 3.728 3.960 0.001 0.000 0.218 14 G HA3 -0.233 3.728 3.960 0.001 0.000 0.218 14 G C 1.301 176.171 174.900 -0.049 0.000 1.140 14 G CA 0.588 45.628 45.100 -0.100 0.000 0.775 14 G HN 0.595 nan 8.290 nan 0.000 0.545 15 R N -0.128 120.315 120.500 -0.095 0.000 2.586 15 R HA 0.596 4.936 4.340 0.001 0.000 0.306 15 R C 1.092 177.407 176.300 0.024 0.000 1.079 15 R CA 0.326 56.449 56.100 0.038 0.000 1.083 15 R CB -0.133 30.247 30.300 0.132 0.000 1.306 15 R HN 0.282 nan 8.270 nan 0.000 0.567 16 A N 1.270 124.091 122.820 0.002 0.000 2.798 16 A HA -0.297 4.023 4.320 0.001 0.000 0.282 16 A C -0.194 177.393 177.584 0.006 0.000 1.464 16 A CA 1.119 53.247 52.037 0.151 0.000 0.844 16 A CB -2.411 16.687 19.000 0.164 0.000 1.006 16 A HN 0.728 nan 8.150 nan 0.000 0.577 17 Y N -1.931 118.407 120.300 0.063 0.000 3.027 17 Y HA -0.208 4.343 4.550 0.001 0.000 0.195 17 Y C 0.856 176.768 175.900 0.021 0.000 1.381 17 Y CA 1.050 59.183 58.100 0.055 0.000 1.015 17 Y CB -2.195 36.276 38.460 0.017 0.000 1.329 17 Y HN 1.408 nan 8.280 nan 0.000 0.462 18 S N -1.003 114.793 115.700 0.160 0.000 2.509 18 S HA 0.693 5.163 4.470 0.001 0.000 0.297 18 S C 1.076 175.785 174.600 0.181 0.000 1.118 18 S CA -0.315 57.992 58.200 0.179 0.000 1.074 18 S CB 2.082 65.412 63.200 0.217 0.000 1.038 18 S HN 1.532 nan 8.310 nan 0.000 0.498 19 G N 1.104 109.996 108.800 0.152 0.000 2.180 19 G HA2 -0.242 3.719 3.960 0.001 0.000 0.263 19 G HA3 -0.242 3.719 3.960 0.001 0.000 0.263 19 G C 0.004 174.945 174.900 0.069 0.000 0.989 19 G CA 0.384 45.537 45.100 0.089 0.000 0.692 19 G HN 0.824 nan 8.290 nan 0.000 0.526 20 E N -0.045 120.216 120.200 0.103 0.000 2.459 20 E HA 0.350 4.701 4.350 0.001 0.000 0.264 20 E C 1.383 178.013 176.600 0.050 0.000 1.055 20 E CA 0.974 57.446 56.400 0.119 0.000 0.957 20 E CB -0.098 29.706 29.700 0.173 0.000 0.952 20 E HN 1.526 nan 8.360 nan 0.000 0.448 21 G N 0.735 109.558 108.800 0.038 0.000 2.221 21 G HA2 -0.131 3.830 3.960 0.001 0.000 0.265 21 G HA3 -0.131 3.830 3.960 0.001 0.000 0.265 21 G C 0.546 175.459 174.900 0.022 0.000 1.041 21 G CA 0.810 45.920 45.100 0.017 0.000 0.807 21 G HN 0.789 nan 8.290 nan 0.000 0.502 22 A N -1.542 121.280 122.820 0.003 0.000 2.604 22 A HA 0.566 4.886 4.320 0.001 0.000 0.157 22 A C 0.367 177.892 177.584 -0.097 0.000 1.680 22 A CA 0.743 52.753 52.037 -0.044 0.000 1.227 22 A CB 0.313 19.289 19.000 -0.040 0.000 1.493 22 A HN 1.338 nan 8.150 nan 0.000 0.453 23 I N 0.686 121.236 120.570 -0.032 0.000 2.377 23 I HA 0.680 4.850 4.170 0.001 0.000 0.293 23 I C -0.231 175.848 176.117 -0.063 0.000 0.987 23 I CA -0.627 60.643 61.300 -0.052 0.000 1.185 23 I CB 1.839 39.874 38.000 0.058 0.000 1.341 23 I HN 0.203 nan 8.210 nan 0.000 0.455 24 A N 4.938 127.671 122.820 -0.145 0.000 3.410 24 A HA 0.312 4.632 4.320 0.001 0.000 0.276 24 A C -0.166 177.300 177.584 -0.195 0.000 0.995 24 A CA -0.452 51.522 52.037 -0.104 0.000 0.934 24 A CB -0.112 18.812 19.000 -0.127 0.000 1.191 24 A HN 0.740 nan 8.150 nan 0.000 0.511 25 D N 0.949 121.289 120.400 -0.101 0.000 2.289 25 D HA 0.018 4.659 4.640 0.001 0.000 0.207 25 D C 0.548 176.793 176.300 -0.092 0.000 0.966 25 D CA 1.400 55.342 54.000 -0.096 0.000 0.868 25 D CB 0.561 41.340 40.800 -0.035 0.000 0.943 25 D HN 0.751 nan 8.370 nan 0.000 0.514 26 D N -1.627 118.766 120.400 -0.011 0.000 2.781 26 D HA 0.381 5.021 4.640 0.001 0.000 0.295 26 D C 0.092 176.597 176.300 0.341 0.000 1.143 26 D CA -0.712 53.342 54.000 0.090 0.000 1.076 26 D CB 1.038 41.848 40.800 0.016 0.000 1.444 26 D HN -0.158 nan 8.370 nan 0.000 0.567 27 A N -0.655 122.336 122.820 0.284 0.000 2.275 27 A HA 0.359 4.680 4.320 0.001 0.000 0.212 27 A C 1.723 179.201 177.584 -0.177 0.000 1.201 27 A CA 0.789 52.861 52.037 0.057 0.000 0.843 27 A CB -0.793 18.125 19.000 -0.136 0.000 0.873 27 A HN 0.612 nan 8.150 nan 0.000 0.492 28 G N 0.331 108.995 108.800 -0.228 0.000 2.498 28 G HA2 -0.197 3.764 3.960 0.001 0.000 0.219 28 G HA3 -0.197 3.764 3.960 0.001 0.000 0.219 28 G C 0.992 175.701 174.900 -0.318 0.000 1.119 28 G CA 1.031 45.740 45.100 -0.652 0.000 0.766 28 G HN 0.600 nan 8.290 nan 0.000 0.552 29 N N -0.354 118.347 118.700 0.002 0.000 2.280 29 N HA 0.080 4.820 4.740 0.001 0.000 0.192 29 N C 2.098 177.643 175.510 0.058 0.000 1.109 29 N CA 0.530 53.679 53.050 0.165 0.000 0.855 29 N CB 0.666 39.259 38.487 0.176 0.000 0.974 29 N HN 0.262 nan 8.380 nan 0.000 0.482 30 V N -1.932 117.976 119.914 -0.009 0.000 2.871 30 V HA -0.078 4.043 4.120 0.001 0.000 0.256 30 V C 2.092 178.195 176.094 0.016 0.000 1.082 30 V CA 1.509 63.797 62.300 -0.019 0.000 1.105 30 V CB -0.795 30.955 31.823 -0.122 0.000 0.713 30 V HN 0.296 nan 8.190 nan 0.000 0.473 31 S N -0.238 115.505 115.700 0.070 0.000 2.447 31 S HA -0.103 4.368 4.470 0.001 0.000 0.233 31 S C 2.117 176.677 174.600 -0.067 0.000 1.006 31 S CA 0.965 59.219 58.200 0.091 0.000 0.957 31 S CB -0.429 62.947 63.200 0.293 0.000 0.773 31 S HN 0.558 nan 8.310 nan 0.000 0.507 32 R N 1.474 121.880 120.500 -0.156 0.000 2.146 32 R HA 0.290 4.630 4.340 0.001 0.000 0.206 32 R C -0.167 176.059 176.300 -0.122 0.000 1.049 32 R CA 0.600 56.532 56.100 -0.280 0.000 1.029 32 R CB -0.434 29.587 30.300 -0.464 0.000 0.949 32 R HN 0.522 nan 8.270 nan 0.000 0.471 33 N N -0.309 118.363 118.700 -0.045 0.000 2.558 33 N HA 0.164 4.905 4.740 0.001 0.000 0.285 33 N C -0.587 174.948 175.510 0.043 0.000 1.112 33 N CA -0.004 53.054 53.050 0.013 0.000 0.857 33 N CB 1.743 40.246 38.487 0.026 0.000 1.376 33 N HN 0.008 nan 8.380 nan 0.000 0.526 34 A N 2.479 125.341 122.820 0.070 0.000 2.255 34 A HA 0.248 4.568 4.320 0.001 0.000 0.206 34 A C 1.651 179.299 177.584 0.107 0.000 1.193 34 A CA 1.139 53.230 52.037 0.091 0.000 0.794 34 A CB -0.395 18.684 19.000 0.132 0.000 0.794 34 A HN 0.691 nan 8.150 nan 0.000 0.481 35 A N -0.352 122.526 122.820 0.097 0.000 2.030 35 A HA 0.181 4.502 4.320 0.001 0.000 0.215 35 A C 1.793 179.414 177.584 0.062 0.000 1.164 35 A CA 0.603 52.688 52.037 0.081 0.000 0.697 35 A CB -0.365 18.668 19.000 0.054 0.000 0.827 35 A HN 0.460 nan 8.150 nan 0.000 0.457 36 L N 0.037 121.302 121.223 0.070 0.000 2.447 36 L HA -0.139 4.201 4.340 0.001 0.000 0.225 36 L C 1.871 178.863 176.870 0.203 0.000 1.148 36 L CA 0.612 55.519 54.840 0.112 0.000 0.808 36 L CB -0.659 41.481 42.059 0.135 0.000 0.928 36 L HN 0.391 nan 8.230 nan 0.000 0.448 37 I N 0.262 120.892 120.570 0.099 0.000 2.700 37 I HA -0.229 3.941 4.170 0.001 0.000 0.261 37 I C 2.420 178.629 176.117 0.153 0.000 1.219 37 I CA 1.693 63.022 61.300 0.048 0.000 1.463 37 I CB -0.444 37.548 38.000 -0.014 0.000 1.092 37 I HN 0.432 nan 8.210 nan 0.000 0.452 38 T N -2.631 111.997 114.554 0.123 0.000 3.129 38 T HA 0.043 4.394 4.350 0.001 0.000 0.251 38 T C 1.289 176.019 174.700 0.050 0.000 1.117 38 T CA 0.060 62.201 62.100 0.068 0.000 1.034 38 T CB 0.044 68.908 68.868 -0.007 0.000 0.968 38 T HN 0.037 nan 8.240 nan 0.000 0.526 39 M N 1.079 120.737 119.600 0.095 0.000 2.494 39 M HA 0.467 4.948 4.480 0.001 0.000 0.232 39 M C -1.076 175.029 176.300 -0.325 0.000 1.137 39 M CA -0.832 54.398 55.300 -0.117 0.000 1.012 39 M CB -0.441 32.047 32.600 -0.188 0.000 1.567 39 M HN 0.183 nan 8.290 nan 0.000 0.486 40 F N -0.868 119.034 119.950 -0.079 0.000 2.444 40 F HA 0.284 4.812 4.527 0.001 0.000 0.342 40 F C 1.039 176.807 175.800 -0.053 0.000 1.121 40 F CA -0.931 57.024 58.000 -0.075 0.000 0.997 40 F CB 0.999 39.938 39.000 -0.101 0.000 1.130 40 F HN -0.066 nan 8.300 nan 0.000 0.454 41 D N 1.344 121.757 120.400 0.022 0.000 2.289 41 D HA 0.046 4.687 4.640 0.001 0.000 0.207 41 D C 0.532 176.876 176.300 0.073 0.000 0.966 41 D CA 0.927 54.943 54.000 0.027 0.000 0.868 41 D CB 0.365 41.155 40.800 -0.017 0.000 0.943 41 D HN 0.558 nan 8.370 nan 0.000 0.514 42 R N -1.512 119.056 120.500 0.112 0.000 2.781 42 R HA 0.567 4.908 4.340 0.001 0.000 0.268 42 R C -3.036 173.367 176.300 0.172 0.000 1.047 42 R CA -1.778 54.403 56.100 0.136 0.000 0.925 42 R CB -0.017 30.360 30.300 0.129 0.000 1.246 42 R HN -0.343 nan 8.270 nan 0.000 0.456 43 P HA 0.126 nan 4.420 nan 0.000 0.267 43 P C -1.038 176.512 177.300 0.416 0.000 1.209 43 P CA 0.295 63.568 63.100 0.288 0.000 0.763 43 P CB 0.844 32.899 31.700 0.592 0.000 0.816 44 T N 3.634 118.341 114.554 0.256 0.000 2.876 44 T HA 0.612 4.963 4.350 0.001 0.000 0.289 44 T C -1.045 173.947 174.700 0.487 0.000 1.014 44 T CA -0.280 62.020 62.100 0.333 0.000 0.986 44 T CB 0.902 69.980 68.868 0.350 0.000 1.021 44 T HN 0.175 nan 8.240 nan 0.000 0.458 45 F N 1.041 121.178 119.950 0.311 0.000 2.611 45 F HA 0.794 5.321 4.527 0.001 0.000 0.324 45 F C -0.484 175.471 175.800 0.257 0.000 1.061 45 F CA -0.366 57.849 58.000 0.357 0.000 0.954 45 F CB 2.059 41.273 39.000 0.357 0.000 1.301 45 F HN 0.575 nan 8.300 nan 0.000 0.482 46 S N 2.265 117.599 115.700 -0.611 0.000 2.556 46 S HA 0.845 5.315 4.470 0.001 0.000 0.280 46 S C -1.791 172.509 174.600 -0.500 0.000 1.141 46 S CA 0.038 58.068 58.200 -0.283 0.000 0.883 46 S CB 1.193 64.390 63.200 -0.004 0.000 1.103 46 S HN 1.478 nan 8.310 nan 0.000 0.453 47 A N 1.751 124.500 122.820 -0.118 0.000 2.608 47 A HA 1.002 5.322 4.320 0.001 0.000 0.292 47 A C -0.019 177.669 177.584 0.173 0.000 1.066 47 A CA -0.024 52.012 52.037 -0.003 0.000 0.676 47 A CB 0.884 19.918 19.000 0.056 0.000 1.277 47 A HN 2.026 nan 8.150 nan 0.000 0.413 48 G N -1.231 107.669 108.800 0.167 0.000 2.323 48 G HA2 0.814 4.775 3.960 0.001 0.000 0.291 48 G HA3 0.814 4.775 3.960 0.001 0.000 0.291 48 G C -0.819 174.192 174.900 0.184 0.000 1.278 48 G CA 0.405 45.625 45.100 0.200 0.000 0.860 48 G HN 2.374 nan 8.290 nan 0.000 0.504 49 A N -1.610 121.313 122.820 0.172 0.000 2.594 49 A HA 0.880 5.200 4.320 0.001 0.000 0.291 49 A C -1.522 176.074 177.584 0.019 0.000 1.105 49 A CA -0.538 51.596 52.037 0.161 0.000 0.694 49 A CB 1.996 21.219 19.000 0.371 0.000 1.291 49 A HN 1.744 nan 8.150 nan 0.000 0.410 50 V N 1.403 121.301 119.914 -0.027 0.000 2.447 50 V HA 0.275 4.395 4.120 0.001 0.000 0.292 50 V C -1.312 174.686 176.094 -0.160 0.000 1.021 50 V CA -0.367 61.893 62.300 -0.066 0.000 0.850 50 V CB 1.202 33.031 31.823 0.010 0.000 1.005 50 V HN 0.810 nan 8.190 nan 0.000 0.426 51 Y N 5.959 126.016 120.300 -0.407 0.000 2.436 51 Y HA 0.509 5.059 4.550 0.001 0.000 0.336 51 Y C 0.049 175.843 175.900 -0.177 0.000 1.049 51 Y CA -0.481 57.347 58.100 -0.453 0.000 1.294 51 Y CB 0.728 38.950 38.460 -0.397 0.000 1.179 51 Y HN 0.530 nan 8.280 nan 0.000 0.520 52 I N 6.577 126.885 120.570 -0.436 0.000 2.359 52 I HA 0.139 4.309 4.170 0.001 0.000 0.284 52 I C -0.731 175.113 176.117 -0.454 0.000 1.018 52 I CA -0.513 60.584 61.300 -0.338 0.000 1.173 52 I CB 0.941 38.811 38.000 -0.217 0.000 1.326 52 I HN 0.525 nan 8.210 nan 0.000 0.462 53 D N 9.417 129.636 120.400 -0.302 0.000 2.485 53 D HA 0.374 5.014 4.640 0.001 0.000 0.229 53 D C -2.509 173.764 176.300 -0.046 0.000 1.101 53 D CA -1.968 51.928 54.000 -0.172 0.000 0.906 53 D CB 1.367 42.224 40.800 0.095 0.000 1.019 53 D HN 0.117 nan 8.370 nan 0.000 0.516 54 P HA 0.319 nan 4.420 nan 0.000 0.289 54 P C -0.881 176.409 177.300 -0.016 0.000 1.299 54 P CA -0.425 62.636 63.100 -0.064 0.000 0.766 54 P CB 0.816 32.461 31.700 -0.093 0.000 1.226 55 D N -0.207 120.176 120.400 -0.029 0.000 2.362 55 D HA 0.231 4.871 4.640 0.001 0.000 0.232 55 D C -1.823 174.447 176.300 -0.050 0.000 1.329 55 D CA 0.050 54.042 54.000 -0.014 0.000 0.944 55 D CB 0.862 41.691 40.800 0.047 0.000 1.471 55 D HN -0.088 nan 8.370 nan 0.000 0.533 56 V N 2.908 122.775 119.914 -0.078 0.000 2.680 56 V HA 0.628 4.748 4.120 0.001 0.000 0.309 56 V C -0.364 175.664 176.094 -0.110 0.000 1.052 56 V CA -0.635 61.609 62.300 -0.094 0.000 0.908 56 V CB 2.244 34.000 31.823 -0.111 0.000 1.001 56 V HN 0.430 nan 8.190 nan 0.000 0.431 57 N N 3.119 121.769 118.700 -0.083 0.000 2.324 57 N HA 0.634 5.374 4.740 0.001 0.000 0.285 57 N C -1.648 173.849 175.510 -0.022 0.000 1.076 57 N CA -0.648 52.356 53.050 -0.075 0.000 0.864 57 N CB 1.981 40.445 38.487 -0.039 0.000 1.632 57 N HN 0.385 nan 8.380 nan 0.000 0.478 58 I N 1.291 121.860 120.570 -0.002 0.000 2.404 58 I HA 0.538 4.708 4.170 0.001 0.000 0.293 58 I C 0.039 176.266 176.117 0.184 0.000 0.992 58 I CA -0.768 60.613 61.300 0.134 0.000 1.149 58 I CB 0.863 39.008 38.000 0.241 0.000 1.315 58 I HN 0.641 nan 8.210 nan 0.000 0.446 59 S N 3.324 119.141 115.700 0.195 0.000 2.599 59 S HA 1.023 5.494 4.470 0.001 0.000 0.287 59 S C -0.242 174.449 174.600 0.152 0.000 1.105 59 S CA -0.567 57.727 58.200 0.155 0.000 0.899 59 S CB 2.787 66.043 63.200 0.092 0.000 1.100 59 S HN 1.336 nan 8.310 nan 0.000 0.482 60 G N 0.411 109.261 108.800 0.083 0.000 2.347 60 G HA2 0.401 4.362 3.960 0.001 0.000 0.321 60 G HA3 0.401 4.362 3.960 0.001 0.000 0.321 60 G C -1.134 173.733 174.900 -0.055 0.000 1.412 60 G CA -0.593 44.508 45.100 0.002 0.000 0.990 60 G HN 0.912 nan 8.290 nan 0.000 0.637 61 T N -0.106 114.393 114.554 -0.092 0.000 2.918 61 T HA 0.759 5.109 4.350 0.001 0.000 0.286 61 T C 0.254 174.874 174.700 -0.134 0.000 1.026 61 T CA -0.033 62.010 62.100 -0.094 0.000 1.031 61 T CB 1.689 70.527 68.868 -0.051 0.000 1.046 61 T HN 1.078 nan 8.240 nan 0.000 0.479 62 S N 0.680 116.315 115.700 -0.108 0.000 2.593 62 S HA 0.428 4.899 4.470 0.001 0.000 0.297 62 S C -1.851 172.755 174.600 0.009 0.000 1.112 62 S CA -1.964 56.217 58.200 -0.032 0.000 1.043 62 S CB 0.925 64.107 63.200 -0.031 0.000 1.054 62 S HN 0.328 nan 8.310 nan 0.000 0.516 63 P HA -0.065 nan 4.420 nan 0.000 0.223 63 P C 1.050 178.356 177.300 0.009 0.000 1.144 63 P CA 0.985 64.090 63.100 0.009 0.000 0.783 63 P CB -0.045 31.650 31.700 -0.008 0.000 0.771 64 S N -2.279 113.437 115.700 0.026 0.000 2.607 64 S HA 0.197 4.667 4.470 0.001 0.000 0.224 64 S C 1.796 176.394 174.600 -0.002 0.000 0.969 64 S CA 0.516 58.725 58.200 0.015 0.000 0.927 64 S CB -1.213 62.004 63.200 0.029 0.000 0.772 64 S HN 0.286 nan 8.310 nan 0.000 0.533 65 G N 1.397 110.191 108.800 -0.010 0.000 2.245 65 G HA2 -0.312 3.648 3.960 0.001 0.000 0.264 65 G HA3 -0.312 3.648 3.960 0.001 0.000 0.264 65 G C 0.226 175.110 174.900 -0.028 0.000 0.985 65 G CA 0.174 45.264 45.100 -0.017 0.000 0.625 65 G HN 0.610 nan 8.290 nan 0.000 0.536 66 R N 0.796 121.273 120.500 -0.038 0.000 2.539 66 R HA 0.527 4.868 4.340 0.001 0.000 0.275 66 R C 0.842 177.087 176.300 -0.092 0.000 1.077 66 R CA 0.366 56.430 56.100 -0.060 0.000 1.097 66 R CB 0.994 31.252 30.300 -0.071 0.000 1.018 66 R HN 0.237 nan 8.270 nan 0.000 0.483 67 S N 1.510 117.164 115.700 -0.077 0.000 2.579 67 S HA 0.121 4.591 4.470 0.001 0.000 0.275 67 S C 0.588 175.114 174.600 -0.124 0.000 1.345 67 S CA -0.403 57.758 58.200 -0.064 0.000 1.031 67 S CB 0.370 63.565 63.200 -0.009 0.000 0.892 67 S HN 0.517 nan 8.310 nan 0.000 0.529 68 L N 3.041 124.235 121.223 -0.048 0.000 3.202 68 L HA 0.350 4.690 4.340 0.001 0.000 0.278 68 L C 0.576 177.705 176.870 0.432 0.000 1.268 68 L CA -0.226 54.642 54.840 0.046 0.000 1.034 68 L CB 0.040 42.060 42.059 -0.066 0.000 1.407 68 L HN 0.604 nan 8.230 nan 0.000 0.581 69 K N 2.260 122.827 120.400 0.279 0.000 2.379 69 K HA 0.468 4.789 4.320 0.001 0.000 0.284 69 K C -0.291 176.460 176.600 0.252 0.000 1.044 69 K CA 0.000 56.420 56.287 0.222 0.000 0.974 69 K CB 1.001 33.571 32.500 0.115 0.000 0.962 69 K HN 0.171 nan 8.250 nan 0.000 0.474 70 A N 4.967 127.857 122.820 0.116 0.000 2.545 70 A HA 0.220 4.540 4.320 0.001 0.000 0.300 70 A C -1.314 176.166 177.584 -0.173 0.000 1.252 70 A CA -0.877 51.098 52.037 -0.103 0.000 0.753 70 A CB 0.632 19.387 19.000 -0.410 0.000 1.144 70 A HN 0.765 nan 8.150 nan 0.000 0.457 71 D N 1.468 121.799 120.400 -0.115 0.000 2.382 71 D HA 0.095 4.735 4.640 0.001 0.000 0.245 71 D C 0.667 176.871 176.300 -0.160 0.000 1.120 71 D CA 0.989 54.927 54.000 -0.104 0.000 0.890 71 D CB 0.315 41.082 40.800 -0.055 0.000 1.201 71 D HN 0.709 nan 8.370 nan 0.000 0.433 72 N N 1.949 120.568 118.700 -0.135 0.000 2.601 72 N HA -0.222 4.519 4.740 0.001 0.000 0.298 72 N C 0.599 175.977 175.510 -0.220 0.000 1.227 72 N CA -0.012 52.955 53.050 -0.138 0.000 0.732 72 N CB -0.381 38.055 38.487 -0.085 0.000 0.964 72 N HN 0.496 nan 8.380 nan 0.000 0.549 73 I N -0.649 119.745 120.570 -0.293 0.000 4.018 73 I HA 0.411 4.582 4.170 0.001 0.000 0.337 73 I C 0.381 176.351 176.117 -0.245 0.000 1.327 73 I CA -0.187 60.864 61.300 -0.416 0.000 1.100 73 I CB 0.748 38.258 38.000 -0.816 0.000 1.025 73 I HN 0.288 nan 8.210 nan 0.000 0.396 74 A N 2.468 125.192 122.820 -0.160 0.000 2.360 74 A HA 0.751 5.071 4.320 0.001 0.000 0.309 74 A C -2.561 174.972 177.584 -0.086 0.000 1.311 74 A CA -1.372 50.603 52.037 -0.103 0.000 0.805 74 A CB 0.067 19.012 19.000 -0.091 0.000 1.144 74 A HN 0.040 nan 8.150 nan 0.000 0.486 75 P HA 0.203 nan 4.420 nan 0.000 0.278 75 P C 0.636 177.895 177.300 -0.068 0.000 1.270 75 P CA 0.057 63.127 63.100 -0.049 0.000 0.800 75 P CB 0.397 32.083 31.700 -0.023 0.000 1.142 76 T N -2.752 111.766 114.554 -0.061 0.000 2.874 76 T HA 0.713 5.063 4.350 0.001 0.000 0.281 76 T C -0.385 174.268 174.700 -0.079 0.000 0.994 76 T CA -0.632 61.368 62.100 -0.167 0.000 1.015 76 T CB 0.852 69.605 68.868 -0.192 0.000 1.028 76 T HN 0.541 nan 8.240 nan 0.000 0.523 77 A N 0.327 123.058 122.820 -0.149 0.000 2.566 77 A HA 0.536 4.856 4.320 0.001 0.000 0.297 77 A C -2.087 175.548 177.584 0.085 0.000 1.059 77 A CA -1.082 50.983 52.037 0.047 0.000 0.691 77 A CB 0.868 19.875 19.000 0.011 0.000 1.282 77 A HN 0.798 nan 8.150 nan 0.000 0.401 78 W N 2.121 123.464 121.300 0.073 0.000 2.288 78 W HA 0.511 5.172 4.660 0.001 0.000 0.325 78 W C -0.389 176.179 176.519 0.081 0.000 1.019 78 W CA -0.321 57.100 57.345 0.126 0.000 1.403 78 W CB 1.762 31.311 29.460 0.148 0.000 1.226 78 W HN 0.410 nan 8.180 nan 0.000 0.391 79 V N 7.439 127.447 119.914 0.158 0.000 2.304 79 V HA 0.215 4.335 4.120 0.001 0.000 0.262 79 V C -1.386 174.787 176.094 0.131 0.000 1.061 79 V CA -1.780 60.590 62.300 0.118 0.000 0.872 79 V CB -0.162 31.693 31.823 0.054 0.000 1.077 79 V HN 0.256 nan 8.190 nan 0.000 0.480 80 P HA 0.333 nan 4.420 nan 0.000 0.275 80 P C -0.954 176.398 177.300 0.086 0.000 1.266 80 P CA -0.394 62.797 63.100 0.152 0.000 0.793 80 P CB 1.133 32.933 31.700 0.166 0.000 1.074 81 N N -1.033 117.701 118.700 0.058 0.000 2.647 81 N HA 0.492 5.232 4.740 0.001 0.000 0.259 81 N C -1.663 173.776 175.510 -0.119 0.000 1.098 81 N CA -0.624 52.403 53.050 -0.038 0.000 0.984 81 N CB 1.152 39.667 38.487 0.046 0.000 1.683 81 N HN 0.409 nan 8.380 nan 0.000 0.501 82 M N 1.679 121.082 119.600 -0.329 0.000 2.386 82 M HA 0.504 4.985 4.480 0.001 0.000 0.293 82 M C -1.929 174.047 176.300 -0.540 0.000 1.120 82 M CA -0.291 54.814 55.300 -0.324 0.000 0.909 82 M CB 1.577 34.101 32.600 -0.127 0.000 1.661 82 M HN 0.926 nan 8.290 nan 0.000 0.452 83 H N 2.479 121.430 119.070 -0.197 0.000 2.961 83 H HA 0.711 5.268 4.556 0.001 0.000 0.371 83 H C -1.962 173.358 175.328 -0.013 0.000 1.190 83 H CA -0.461 55.540 56.048 -0.079 0.000 1.138 83 H CB 2.119 31.840 29.762 -0.068 0.000 1.816 83 H HN 0.563 nan 8.280 nan 0.000 0.551 84 F N 1.649 121.591 119.950 -0.013 0.000 2.591 84 F HA 0.693 5.220 4.527 0.001 0.000 0.309 84 F C -1.768 173.853 175.800 -0.298 0.000 1.098 84 F CA -0.866 57.097 58.000 -0.063 0.000 0.937 84 F CB 1.611 40.614 39.000 0.006 0.000 1.250 84 F HN 0.355 nan 8.300 nan 0.000 0.447 85 V N 3.645 122.846 119.914 -1.188 0.000 2.777 85 V HA 0.924 5.045 4.120 0.001 0.000 0.306 85 V C -1.069 174.251 176.094 -1.289 0.000 1.112 85 V CA -0.564 60.999 62.300 -1.229 0.000 0.917 85 V CB 1.327 32.389 31.823 -1.269 0.000 1.018 85 V HN 1.158 nan 8.190 nan 0.000 0.426 86 A N 5.661 127.829 122.820 -1.087 0.000 2.540 86 A HA 0.968 5.288 4.320 0.001 0.000 0.297 86 A C -3.262 174.187 177.584 -0.225 0.000 1.056 86 A CA -1.342 50.358 52.037 -0.563 0.000 0.700 86 A CB 2.203 20.913 19.000 -0.483 0.000 1.280 86 A HN 0.577 nan 8.150 nan 0.000 0.398 87 P HA 0.577 nan 4.420 nan 0.000 0.286 87 P C 0.316 177.753 177.300 0.230 0.000 1.293 87 P CA -0.285 62.888 63.100 0.122 0.000 0.770 87 P CB 0.700 32.469 31.700 0.115 0.000 1.206 88 I N -2.135 118.580 120.570 0.243 0.000 3.990 88 I HA 0.196 4.367 4.170 0.001 0.000 0.275 88 I C 0.427 176.660 176.117 0.193 0.000 1.157 88 I CA 0.267 61.714 61.300 0.245 0.000 1.338 88 I CB 0.405 38.578 38.000 0.288 0.000 1.588 88 I HN 0.432 nan 8.210 nan 0.000 0.441 89 N N 0.038 118.865 118.700 0.211 0.000 2.745 89 N HA 0.013 4.754 4.740 0.001 0.000 0.256 89 N C -0.920 174.686 175.510 0.159 0.000 1.268 89 N CA -0.257 52.898 53.050 0.175 0.000 0.887 89 N CB 1.564 40.168 38.487 0.194 0.000 1.575 89 N HN -0.167 nan 8.380 nan 0.000 0.496 90 D N 0.673 121.137 120.400 0.107 0.000 2.382 90 D HA -0.245 4.396 4.640 0.001 0.000 0.194 90 D C 1.100 177.417 176.300 0.028 0.000 1.026 90 D CA 1.913 55.951 54.000 0.062 0.000 0.913 90 D CB 0.156 40.984 40.800 0.047 0.000 0.894 90 D HN 0.560 nan 8.370 nan 0.000 0.453 91 Q N -1.652 118.180 119.800 0.053 0.000 2.396 91 Q HA 0.164 4.504 4.340 0.001 0.000 0.220 91 Q C 0.104 175.995 176.000 -0.182 0.000 0.900 91 Q CA 0.249 55.984 55.803 -0.113 0.000 0.925 91 Q CB 0.707 29.378 28.738 -0.111 0.000 1.065 91 Q HN 0.301 nan 8.270 nan 0.000 0.535 92 F N -0.365 119.664 119.950 0.132 0.000 2.522 92 F HA 0.640 5.168 4.527 0.001 0.000 0.324 92 F C 0.432 176.335 175.800 0.172 0.000 1.077 92 F CA -0.790 57.324 58.000 0.190 0.000 0.944 92 F CB 2.350 41.480 39.000 0.216 0.000 1.175 92 F HN -0.176 nan 8.300 nan 0.000 0.468 93 G N 2.053 111.095 108.800 0.404 0.000 2.759 93 G HA2 0.445 4.406 3.960 0.001 0.000 0.297 93 G HA3 0.445 4.406 3.960 0.001 0.000 0.297 93 G C -1.900 173.198 174.900 0.331 0.000 1.434 93 G CA -0.818 44.465 45.100 0.304 0.000 0.980 93 G HN 0.698 nan 8.290 nan 0.000 0.531 94 W N 1.041 122.393 121.300 0.087 0.000 3.139 94 W HA 0.899 5.560 4.660 0.001 0.000 0.399 94 W C -0.015 176.501 176.519 -0.004 0.000 1.484 94 W CA -1.089 56.302 57.345 0.076 0.000 1.287 94 W CB 1.035 30.553 29.460 0.098 0.000 1.948 94 W HN 1.477 nan 8.180 nan 0.000 0.668 95 G N -0.550 108.198 108.800 -0.086 0.000 2.404 95 G HA2 0.598 4.559 3.960 0.001 0.000 0.298 95 G HA3 0.598 4.559 3.960 0.001 0.000 0.298 95 G C -2.346 172.577 174.900 0.039 0.000 1.577 95 G CA -0.115 44.704 45.100 -0.469 0.000 0.847 95 G HN 1.053 nan 8.290 nan 0.000 0.598 96 A N -0.126 122.720 122.820 0.043 0.000 2.569 96 A HA 1.073 5.393 4.320 0.001 0.000 0.290 96 A C -0.014 177.670 177.584 0.167 0.000 1.136 96 A CA 0.180 52.355 52.037 0.229 0.000 0.710 96 A CB 1.776 21.020 19.000 0.406 0.000 1.303 96 A HN 2.441 nan 8.150 nan 0.000 0.413 97 S N -0.980 114.805 115.700 0.142 0.000 2.615 97 S HA 0.675 5.146 4.470 0.001 0.000 0.268 97 S C -1.382 173.228 174.600 0.016 0.000 1.146 97 S CA -0.614 57.609 58.200 0.038 0.000 0.818 97 S CB 0.519 63.729 63.200 0.016 0.000 1.111 97 S HN 0.824 nan 8.310 nan 0.000 0.465 98 I N 1.803 122.329 120.570 -0.074 0.000 2.447 98 I HA 0.698 4.869 4.170 0.001 0.000 0.287 98 I C -0.203 175.870 176.117 -0.073 0.000 1.023 98 I CA -0.274 61.011 61.300 -0.024 0.000 1.083 98 I CB 2.025 40.031 38.000 0.010 0.000 1.245 98 I HN 1.045 nan 8.210 nan 0.000 0.434 99 T N 1.168 115.713 114.554 -0.015 0.000 2.762 99 T HA 0.505 4.855 4.350 0.001 0.000 0.301 99 T C -1.049 173.661 174.700 0.018 0.000 1.299 99 T CA -0.816 61.288 62.100 0.007 0.000 1.005 99 T CB 1.994 70.896 68.868 0.056 0.000 1.377 99 T HN 0.372 nan 8.240 nan 0.000 0.504 100 S N 0.137 115.850 115.700 0.021 0.000 2.659 100 S HA 0.457 4.927 4.470 0.001 0.000 0.312 100 S C 0.027 174.602 174.600 -0.041 0.000 1.114 100 S CA -0.777 57.425 58.200 0.004 0.000 1.063 100 S CB 0.667 63.876 63.200 0.015 0.000 0.996 100 S HN 0.637 nan 8.310 nan 0.000 0.478 101 N N 2.681 121.338 118.700 -0.072 0.000 2.388 101 N HA 0.153 4.894 4.740 0.001 0.000 0.176 101 N C -1.012 174.122 175.510 -0.627 0.000 1.062 101 N CA 0.717 53.585 53.050 -0.304 0.000 0.895 101 N CB 0.224 38.553 38.487 -0.264 0.000 1.018 101 N HN 0.603 nan 8.380 nan 0.000 0.456 102 Y N -0.476 119.821 120.300 -0.004 0.000 2.406 102 Y HA 0.635 5.185 4.550 0.001 0.000 0.340 102 Y C 0.401 176.370 175.900 0.114 0.000 0.975 102 Y CA -1.029 57.120 58.100 0.081 0.000 1.056 102 Y CB 2.489 41.004 38.460 0.093 0.000 1.210 102 Y HN -0.126 nan 8.280 nan 0.000 0.448 103 G N 2.639 111.609 108.800 0.283 0.000 2.750 103 G HA2 0.506 4.467 3.960 0.001 0.000 0.298 103 G HA3 0.506 4.467 3.960 0.001 0.000 0.298 103 G C -2.667 172.327 174.900 0.157 0.000 1.412 103 G CA -0.567 44.632 45.100 0.164 0.000 1.078 103 G HN 0.526 nan 8.290 nan 0.000 0.573 104 L N 1.400 122.654 121.223 0.051 0.000 2.354 104 L HA 0.976 5.316 4.340 0.001 0.000 0.264 104 L C -0.197 176.656 176.870 -0.029 0.000 1.008 104 L CA -0.602 54.242 54.840 0.007 0.000 0.819 104 L CB 2.386 44.368 42.059 -0.129 0.000 1.339 104 L HN 1.330 nan 8.230 nan 0.000 0.420 105 A N 2.142 124.951 122.820 -0.020 0.000 3.124 105 A HA 0.574 4.894 4.320 0.001 0.000 0.295 105 A C -0.782 176.790 177.584 -0.019 0.000 1.199 105 A CA -0.307 51.716 52.037 -0.023 0.000 0.845 105 A CB 0.310 19.298 19.000 -0.021 0.000 1.381 105 A HN 0.534 nan 8.150 nan 0.000 0.537 106 T N 1.504 116.059 114.554 0.000 0.000 2.842 106 T HA 0.375 4.725 4.350 0.001 0.000 0.308 106 T C -0.562 174.187 174.700 0.081 0.000 1.041 106 T CA -0.079 62.038 62.100 0.029 0.000 0.964 106 T CB 0.836 69.754 68.868 0.085 0.000 0.972 106 T HN 0.592 nan 8.240 nan 0.000 0.460 107 E N 3.829 124.041 120.200 0.020 0.000 2.145 107 E HA 0.401 4.751 4.350 0.001 0.000 0.262 107 E C -0.725 175.865 176.600 -0.016 0.000 0.883 107 E CA -0.462 55.969 56.400 0.052 0.000 0.748 107 E CB 0.684 30.390 29.700 0.009 0.000 1.140 107 E HN 0.326 nan 8.360 nan 0.000 0.417 108 F N 1.671 121.546 119.950 -0.124 0.000 2.190 108 F HA 0.264 4.792 4.527 0.001 0.000 0.286 108 F C 1.238 176.939 175.800 -0.165 0.000 1.025 108 F CA -0.451 57.423 58.000 -0.209 0.000 1.135 108 F CB 0.382 39.183 39.000 -0.332 0.000 1.748 108 F HN 0.350 nan 8.300 nan 0.000 0.542 109 N N 0.410 119.134 118.700 0.039 0.000 2.399 109 N HA 0.089 4.830 4.740 0.001 0.000 0.295 109 N C -0.117 175.295 175.510 -0.163 0.000 1.048 109 N CA -0.225 52.798 53.050 -0.045 0.000 0.886 109 N CB 1.536 40.017 38.487 -0.010 0.000 1.185 109 N HN 0.453 nan 8.380 nan 0.000 0.487 110 D N 0.619 120.823 120.400 -0.327 0.000 2.239 110 D HA -0.155 4.485 4.640 0.001 0.000 0.202 110 D C 1.444 177.483 176.300 -0.435 0.000 0.993 110 D CA 1.714 55.303 54.000 -0.685 0.000 0.874 110 D CB 0.228 40.762 40.800 -0.444 0.000 0.922 110 D HN 0.683 nan 8.370 nan 0.000 0.464 111 T N -3.385 111.069 114.554 -0.167 0.000 3.060 111 T HA -0.018 4.332 4.350 0.001 0.000 0.249 111 T C 0.807 175.521 174.700 0.024 0.000 1.079 111 T CA -0.538 61.523 62.100 -0.064 0.000 1.013 111 T CB -0.506 68.344 68.868 -0.029 0.000 0.975 111 T HN 0.048 nan 8.240 nan 0.000 0.518 112 Y N 2.698 122.953 120.300 -0.075 0.000 2.944 112 Y HA 0.222 4.772 4.550 0.001 0.000 0.340 112 Y C 1.655 177.544 175.900 -0.017 0.000 1.275 112 Y CA -0.455 57.641 58.100 -0.007 0.000 1.590 112 Y CB 0.159 38.659 38.460 0.067 0.000 1.218 112 Y HN 0.241 nan 8.280 nan 0.000 0.576 113 A N 4.400 126.932 122.820 -0.480 0.000 2.024 113 A HA -0.109 4.212 4.320 0.001 0.000 0.220 113 A C 1.966 179.268 177.584 -0.471 0.000 1.164 113 A CA 1.678 53.470 52.037 -0.409 0.000 0.643 113 A CB -0.916 17.845 19.000 -0.398 0.000 0.806 113 A HN 1.054 nan 8.150 nan 0.000 0.451 114 G N -1.580 106.685 108.800 -0.891 0.000 3.605 114 G HA2 0.362 4.322 3.960 0.001 0.000 0.277 114 G HA3 0.362 4.322 3.960 0.001 0.000 0.277 114 G C 1.090 176.070 174.900 0.133 0.000 1.093 114 G CA 0.750 45.489 45.100 -0.601 0.000 0.821 114 G HN 0.607 nan 8.290 nan 0.000 0.532 115 G N 1.663 110.617 108.800 0.257 0.000 2.657 115 G HA2 -0.338 3.622 3.960 0.001 0.000 0.224 115 G HA3 -0.338 3.622 3.960 0.001 0.000 0.224 115 G C 2.113 177.169 174.900 0.259 0.000 1.086 115 G CA 1.863 47.137 45.100 0.289 0.000 0.730 115 G HN 0.696 nan 8.290 nan 0.000 0.602 116 S N 0.351 116.219 115.700 0.279 0.000 2.383 116 S HA -0.144 4.326 4.470 0.001 0.000 0.229 116 S C 2.165 176.889 174.600 0.206 0.000 1.030 116 S CA 1.792 60.143 58.200 0.252 0.000 1.002 116 S CB -0.604 62.761 63.200 0.276 0.000 0.829 116 S HN 0.844 nan 8.310 nan 0.000 0.467 117 V N -2.197 117.836 119.914 0.200 0.000 3.647 117 V HA 0.676 4.797 4.120 0.001 0.000 0.279 117 V C 0.783 176.779 176.094 -0.163 0.000 1.314 117 V CA -0.015 62.328 62.300 0.071 0.000 1.125 117 V CB -0.328 31.582 31.823 0.144 0.000 0.907 117 V HN 0.636 nan 8.190 nan 0.000 0.434 118 G N -0.752 107.891 108.800 -0.261 0.000 3.747 118 G HA2 0.522 4.482 3.960 0.001 0.000 0.289 118 G HA3 0.522 4.482 3.960 0.001 0.000 0.289 118 G C 0.019 174.621 174.900 -0.496 0.000 3.650 118 G CA 0.206 44.952 45.100 -0.590 0.000 0.560 118 G HN 0.545 nan 8.290 nan 0.000 0.267 119 G N 0.384 109.173 108.800 -0.019 0.000 2.756 119 G HA2 0.534 4.495 3.960 0.001 0.000 0.203 119 G HA3 0.534 4.495 3.960 0.001 0.000 0.203 119 G C 0.125 175.164 174.900 0.232 0.000 2.015 119 G CA 0.284 45.537 45.100 0.254 0.000 0.835 119 G HN 0.571 nan 8.290 nan 0.000 0.648 120 T N 0.750 115.448 114.554 0.240 0.000 2.823 120 T HA 0.619 4.970 4.350 0.001 0.000 0.279 120 T C -0.994 173.735 174.700 0.049 0.000 0.998 120 T CA -0.101 62.088 62.100 0.148 0.000 0.994 120 T CB 1.700 70.663 68.868 0.160 0.000 0.960 120 T HN 0.299 nan 8.240 nan 0.000 0.448 121 T N 2.954 117.523 114.554 0.024 0.000 3.170 121 T HA 0.462 4.813 4.350 0.001 0.000 0.315 121 T C -1.482 173.184 174.700 -0.057 0.000 0.967 121 T CA -0.879 61.199 62.100 -0.037 0.000 1.024 121 T CB 1.011 69.864 68.868 -0.026 0.000 1.018 121 T HN 0.428 nan 8.240 nan 0.000 0.449 122 D N 2.242 122.587 120.400 -0.093 0.000 2.649 122 D HA 0.655 5.295 4.640 0.001 0.000 0.249 122 D C -1.072 175.147 176.300 -0.135 0.000 1.112 122 D CA -0.522 53.423 54.000 -0.091 0.000 0.850 122 D CB 2.072 42.832 40.800 -0.067 0.000 1.399 122 D HN 0.357 nan 8.370 nan 0.000 0.503 123 L N 1.433 122.585 121.223 -0.118 0.000 2.504 123 L HA 0.419 4.760 4.340 0.001 0.000 0.265 123 L C -1.225 175.611 176.870 -0.056 0.000 0.975 123 L CA -0.279 54.489 54.840 -0.118 0.000 0.864 123 L CB 1.407 43.356 42.059 -0.182 0.000 1.212 123 L HN 0.310 nan 8.230 nan 0.000 0.416 124 E N 2.732 122.887 120.200 -0.075 0.000 2.191 124 E HA 0.701 5.052 4.350 0.001 0.000 0.274 124 E C -0.890 175.646 176.600 -0.107 0.000 0.948 124 E CA -0.796 55.560 56.400 -0.074 0.000 0.802 124 E CB 2.064 31.705 29.700 -0.097 0.000 1.137 124 E HN 0.526 nan 8.360 nan 0.000 0.397 125 T N 2.335 116.847 114.554 -0.070 0.000 2.971 125 T HA 0.367 4.718 4.350 0.001 0.000 0.304 125 T C -1.240 173.418 174.700 -0.070 0.000 1.038 125 T CA -0.615 61.432 62.100 -0.089 0.000 1.007 125 T CB 1.001 69.882 68.868 0.020 0.000 1.055 125 T HN 0.377 nan 8.240 nan 0.000 0.451 126 M N 4.530 124.063 119.600 -0.111 0.000 2.134 126 M HA 0.472 4.952 4.480 0.001 0.000 0.310 126 M C -0.902 175.373 176.300 -0.042 0.000 0.966 126 M CA -0.666 54.608 55.300 -0.043 0.000 0.922 126 M CB 0.855 33.454 32.600 -0.000 0.000 1.537 126 M HN 0.434 nan 8.290 nan 0.000 0.424 127 N N 6.948 125.645 118.700 -0.006 0.000 2.817 127 N HA 0.259 5.000 4.740 0.001 0.000 0.234 127 N C -1.477 174.051 175.510 0.030 0.000 1.066 127 N CA -0.231 52.816 53.050 -0.004 0.000 0.926 127 N CB 0.497 38.977 38.487 -0.011 0.000 1.176 127 N HN 0.813 nan 8.380 nan 0.000 0.506 128 L N 2.856 124.126 121.223 0.079 0.000 2.485 128 L HA 0.130 4.470 4.340 0.001 0.000 0.279 128 L C 0.601 177.513 176.870 0.069 0.000 1.124 128 L CA -0.246 54.664 54.840 0.117 0.000 0.888 128 L CB -0.281 41.908 42.059 0.218 0.000 1.217 128 L HN 0.477 nan 8.230 nan 0.000 0.464 129 N N 4.128 122.876 118.700 0.079 0.000 2.430 129 N HA 0.752 5.492 4.740 0.001 0.000 0.298 129 N C -1.359 174.259 175.510 0.178 0.000 1.130 129 N CA -0.612 52.490 53.050 0.086 0.000 0.894 129 N CB 1.719 40.248 38.487 0.069 0.000 1.209 129 N HN 0.451 nan 8.380 nan 0.000 0.503 130 L N 1.787 123.153 121.223 0.238 0.000 2.562 130 L HA 0.589 4.929 4.340 0.001 0.000 0.266 130 L C -1.439 175.633 176.870 0.336 0.000 0.949 130 L CA -0.057 54.979 54.840 0.328 0.000 0.879 130 L CB 1.267 43.558 42.059 0.388 0.000 1.278 130 L HN 0.904 nan 8.230 nan 0.000 0.404 131 S N 2.310 118.201 115.700 0.317 0.000 2.656 131 S HA 0.998 5.469 4.470 0.001 0.000 0.273 131 S C -0.606 174.180 174.600 0.310 0.000 1.168 131 S CA -0.291 58.086 58.200 0.294 0.000 0.817 131 S CB 1.750 65.094 63.200 0.239 0.000 1.146 131 S HN 0.854 nan 8.310 nan 0.000 0.475 132 G N -0.811 108.166 108.800 0.295 0.000 2.680 132 G HA2 0.892 4.852 3.960 0.001 0.000 0.290 132 G HA3 0.892 4.852 3.960 0.001 0.000 0.290 132 G C -1.123 173.959 174.900 0.304 0.000 1.355 132 G CA -0.508 44.785 45.100 0.323 0.000 0.903 132 G HN 1.345 nan 8.290 nan 0.000 0.474 133 A N -0.739 122.277 122.820 0.325 0.000 2.566 133 A HA 0.860 5.181 4.320 0.001 0.000 0.292 133 A C -2.004 175.767 177.584 0.312 0.000 1.112 133 A CA -0.705 51.511 52.037 0.297 0.000 0.707 133 A CB 1.778 20.893 19.000 0.191 0.000 1.302 133 A HN 1.547 nan 8.150 nan 0.000 0.409 134 Y N 0.171 120.517 120.300 0.078 0.000 2.524 134 Y HA 0.693 5.243 4.550 0.001 0.000 0.347 134 Y C -0.322 175.559 175.900 -0.032 0.000 1.005 134 Y CA -0.668 57.327 58.100 -0.176 0.000 1.025 134 Y CB 1.678 40.002 38.460 -0.226 0.000 1.275 134 Y HN 0.796 nan 8.280 nan 0.000 0.460 135 R N 6.594 126.532 120.500 -0.937 0.000 2.310 135 R HA 0.277 4.618 4.340 0.001 0.000 0.316 135 R C -0.363 175.489 176.300 -0.747 0.000 1.004 135 R CA -0.552 55.199 56.100 -0.583 0.000 0.900 135 R CB 1.063 31.164 30.300 -0.331 0.000 1.152 135 R HN 0.933 nan 8.270 nan 0.000 0.513 136 L N 4.307 125.384 121.223 -0.245 0.000 2.012 136 L HA -0.086 4.255 4.340 0.001 0.000 0.210 136 L C 0.070 176.960 176.870 0.033 0.000 1.073 136 L CA 2.276 57.160 54.840 0.072 0.000 0.748 136 L CB -0.370 41.923 42.059 0.391 0.000 0.891 136 L HN 0.930 nan 8.230 nan 0.000 0.431 137 N N -3.794 114.943 118.700 0.062 0.000 3.588 137 N HA 0.059 4.799 4.740 0.001 0.000 0.340 137 N C -0.216 175.307 175.510 0.020 0.000 1.609 137 N CA -0.078 53.005 53.050 0.055 0.000 0.811 137 N CB -0.107 38.460 38.487 0.133 0.000 2.184 137 N HN 0.012 nan 8.380 nan 0.000 0.577 138 N N -0.336 118.375 118.700 0.019 0.000 2.571 138 N HA -0.018 4.723 4.740 0.001 0.000 0.189 138 N C 0.898 176.382 175.510 -0.044 0.000 1.154 138 N CA 0.743 53.779 53.050 -0.024 0.000 0.907 138 N CB 0.169 38.642 38.487 -0.024 0.000 0.977 138 N HN 0.511 nan 8.380 nan 0.000 0.449 139 A N 0.444 123.270 122.820 0.010 0.000 1.997 139 A HA 0.283 4.603 4.320 0.001 0.000 0.214 139 A C 0.132 177.636 177.584 -0.133 0.000 1.458 139 A CA 0.031 52.023 52.037 -0.075 0.000 0.692 139 A CB -0.381 18.623 19.000 0.006 0.000 1.145 139 A HN 0.245 nan 8.150 nan 0.000 0.515 140 W N -0.047 121.288 121.300 0.059 0.000 2.497 140 W HA 0.666 5.326 4.660 0.001 0.000 0.359 140 W C -0.328 176.025 176.519 -0.277 0.000 1.131 140 W CA -0.245 57.036 57.345 -0.107 0.000 1.280 140 W CB 0.814 30.178 29.460 -0.159 0.000 1.319 140 W HN 0.225 nan 8.180 nan 0.000 0.626 141 S N 0.510 116.041 115.700 -0.282 0.000 2.543 141 S HA 0.674 5.145 4.470 0.001 0.000 0.273 141 S C -1.569 172.683 174.600 -0.581 0.000 1.152 141 S CA -1.011 57.006 58.200 -0.304 0.000 0.910 141 S CB 0.913 64.038 63.200 -0.125 0.000 1.105 141 S HN 0.222 nan 8.310 nan 0.000 0.465 142 F N 0.663 120.740 119.950 0.212 0.000 2.532 142 F HA 0.823 5.350 4.527 0.001 0.000 0.321 142 F C 0.747 176.672 175.800 0.209 0.000 1.089 142 F CA -0.541 57.590 58.000 0.220 0.000 0.926 142 F CB 2.376 41.508 39.000 0.220 0.000 1.168 142 F HN 0.858 nan 8.300 nan 0.000 0.459 143 G N 2.439 111.448 108.800 0.347 0.000 2.643 143 G HA2 0.651 4.612 3.960 0.001 0.000 0.305 143 G HA3 0.651 4.612 3.960 0.001 0.000 0.305 143 G C -2.401 172.676 174.900 0.296 0.000 1.387 143 G CA -0.625 44.647 45.100 0.286 0.000 0.982 143 G HN 0.486 nan 8.290 nan 0.000 0.501 144 L N 1.768 123.166 121.223 0.292 0.000 2.362 144 L HA 0.888 5.229 4.340 0.001 0.000 0.275 144 L C 0.314 177.364 176.870 0.300 0.000 0.998 144 L CA -0.425 54.602 54.840 0.311 0.000 0.820 144 L CB 2.055 44.281 42.059 0.278 0.000 1.270 144 L HN 0.718 nan 8.230 nan 0.000 0.415 145 G N 2.808 111.804 108.800 0.327 0.000 2.591 145 G HA2 0.475 4.435 3.960 0.001 0.000 0.306 145 G HA3 0.475 4.435 3.960 0.001 0.000 0.306 145 G C -1.899 173.234 174.900 0.388 0.000 1.334 145 G CA -0.449 44.837 45.100 0.310 0.000 0.981 145 G HN 0.368 nan 8.290 nan 0.000 0.491 146 F N 2.249 122.330 119.950 0.218 0.000 2.404 146 F HA 0.586 5.113 4.527 0.001 0.000 0.339 146 F C -0.332 175.593 175.800 0.208 0.000 1.105 146 F CA -1.426 56.710 58.000 0.227 0.000 1.087 146 F CB 1.442 40.559 39.000 0.196 0.000 1.143 146 F HN 0.270 nan 8.300 nan 0.000 0.491 147 N N 3.889 122.241 118.700 -0.580 0.000 2.258 147 N HA 0.635 5.376 4.740 0.001 0.000 0.299 147 N C -1.650 173.438 175.510 -0.703 0.000 1.047 147 N CA -0.577 52.176 53.050 -0.495 0.000 0.814 147 N CB 2.084 40.451 38.487 -0.201 0.000 1.413 147 N HN 0.677 nan 8.380 nan 0.000 0.478 148 A N 2.048 124.604 122.820 -0.440 0.000 2.545 148 A HA 0.434 4.755 4.320 0.001 0.000 0.300 148 A C -0.410 177.171 177.584 -0.004 0.000 1.252 148 A CA -0.553 51.301 52.037 -0.305 0.000 0.753 148 A CB 0.310 19.261 19.000 -0.082 0.000 1.144 148 A HN 0.350 nan 8.150 nan 0.000 0.457 149 V N 2.563 122.392 119.914 -0.142 0.000 2.583 149 V HA 0.243 4.363 4.120 0.001 0.000 0.287 149 V C -0.401 175.519 176.094 -0.290 0.000 1.051 149 V CA -0.173 62.041 62.300 -0.145 0.000 1.010 149 V CB 1.090 32.805 31.823 -0.179 0.000 0.988 149 V HN 0.720 nan 8.190 nan 0.000 0.478 150 Y N 4.211 124.033 120.300 -0.797 0.000 2.328 150 Y HA 0.727 5.277 4.550 0.001 0.000 0.336 150 Y C -0.062 175.449 175.900 -0.648 0.000 0.960 150 Y CA -1.383 55.903 58.100 -1.358 0.000 1.134 150 Y CB 1.205 38.474 38.460 -1.985 0.000 1.166 150 Y HN 0.703 nan 8.280 nan 0.000 0.464 151 A N 7.279 129.566 122.820 -0.889 0.000 2.355 151 A HA 0.818 5.138 4.320 0.001 0.000 0.317 151 A C -0.999 176.263 177.584 -0.537 0.000 1.094 151 A CA -1.014 50.674 52.037 -0.581 0.000 0.764 151 A CB 1.093 19.947 19.000 -0.244 0.000 1.230 151 A HN 0.752 nan 8.150 nan 0.000 0.448 152 R N 1.264 121.532 120.500 -0.387 0.000 2.360 152 R HA 0.670 5.010 4.340 0.001 0.000 0.318 152 R C -0.460 175.762 176.300 -0.131 0.000 0.950 152 R CA -0.153 55.800 56.100 -0.246 0.000 0.837 152 R CB 1.891 32.023 30.300 -0.279 0.000 1.165 152 R HN 0.879 nan 8.270 nan 0.000 0.458 153 A N 2.595 125.323 122.820 -0.152 0.000 2.437 153 A HA 0.839 5.159 4.320 0.001 0.000 0.288 153 A C -1.041 176.371 177.584 -0.288 0.000 1.201 153 A CA -0.680 51.186 52.037 -0.285 0.000 0.795 153 A CB 2.133 20.788 19.000 -0.575 0.000 1.359 153 A HN 0.586 nan 8.150 nan 0.000 0.435 154 K N 0.452 120.671 120.400 -0.302 0.000 2.619 154 K HA 0.318 4.639 4.320 0.001 0.000 0.279 154 K C -2.442 174.005 176.600 -0.255 0.000 1.071 154 K CA -0.308 55.808 56.287 -0.286 0.000 1.039 154 K CB 0.613 33.001 32.500 -0.187 0.000 1.392 154 K HN 0.631 nan 8.250 nan 0.000 0.427 155 I N 3.460 123.837 120.570 -0.322 0.000 2.418 155 I HA 0.327 4.498 4.170 0.001 0.000 0.287 155 I C -0.645 175.288 176.117 -0.307 0.000 1.008 155 I CA -0.643 60.485 61.300 -0.286 0.000 1.104 155 I CB 2.001 39.790 38.000 -0.352 0.000 1.264 155 I HN 0.547 nan 8.210 nan 0.000 0.438 156 E N 6.184 126.273 120.200 -0.185 0.000 2.199 156 E HA 0.517 4.867 4.350 0.001 0.000 0.265 156 E C -0.995 175.484 176.600 -0.202 0.000 0.882 156 E CA -0.940 55.323 56.400 -0.228 0.000 0.759 156 E CB 2.234 31.856 29.700 -0.130 0.000 1.148 156 E HN 0.347 nan 8.360 nan 0.000 0.412 157 R N 2.036 122.339 120.500 -0.329 0.000 2.854 157 R HA 0.609 4.950 4.340 0.001 0.000 0.271 157 R C -0.966 175.135 176.300 -0.332 0.000 0.996 157 R CA -0.734 55.304 56.100 -0.104 0.000 0.961 157 R CB 1.029 31.346 30.300 0.029 0.000 1.182 157 R HN 0.376 nan 8.270 nan 0.000 0.479 158 F N -0.938 119.035 119.950 0.038 0.000 2.603 158 F HA 0.461 4.989 4.527 0.001 0.000 0.317 158 F C 0.447 176.275 175.800 0.046 0.000 1.066 158 F CA -1.191 56.828 58.000 0.032 0.000 0.941 158 F CB 1.550 40.574 39.000 0.040 0.000 1.291 158 F HN 0.573 nan 8.300 nan 0.000 0.472 159 A N 1.789 124.730 122.820 0.203 0.000 3.030 159 A HA 0.423 4.744 4.320 0.001 0.000 0.273 159 A C 1.411 179.081 177.584 0.144 0.000 1.841 159 A CA 0.469 52.575 52.037 0.115 0.000 1.479 159 A CB -1.503 17.506 19.000 0.016 0.000 1.048 159 A HN 1.050 nan 8.150 nan 0.000 0.612 160 G N 2.018 110.933 108.800 0.192 0.000 3.248 160 G HA2 -0.336 3.625 3.960 0.001 0.000 0.228 160 G HA3 -0.336 3.625 3.960 0.001 0.000 0.228 160 G C 0.568 175.531 174.900 0.106 0.000 1.100 160 G CA 1.520 46.713 45.100 0.155 0.000 0.750 160 G HN 0.847 nan 8.290 nan 0.000 1.046 161 D N -1.059 119.425 120.400 0.139 0.000 2.594 161 D HA 0.210 4.851 4.640 0.001 0.000 0.256 161 D C 1.797 178.154 176.300 0.094 0.000 1.393 161 D CA -0.289 53.766 54.000 0.092 0.000 0.797 161 D CB -0.442 40.400 40.800 0.071 0.000 1.110 161 D HN 0.368 nan 8.370 nan 0.000 0.495 162 L N 0.526 121.812 121.223 0.106 0.000 2.263 162 L HA -0.066 4.274 4.340 0.001 0.000 0.216 162 L C 2.291 179.191 176.870 0.049 0.000 1.111 162 L CA 1.629 56.505 54.840 0.059 0.000 0.773 162 L CB -0.473 41.617 42.059 0.052 0.000 0.906 162 L HN 0.356 nan 8.230 nan 0.000 0.439 163 G N -0.563 108.271 108.800 0.056 0.000 2.454 163 G HA2 -0.237 3.724 3.960 0.001 0.000 0.214 163 G HA3 -0.237 3.724 3.960 0.001 0.000 0.214 163 G C 1.392 176.321 174.900 0.050 0.000 1.217 163 G CA 0.262 45.402 45.100 0.066 0.000 0.799 163 G HN 0.276 nan 8.290 nan 0.000 0.538 164 Q N 0.195 120.020 119.800 0.041 0.000 2.197 164 Q HA -0.010 4.330 4.340 0.001 0.000 0.207 164 Q C 2.540 178.552 176.000 0.021 0.000 0.984 164 Q CA 0.921 56.741 55.803 0.029 0.000 0.869 164 Q CB -0.401 28.352 28.738 0.026 0.000 0.906 164 Q HN 0.517 nan 8.270 nan 0.000 0.426 165 L N -1.067 120.170 121.223 0.022 0.000 1.971 165 L HA -0.127 4.214 4.340 0.001 0.000 0.208 165 L C 1.954 178.825 176.870 0.001 0.000 1.083 165 L CA 0.773 55.616 54.840 0.005 0.000 0.753 165 L CB -0.717 41.336 42.059 -0.009 0.000 0.893 165 L HN 0.025 nan 8.230 nan 0.000 0.436 166 V N 0.313 120.233 119.914 0.009 0.000 3.099 166 V HA -0.268 3.852 4.120 0.001 0.000 0.269 166 V C 2.147 178.243 176.094 0.003 0.000 1.150 166 V CA 1.530 63.836 62.300 0.011 0.000 1.165 166 V CB -1.115 30.732 31.823 0.041 0.000 0.756 166 V HN 0.521 nan 8.190 nan 0.000 0.527 167 A N -0.230 122.594 122.820 0.007 0.000 2.035 167 A HA 0.349 4.669 4.320 0.001 0.000 0.208 167 A C 2.261 179.840 177.584 -0.008 0.000 1.206 167 A CA 0.880 52.915 52.037 -0.002 0.000 0.773 167 A CB -0.349 18.658 19.000 0.012 0.000 0.878 167 A HN 0.462 nan 8.150 nan 0.000 0.469 168 G N -0.971 107.827 108.800 -0.004 0.000 2.494 168 G HA2 -0.043 3.918 3.960 0.001 0.000 0.216 168 G HA3 -0.043 3.918 3.960 0.001 0.000 0.216 168 G C 1.391 176.285 174.900 -0.011 0.000 1.140 168 G CA 0.938 46.034 45.100 -0.006 0.000 0.801 168 G HN 0.430 nan 8.290 nan 0.000 0.536 169 Q N -0.248 119.544 119.800 -0.013 0.000 2.444 169 Q HA 0.307 4.647 4.340 0.001 0.000 0.206 169 Q C 1.969 177.958 176.000 -0.019 0.000 0.948 169 Q CA 0.318 56.112 55.803 -0.015 0.000 0.946 169 Q CB -0.115 28.613 28.738 -0.017 0.000 1.027 169 Q HN 0.549 nan 8.270 nan 0.000 0.513 170 I N -1.339 119.217 120.570 -0.023 0.000 3.526 170 I HA -0.053 4.117 4.170 0.001 0.000 0.294 170 I C 1.261 177.363 176.117 -0.026 0.000 1.229 170 I CA 0.136 61.417 61.300 -0.033 0.000 1.408 170 I CB 0.149 38.118 38.000 -0.052 0.000 1.127 170 I HN 0.221 nan 8.210 nan 0.000 0.439 171 M N -0.069 119.519 119.600 -0.020 0.000 2.191 171 M HA -0.056 4.424 4.480 0.001 0.000 0.262 171 M C 1.293 177.586 176.300 -0.012 0.000 1.083 171 M CA 1.321 56.612 55.300 -0.015 0.000 1.154 171 M CB -1.122 31.471 32.600 -0.012 0.000 1.344 171 M HN 0.001 nan 8.290 nan 0.000 0.431 172 Q N 2.285 122.079 119.800 -0.011 0.000 2.800 172 Q HA 0.087 4.427 4.340 0.001 0.000 0.261 172 Q C -0.919 175.076 176.000 -0.009 0.000 1.093 172 Q CA -0.140 55.658 55.803 -0.009 0.000 0.943 172 Q CB -0.639 28.094 28.738 -0.008 0.000 1.591 172 Q HN 0.475 nan 8.270 nan 0.000 0.429 173 S N -3.347 112.348 115.700 -0.009 0.000 2.756 173 S HA 0.187 4.657 4.470 0.001 0.000 0.295 173 S C -2.564 172.031 174.600 -0.008 0.000 0.945 173 S CA -1.185 57.010 58.200 -0.008 0.000 0.838 173 S CB 0.397 63.592 63.200 -0.008 0.000 1.042 173 S HN -0.008 nan 8.310 nan 0.000 0.467 174 P HA -0.264 nan 4.420 nan 0.000 0.216 174 P C 0.774 178.072 177.300 -0.004 0.000 1.155 174 P CA 2.520 65.618 63.100 -0.004 0.000 0.800 174 P CB -0.375 31.324 31.700 -0.002 0.000 0.726 175 A N -3.260 119.556 122.820 -0.007 0.000 2.701 175 A HA 0.489 4.809 4.320 0.001 0.000 0.241 175 A C 1.947 179.523 177.584 -0.013 0.000 1.231 175 A CA 0.488 52.521 52.037 -0.008 0.000 1.003 175 A CB -0.304 18.692 19.000 -0.007 0.000 1.281 175 A HN 0.217 nan 8.150 nan 0.000 0.600 176 G N -0.304 108.487 108.800 -0.014 0.000 2.422 176 G HA2 -0.150 3.811 3.960 0.001 0.000 0.218 176 G HA3 -0.150 3.811 3.960 0.001 0.000 0.218 176 G C 1.209 176.101 174.900 -0.013 0.000 1.140 176 G CA 0.799 45.890 45.100 -0.016 0.000 0.775 176 G HN 0.371 nan 8.290 nan 0.000 0.545 177 Q N 0.751 120.545 119.800 -0.009 0.000 2.541 177 Q HA -0.006 4.335 4.340 0.001 0.000 0.215 177 Q C 0.722 176.718 176.000 -0.006 0.000 0.977 177 Q CA 0.341 56.140 55.803 -0.007 0.000 0.934 177 Q CB -0.478 28.257 28.738 -0.005 0.000 0.988 177 Q HN 0.322 nan 8.270 nan 0.000 0.521 178 T N 2.158 116.707 114.554 -0.008 0.000 2.888 178 T HA 0.016 4.367 4.350 0.001 0.000 0.301 178 T C 1.151 175.846 174.700 -0.008 0.000 1.001 178 T CA -0.103 61.993 62.100 -0.007 0.000 1.147 178 T CB 0.718 69.582 68.868 -0.008 0.000 0.931 178 T HN 0.086 nan 8.240 nan 0.000 0.541 179 Q N 1.637 121.433 119.800 -0.005 0.000 2.482 179 Q HA -0.009 4.331 4.340 0.001 0.000 0.209 179 Q C 1.516 177.512 176.000 -0.007 0.000 0.961 179 Q CA 0.641 56.441 55.803 -0.006 0.000 0.945 179 Q CB 0.191 28.927 28.738 -0.003 0.000 1.012 179 Q HN 0.653 nan 8.270 nan 0.000 0.515 180 Q N -0.707 119.088 119.800 -0.008 0.000 2.532 180 Q HA 0.150 4.491 4.340 0.001 0.000 0.247 180 Q C 1.721 177.708 176.000 -0.023 0.000 0.872 180 Q CA 1.270 57.067 55.803 -0.010 0.000 0.963 180 Q CB -0.297 28.441 28.738 -0.000 0.000 1.159 180 Q HN 0.257 nan 8.270 nan 0.000 0.598 181 G N 0.398 109.184 108.800 -0.024 0.000 2.535 181 G HA2 -0.210 3.750 3.960 0.001 0.000 0.218 181 G HA3 -0.210 3.750 3.960 0.001 0.000 0.218 181 G C 1.177 176.048 174.900 -0.048 0.000 1.122 181 G CA 0.613 45.687 45.100 -0.043 0.000 0.769 181 G HN 0.354 nan 8.290 nan 0.000 0.549 182 Q N -0.286 119.494 119.800 -0.033 0.000 2.061 182 Q HA 0.229 4.570 4.340 0.001 0.000 0.195 182 Q C 2.943 178.924 176.000 -0.032 0.000 0.967 182 Q CA 0.865 56.651 55.803 -0.028 0.000 0.829 182 Q CB -0.117 28.611 28.738 -0.017 0.000 0.900 182 Q HN 0.394 nan 8.270 nan 0.000 0.450 183 A N 0.385 123.188 122.820 -0.029 0.000 2.125 183 A HA -0.146 4.174 4.320 0.001 0.000 0.219 183 A C 1.882 179.437 177.584 -0.049 0.000 1.156 183 A CA 0.841 52.861 52.037 -0.028 0.000 0.671 183 A CB -0.345 18.643 19.000 -0.019 0.000 0.794 183 A HN 0.318 nan 8.150 nan 0.000 0.459 184 L N -0.981 120.197 121.223 -0.076 0.000 2.095 184 L HA 0.142 4.482 4.340 0.001 0.000 0.204 184 L C 2.273 179.063 176.870 -0.132 0.000 1.080 184 L CA 1.925 56.681 54.840 -0.140 0.000 0.759 184 L CB -0.366 41.574 42.059 -0.199 0.000 0.914 184 L HN 0.282 nan 8.230 nan 0.000 0.439 185 A N -1.829 120.937 122.820 -0.091 0.000 2.462 185 A HA 0.612 4.932 4.320 0.001 0.000 0.261 185 A C 1.607 179.177 177.584 -0.024 0.000 1.323 185 A CA 0.557 52.560 52.037 -0.058 0.000 0.913 185 A CB -0.503 18.464 19.000 -0.054 0.000 1.028 185 A HN 0.369 nan 8.150 nan 0.000 0.511 186 A N -1.992 120.816 122.820 -0.020 0.000 2.287 186 A HA 0.236 4.557 4.320 0.001 0.000 0.214 186 A C 1.832 179.423 177.584 0.012 0.000 1.228 186 A CA 1.276 53.312 52.037 -0.002 0.000 0.939 186 A CB -0.066 18.931 19.000 -0.006 0.000 0.992 186 A HN 0.245 nan 8.150 nan 0.000 0.502 187 T N -0.319 114.239 114.554 0.007 0.000 3.009 187 T HA 0.185 4.536 4.350 0.001 0.000 0.258 187 T C 2.093 176.846 174.700 0.089 0.000 1.063 187 T CA 1.133 63.252 62.100 0.032 0.000 1.139 187 T CB -0.091 68.774 68.868 -0.004 0.000 0.890 187 T HN 0.468 nan 8.240 nan 0.000 0.471 188 A N 1.272 124.141 122.820 0.081 0.000 2.067 188 A HA -0.029 4.291 4.320 0.001 0.000 0.219 188 A C 2.019 179.668 177.584 0.108 0.000 1.158 188 A CA 1.389 53.521 52.037 0.158 0.000 0.661 188 A CB -0.676 18.394 19.000 0.116 0.000 0.801 188 A HN 0.583 nan 8.150 nan 0.000 0.452 189 N N -0.579 118.160 118.700 0.065 0.000 2.216 189 N HA -0.077 4.663 4.740 0.001 0.000 0.183 189 N C 1.681 177.222 175.510 0.052 0.000 1.017 189 N CA 0.722 53.800 53.050 0.047 0.000 0.861 189 N CB -0.177 38.327 38.487 0.029 0.000 0.986 189 N HN 0.438 nan 8.380 nan 0.000 0.428 190 G N 0.407 109.243 108.800 0.060 0.000 2.744 190 G HA2 0.058 4.018 3.960 0.001 0.000 0.211 190 G HA3 0.058 4.018 3.960 0.001 0.000 0.211 190 G C 0.566 175.509 174.900 0.071 0.000 1.143 190 G CA -0.200 44.935 45.100 0.059 0.000 0.788 190 G HN 0.179 nan 8.290 nan 0.000 0.534 191 I N 1.487 122.111 120.570 0.089 0.000 2.710 191 I HA 0.049 4.219 4.170 0.001 0.000 0.286 191 I C -0.166 175.982 176.117 0.051 0.000 1.181 191 I CA -0.399 60.946 61.300 0.075 0.000 1.430 191 I CB 0.639 38.672 38.000 0.056 0.000 1.367 191 I HN -0.066 nan 8.210 nan 0.000 0.577 192 D N 3.467 123.894 120.400 0.045 0.000 2.329 192 D HA 0.152 4.792 4.640 0.001 0.000 0.246 192 D C 1.001 177.331 176.300 0.049 0.000 1.111 192 D CA -0.228 53.798 54.000 0.042 0.000 0.941 192 D CB 1.329 42.154 40.800 0.041 0.000 1.169 192 D HN 0.406 nan 8.370 nan 0.000 0.441 193 S N 0.365 116.091 115.700 0.045 0.000 2.402 193 S HA -0.133 4.337 4.470 0.001 0.000 0.229 193 S C 1.082 175.731 174.600 0.081 0.000 1.021 193 S CA 0.525 58.757 58.200 0.052 0.000 0.974 193 S CB -0.218 62.995 63.200 0.021 0.000 0.800 193 S HN 0.540 nan 8.310 nan 0.000 0.484 194 N N 1.733 120.477 118.700 0.074 0.000 2.758 194 N HA 0.045 4.785 4.740 0.001 0.000 0.293 194 N C -1.086 174.582 175.510 0.264 0.000 1.273 194 N CA -0.033 53.093 53.050 0.127 0.000 1.022 194 N CB -0.171 38.325 38.487 0.016 0.000 1.334 194 N HN -0.046 nan 8.380 nan 0.000 0.519 195 T N 0.929 115.621 114.554 0.230 0.000 2.743 195 T HA 0.150 4.501 4.350 0.001 0.000 0.293 195 T C 0.360 175.108 174.700 0.080 0.000 0.945 195 T CA -0.494 61.677 62.100 0.118 0.000 1.030 195 T CB 1.135 70.019 68.868 0.027 0.000 0.912 195 T HN 0.122 nan 8.240 nan 0.000 0.483 196 K N 2.820 123.190 120.400 -0.050 0.000 2.315 196 K HA 0.004 4.324 4.320 0.001 0.000 0.281 196 K C 1.307 177.764 176.600 -0.238 0.000 1.086 196 K CA -0.020 56.085 56.287 -0.303 0.000 1.042 196 K CB 0.242 32.558 32.500 -0.307 0.000 0.949 196 K HN 0.528 nan 8.250 nan 0.000 0.450 197 T N 1.406 115.820 114.554 -0.233 0.000 3.023 197 T HA 0.030 4.381 4.350 0.001 0.000 0.266 197 T C 0.013 174.656 174.700 -0.096 0.000 1.093 197 T CA 0.853 62.883 62.100 -0.117 0.000 1.129 197 T CB 0.137 68.990 68.868 -0.026 0.000 0.899 197 T HN 0.718 nan 8.240 nan 0.000 0.491 198 A N 0.109 122.806 122.820 -0.204 0.000 2.572 198 A HA 0.535 4.855 4.320 0.001 0.000 0.303 198 A C -1.488 175.909 177.584 -0.312 0.000 1.059 198 A CA -0.779 51.136 52.037 -0.203 0.000 0.788 198 A CB 0.563 19.558 19.000 -0.008 0.000 1.282 198 A HN 0.461 nan 8.150 nan 0.000 0.397 199 H N 0.858 119.632 119.070 -0.492 0.000 2.679 199 H HA 0.897 5.454 4.556 0.001 0.000 0.367 199 H C -1.613 173.518 175.328 -0.329 0.000 1.162 199 H CA -0.898 54.903 56.048 -0.411 0.000 1.181 199 H CB 1.361 30.895 29.762 -0.378 0.000 1.693 199 H HN 0.668 nan 8.280 nan 0.000 0.538 200 L N 4.808 125.529 121.223 -0.837 0.000 2.795 200 L HA 0.295 4.635 4.340 0.001 0.000 0.260 200 L C -1.519 174.983 176.870 -0.614 0.000 0.935 200 L CA -0.655 53.837 54.840 -0.581 0.000 0.985 200 L CB 1.549 43.373 42.059 -0.392 0.000 1.433 200 L HN 0.889 nan 8.230 nan 0.000 0.447 201 N N 1.651 120.057 118.700 -0.490 0.000 2.329 201 N HA 0.917 5.657 4.740 0.001 0.000 0.282 201 N C -0.717 174.683 175.510 -0.183 0.000 1.198 201 N CA -0.580 52.271 53.050 -0.332 0.000 0.790 201 N CB 3.155 41.487 38.487 -0.258 0.000 1.579 201 N HN 0.658 nan 8.380 nan 0.000 0.475 202 G N 0.401 109.128 108.800 -0.121 0.000 2.473 202 G HA2 0.246 4.207 3.960 0.001 0.000 0.298 202 G HA3 0.246 4.207 3.960 0.001 0.000 0.298 202 G C -2.036 172.986 174.900 0.203 0.000 1.575 202 G CA -0.825 44.306 45.100 0.052 0.000 0.846 202 G HN 0.582 nan 8.290 nan 0.000 0.585 203 N N 0.974 119.788 118.700 0.190 0.000 2.399 203 N HA 0.703 5.444 4.740 0.001 0.000 0.295 203 N C -0.704 174.907 175.510 0.168 0.000 1.048 203 N CA -0.424 52.731 53.050 0.175 0.000 0.886 203 N CB 2.320 40.955 38.487 0.247 0.000 1.185 203 N HN 0.572 nan 8.380 nan 0.000 0.487 204 Q N 0.816 120.612 119.800 -0.007 0.000 2.527 204 Q HA 0.414 4.754 4.340 0.001 0.000 0.280 204 Q C -2.055 173.861 176.000 -0.140 0.000 0.977 204 Q CA -0.494 55.267 55.803 -0.071 0.000 0.837 204 Q CB 1.272 29.798 28.738 -0.354 0.000 1.454 204 Q HN 0.539 nan 8.270 nan 0.000 0.387 205 W N 0.548 121.804 121.300 -0.073 0.000 2.497 205 W HA 0.873 5.534 4.660 0.001 0.000 0.359 205 W C 0.576 176.913 176.519 -0.304 0.000 1.131 205 W CA -0.124 57.122 57.345 -0.165 0.000 1.280 205 W CB 2.009 31.371 29.460 -0.163 0.000 1.319 205 W HN 0.704 nan 8.180 nan 0.000 0.626 206 G N 0.086 108.743 108.800 -0.239 0.000 2.725 206 G HA2 0.793 4.754 3.960 0.001 0.000 0.288 206 G HA3 0.793 4.754 3.960 0.001 0.000 0.288 206 G C -2.359 172.168 174.900 -0.621 0.000 1.399 206 G CA -0.797 44.148 45.100 -0.258 0.000 0.859 206 G HN 0.217 nan 8.290 nan 0.000 0.479 207 F N -0.808 119.188 119.950 0.077 0.000 2.581 207 F HA 0.767 5.295 4.527 0.001 0.000 0.311 207 F C 0.566 176.412 175.800 0.076 0.000 1.113 207 F CA -0.263 57.782 58.000 0.075 0.000 0.935 207 F CB 2.859 41.968 39.000 0.183 0.000 1.232 207 F HN 0.859 nan 8.300 nan 0.000 0.445 208 G N 1.057 109.968 108.800 0.185 0.000 2.645 208 G HA2 0.621 4.582 3.960 0.001 0.000 0.292 208 G HA3 0.621 4.582 3.960 0.001 0.000 0.292 208 G C -2.207 172.854 174.900 0.268 0.000 1.415 208 G CA -0.784 44.431 45.100 0.192 0.000 0.785 208 G HN 0.718 nan 8.290 nan 0.000 0.483 209 W N 0.013 121.345 121.300 0.054 0.000 3.060 209 W HA 0.772 5.432 4.660 0.001 0.000 0.346 209 W C -1.209 175.326 176.519 0.027 0.000 1.194 209 W CA -1.092 56.312 57.345 0.098 0.000 1.105 209 W CB 1.125 30.689 29.460 0.174 0.000 1.487 209 W HN 0.844 nan 8.180 nan 0.000 0.592 210 N N 0.686 119.474 118.700 0.147 0.000 2.516 210 N HA 0.537 5.278 4.740 0.001 0.000 0.268 210 N C -2.060 173.574 175.510 0.207 0.000 1.096 210 N CA -0.510 52.471 53.050 -0.115 0.000 0.954 210 N CB 1.965 40.347 38.487 -0.175 0.000 1.676 210 N HN 0.740 nan 8.380 nan 0.000 0.490 211 A N 0.750 123.684 122.820 0.191 0.000 2.384 211 A HA 0.969 5.290 4.320 0.001 0.000 0.312 211 A C -0.245 177.486 177.584 0.246 0.000 1.113 211 A CA -0.421 51.811 52.037 0.325 0.000 0.779 211 A CB 1.792 21.081 19.000 0.483 0.000 1.307 211 A HN 0.925 nan 8.150 nan 0.000 0.436 212 G N 0.507 109.469 108.800 0.269 0.000 2.739 212 G HA2 0.544 4.504 3.960 0.001 0.000 0.292 212 G HA3 0.544 4.504 3.960 0.001 0.000 0.292 212 G C -1.086 173.965 174.900 0.251 0.000 1.444 212 G CA -0.397 44.843 45.100 0.234 0.000 1.144 212 G HN 0.644 nan 8.290 nan 0.000 0.550 213 I N 1.648 122.374 120.570 0.261 0.000 2.428 213 I HA 0.544 4.714 4.170 0.001 0.000 0.296 213 I C -0.399 175.812 176.117 0.157 0.000 0.985 213 I CA -0.852 60.578 61.300 0.218 0.000 1.260 213 I CB 1.991 40.203 38.000 0.352 0.000 1.389 213 I HN 0.326 nan 8.210 nan 0.000 0.484 214 L N 7.345 128.604 121.223 0.060 0.000 2.406 214 L HA 0.458 4.799 4.340 0.001 0.000 0.272 214 L C -1.699 175.207 176.870 0.059 0.000 0.980 214 L CA -0.439 54.438 54.840 0.062 0.000 0.831 214 L CB 1.568 43.623 42.059 -0.007 0.000 1.253 214 L HN 0.559 nan 8.230 nan 0.000 0.406 215 Y N 4.848 125.066 120.300 -0.137 0.000 2.341 215 Y HA 0.501 5.051 4.550 0.001 0.000 0.338 215 Y C -0.802 174.953 175.900 -0.242 0.000 0.965 215 Y CA -0.558 57.278 58.100 -0.439 0.000 1.108 215 Y CB 1.403 39.439 38.460 -0.708 0.000 1.180 215 Y HN 0.660 nan 8.280 nan 0.000 0.458 216 E N 7.059 126.843 120.200 -0.693 0.000 2.220 216 E HA 0.190 4.540 4.350 0.001 0.000 0.256 216 E C -0.529 175.612 176.600 -0.765 0.000 0.881 216 E CA -0.591 55.453 56.400 -0.594 0.000 0.766 216 E CB 2.332 31.829 29.700 -0.339 0.000 1.187 216 E HN 0.866 nan 8.360 nan 0.000 0.419 217 L N 2.808 123.584 121.223 -0.746 0.000 1.915 217 L HA -0.194 4.146 4.340 0.001 0.000 0.225 217 L C 0.476 177.179 176.870 -0.279 0.000 1.084 217 L CA 2.409 56.947 54.840 -0.502 0.000 0.788 217 L CB -0.020 41.895 42.059 -0.239 0.000 0.892 217 L HN 0.798 nan 8.230 nan 0.000 0.434 218 D N -2.560 117.727 120.400 -0.187 0.000 2.592 218 D HA 0.183 4.824 4.640 0.001 0.000 0.259 218 D C 0.102 176.310 176.300 -0.154 0.000 1.144 218 D CA -0.639 53.279 54.000 -0.136 0.000 1.080 218 D CB 0.614 41.363 40.800 -0.084 0.000 1.225 218 D HN -0.194 nan 8.370 nan 0.000 0.619 219 K N -0.641 119.682 120.400 -0.129 0.000 2.611 219 K HA 0.192 4.512 4.320 0.001 0.000 0.193 219 K C 0.119 176.626 176.600 -0.154 0.000 1.026 219 K CA 0.285 56.482 56.287 -0.149 0.000 1.063 219 K CB -0.291 32.133 32.500 -0.127 0.000 0.839 219 K HN 0.284 nan 8.250 nan 0.000 0.505 220 N N -0.410 118.219 118.700 -0.119 0.000 2.193 220 N HA 0.063 4.803 4.740 0.001 0.000 0.210 220 N C -0.728 174.768 175.510 -0.023 0.000 1.215 220 N CA 0.045 53.054 53.050 -0.068 0.000 0.901 220 N CB 0.699 39.171 38.487 -0.025 0.000 1.060 220 N HN 0.052 nan 8.380 nan 0.000 0.508 221 N N 1.240 119.888 118.700 -0.087 0.000 2.371 221 N HA 0.323 5.064 4.740 0.001 0.000 0.291 221 N C -0.844 174.541 175.510 -0.210 0.000 1.053 221 N CA -0.274 52.722 53.050 -0.090 0.000 0.870 221 N CB 2.669 41.152 38.487 -0.008 0.000 1.503 221 N HN 0.168 nan 8.380 nan 0.000 0.485 222 R N 0.511 120.811 120.500 -0.335 0.000 2.710 222 R HA 0.581 4.921 4.340 0.001 0.000 0.270 222 R C -1.712 174.314 176.300 -0.457 0.000 1.021 222 R CA -0.743 55.166 56.100 -0.319 0.000 0.889 222 R CB 1.336 31.464 30.300 -0.287 0.000 1.243 222 R HN 0.309 nan 8.270 nan 0.000 0.464 223 Y N -0.369 119.874 120.300 -0.095 0.000 2.581 223 Y HA 0.848 5.399 4.550 0.001 0.000 0.345 223 Y C -0.492 175.440 175.900 0.054 0.000 1.036 223 Y CA -0.656 57.455 58.100 0.020 0.000 1.042 223 Y CB 2.959 41.473 38.460 0.089 0.000 1.289 223 Y HN 1.028 nan 8.280 nan 0.000 0.471 224 A N 1.604 124.574 122.820 0.250 0.000 2.594 224 A HA 0.670 4.991 4.320 0.001 0.000 0.296 224 A C -2.542 175.172 177.584 0.215 0.000 1.061 224 A CA -0.547 51.612 52.037 0.205 0.000 0.689 224 A CB 1.519 20.594 19.000 0.125 0.000 1.280 224 A HN 0.654 nan 8.150 nan 0.000 0.406 225 L N 1.409 122.772 121.223 0.233 0.000 2.334 225 L HA 0.979 5.319 4.340 0.001 0.000 0.273 225 L C -0.044 176.981 176.870 0.258 0.000 1.013 225 L CA 0.456 55.447 54.840 0.251 0.000 0.816 225 L CB 2.055 44.270 42.059 0.261 0.000 1.278 225 L HN 1.244 nan 8.230 nan 0.000 0.431 226 T N 1.253 115.977 114.554 0.283 0.000 2.982 226 T HA 0.468 4.818 4.350 0.001 0.000 0.321 226 T C -1.398 173.432 174.700 0.217 0.000 1.229 226 T CA -0.510 61.722 62.100 0.221 0.000 1.044 226 T CB 0.898 69.832 68.868 0.109 0.000 1.184 226 T HN 0.626 nan 8.240 nan 0.000 0.477 227 Y N 1.868 122.108 120.300 -0.100 0.000 2.364 227 Y HA 0.749 5.299 4.550 0.001 0.000 0.340 227 Y C -0.374 175.214 175.900 -0.519 0.000 0.975 227 Y CA -1.278 56.524 58.100 -0.496 0.000 1.089 227 Y CB 1.787 39.849 38.460 -0.663 0.000 1.192 227 Y HN 0.887 nan 8.280 nan 0.000 0.454 228 R N 4.338 124.113 120.500 -1.209 0.000 2.312 228 R HA 0.364 4.705 4.340 0.001 0.000 0.310 228 R C -0.840 174.609 176.300 -1.419 0.000 1.064 228 R CA -0.397 55.103 56.100 -1.000 0.000 0.983 228 R CB 0.146 30.111 30.300 -0.559 0.000 1.139 228 R HN 0.743 nan 8.270 nan 0.000 0.536 229 S N 2.022 116.817 115.700 -1.508 0.000 2.558 229 S HA -0.058 4.413 4.470 0.001 0.000 0.287 229 S C 0.253 174.491 174.600 -0.604 0.000 1.321 229 S CA -0.468 57.041 58.200 -1.152 0.000 1.048 229 S CB 0.542 63.078 63.200 -1.107 0.000 0.844 229 S HN 0.744 nan 8.310 nan 0.000 0.512 230 E N 0.778 120.758 120.200 -0.366 0.000 2.418 230 E HA 0.330 4.681 4.350 0.001 0.000 0.261 230 E C -1.150 175.341 176.600 -0.183 0.000 1.070 230 E CA -0.441 55.807 56.400 -0.253 0.000 0.931 230 E CB 0.542 30.168 29.700 -0.123 0.000 0.954 230 E HN 0.540 nan 8.360 nan 0.000 0.439 231 V N 4.485 124.277 119.914 -0.203 0.000 2.623 231 V HA 0.298 4.418 4.120 0.001 0.000 0.304 231 V C -0.552 175.467 176.094 -0.125 0.000 1.054 231 V CA -0.844 61.374 62.300 -0.138 0.000 0.882 231 V CB 1.859 33.577 31.823 -0.176 0.000 1.002 231 V HN 0.640 nan 8.190 nan 0.000 0.424 232 K N 4.852 125.224 120.400 -0.046 0.000 2.123 232 K HA 0.750 5.071 4.320 0.001 0.000 0.259 232 K C -1.110 175.458 176.600 -0.053 0.000 0.960 232 K CA -0.677 55.593 56.287 -0.028 0.000 0.872 232 K CB 2.459 34.975 32.500 0.026 0.000 1.079 232 K HN 0.521 nan 8.250 nan 0.000 0.440 233 I N 2.371 122.891 120.570 -0.083 0.000 2.521 233 I HA 0.089 4.260 4.170 0.001 0.000 0.277 233 I C -0.898 175.107 176.117 -0.186 0.000 1.054 233 I CA -0.740 60.421 61.300 -0.233 0.000 1.117 233 I CB 1.452 39.155 38.000 -0.495 0.000 1.217 233 I HN 0.381 nan 8.210 nan 0.000 0.469 234 D N 6.644 126.996 120.400 -0.080 0.000 2.489 234 D HA 0.126 4.766 4.640 0.001 0.000 0.237 234 D C -0.059 176.231 176.300 -0.017 0.000 1.212 234 D CA 0.266 54.279 54.000 0.022 0.000 1.058 234 D CB 0.045 40.893 40.800 0.079 0.000 1.098 234 D HN 0.196 nan 8.370 nan 0.000 0.509 235 F N 1.786 121.746 119.950 0.016 0.000 2.578 235 F HA -0.039 4.489 4.527 0.001 0.000 0.381 235 F C 1.343 177.078 175.800 -0.107 0.000 1.069 235 F CA 0.075 58.057 58.000 -0.031 0.000 1.231 235 F CB 0.606 39.585 39.000 -0.035 0.000 1.086 235 F HN -0.070 nan 8.300 nan 0.000 0.564 236 K N 3.660 124.088 120.400 0.047 0.000 2.464 236 K HA 0.636 4.956 4.320 0.001 0.000 0.252 236 K C -0.500 176.053 176.600 -0.079 0.000 1.000 236 K CA -0.267 55.903 56.287 -0.195 0.000 0.951 236 K CB 0.905 33.282 32.500 -0.205 0.000 1.183 236 K HN 0.663 nan 8.250 nan 0.000 0.445 237 G N 1.971 110.717 108.800 -0.090 0.000 2.827 237 G HA2 0.301 4.261 3.960 0.001 0.000 0.296 237 G HA3 0.301 4.261 3.960 0.001 0.000 0.296 237 G C -1.345 173.547 174.900 -0.014 0.000 1.362 237 G CA -1.027 44.054 45.100 -0.031 0.000 0.809 237 G HN 0.501 nan 8.290 nan 0.000 0.522 238 N N -0.624 118.074 118.700 -0.003 0.000 2.524 238 N HA 0.551 5.292 4.740 0.001 0.000 0.283 238 N C -1.253 174.292 175.510 0.058 0.000 1.142 238 N CA -0.172 52.904 53.050 0.043 0.000 0.984 238 N CB 1.509 40.029 38.487 0.056 0.000 1.155 238 N HN 0.543 nan 8.380 nan 0.000 0.467 239 Y N -0.096 120.206 120.300 0.003 0.000 2.553 239 Y HA 0.710 5.260 4.550 0.001 0.000 0.347 239 Y C -0.775 175.154 175.900 0.049 0.000 1.019 239 Y CA -0.559 57.537 58.100 -0.006 0.000 1.032 239 Y CB 1.421 39.882 38.460 0.000 0.000 1.284 239 Y HN 0.746 nan 8.280 nan 0.000 0.466 240 S N 1.806 116.691 115.700 -1.359 0.000 2.643 240 S HA 0.668 5.139 4.470 0.001 0.000 0.266 240 S C -1.406 172.689 174.600 -0.842 0.000 1.130 240 S CA -0.608 57.094 58.200 -0.829 0.000 0.817 240 S CB 1.105 64.116 63.200 -0.316 0.000 1.107 240 S HN 1.159 nan 8.310 nan 0.000 0.471 241 S N -0.295 115.180 115.700 -0.376 0.000 2.584 241 S HA 0.442 4.913 4.470 0.001 0.000 0.280 241 S C -1.092 173.438 174.600 -0.117 0.000 1.162 241 S CA -0.544 57.527 58.200 -0.215 0.000 0.951 241 S CB 1.272 64.428 63.200 -0.073 0.000 1.108 241 S HN 0.628 nan 8.310 nan 0.000 0.464 242 D N 2.796 123.126 120.400 -0.117 0.000 2.363 242 D HA 0.122 4.762 4.640 0.001 0.000 0.220 242 D C 0.731 177.014 176.300 -0.028 0.000 0.994 242 D CA 0.359 54.320 54.000 -0.066 0.000 0.890 242 D CB 0.003 40.764 40.800 -0.066 0.000 0.906 242 D HN 0.490 nan 8.370 nan 0.000 0.530 243 L N 1.650 122.837 121.223 -0.059 0.000 2.490 243 L HA -0.011 4.329 4.340 0.001 0.000 0.274 243 L C 0.931 177.878 176.870 0.128 0.000 1.201 243 L CA -0.226 54.565 54.840 -0.082 0.000 0.869 243 L CB 0.341 42.245 42.059 -0.257 0.000 1.123 243 L HN -0.061 nan 8.230 nan 0.000 0.484 244 N N 3.603 122.509 118.700 0.343 0.000 2.359 244 N HA -0.081 4.660 4.740 0.001 0.000 0.261 244 N C 1.112 176.838 175.510 0.360 0.000 1.267 244 N CA 0.419 53.684 53.050 0.358 0.000 0.864 244 N CB 0.662 39.366 38.487 0.361 0.000 1.063 244 N HN 0.501 nan 8.380 nan 0.000 0.474 245 R N 3.118 123.738 120.500 0.200 0.000 2.154 245 R HA -0.213 4.128 4.340 0.001 0.000 0.248 245 R C 1.655 178.050 176.300 0.158 0.000 1.155 245 R CA 1.707 57.906 56.100 0.164 0.000 0.979 245 R CB -0.450 29.912 30.300 0.103 0.000 0.869 245 R HN 0.653 nan 8.270 nan 0.000 0.452 246 A N 0.589 123.479 122.820 0.118 0.000 2.131 246 A HA -0.144 4.176 4.320 0.001 0.000 0.220 246 A C 1.614 179.224 177.584 0.042 0.000 1.158 246 A CA 1.045 53.099 52.037 0.028 0.000 0.665 246 A CB -0.633 18.347 19.000 -0.032 0.000 0.795 246 A HN 0.257 nan 8.150 nan 0.000 0.460 247 F N -0.243 119.779 119.950 0.119 0.000 2.699 247 F HA -0.027 4.501 4.527 0.001 0.000 0.298 247 F C 1.681 177.560 175.800 0.133 0.000 1.154 247 F CA 1.029 59.123 58.000 0.156 0.000 1.457 247 F CB -0.270 38.799 39.000 0.116 0.000 1.106 247 F HN 0.261 nan 8.300 nan 0.000 0.585 248 N N -0.414 118.420 118.700 0.223 0.000 2.398 248 N HA -0.014 4.726 4.740 0.001 0.000 0.188 248 N C -0.479 175.057 175.510 0.043 0.000 1.122 248 N CA 0.147 53.278 53.050 0.136 0.000 0.866 248 N CB 0.016 38.566 38.487 0.105 0.000 0.970 248 N HN 0.033 nan 8.380 nan 0.000 0.462 249 N N 0.483 119.157 118.700 -0.043 0.000 2.990 249 N HA 0.159 4.899 4.740 0.001 0.000 0.288 249 N C -1.091 174.063 175.510 -0.594 0.000 1.624 249 N CA -0.155 52.739 53.050 -0.259 0.000 0.961 249 N CB 0.257 38.542 38.487 -0.337 0.000 1.259 249 N HN 0.174 nan 8.380 nan 0.000 0.489 250 Y N -0.988 119.323 120.300 0.019 0.000 3.321 250 Y HA 0.179 4.730 4.550 0.001 0.000 0.234 250 Y C 1.070 176.986 175.900 0.027 0.000 0.930 250 Y CA -0.983 57.125 58.100 0.014 0.000 1.217 250 Y CB -0.001 38.464 38.460 0.007 0.000 1.278 250 Y HN 0.359 nan 8.280 nan 0.000 0.689 251 G N 1.670 110.533 108.800 0.104 0.000 2.359 251 G HA2 -0.279 3.682 3.960 0.001 0.000 0.278 251 G HA3 -0.279 3.682 3.960 0.001 0.000 0.278 251 G C -0.182 174.779 174.900 0.101 0.000 0.872 251 G CA 0.326 45.475 45.100 0.081 0.000 1.185 251 G HN 0.184 nan 8.290 nan 0.000 0.474 252 L N 0.089 121.392 121.223 0.132 0.000 2.399 252 L HA 0.483 4.823 4.340 0.001 0.000 0.266 252 L C -0.258 176.665 176.870 0.087 0.000 1.114 252 L CA -1.893 53.022 54.840 0.124 0.000 0.804 252 L CB 1.132 43.300 42.059 0.182 0.000 1.146 252 L HN -0.013 nan 8.230 nan 0.000 0.451 253 P HA -0.064 nan 4.420 nan 0.000 0.215 253 P C -0.043 177.287 177.300 0.051 0.000 1.153 253 P CA 0.616 63.739 63.100 0.039 0.000 0.853 253 P CB -0.015 31.699 31.700 0.023 0.000 0.788 254 I N -0.311 120.302 120.570 0.072 0.000 3.279 254 I HA -0.195 3.976 4.170 0.001 0.000 0.327 254 I C -2.027 174.150 176.117 0.101 0.000 1.037 254 I CA -0.644 60.710 61.300 0.089 0.000 1.970 254 I CB -1.520 36.547 38.000 0.111 0.000 1.069 254 I HN 0.005 nan 8.210 nan 0.000 0.417 255 P HA 0.116 nan 4.420 nan 0.000 0.274 255 P C -0.348 177.067 177.300 0.191 0.000 1.231 255 P CA -0.270 62.939 63.100 0.181 0.000 0.790 255 P CB 0.368 32.279 31.700 0.352 0.000 0.951 256 T N 1.794 116.440 114.554 0.152 0.000 2.596 256 T HA 0.124 4.475 4.350 0.001 0.000 0.252 256 T C 0.559 175.423 174.700 0.274 0.000 1.033 256 T CA 0.253 62.449 62.100 0.160 0.000 1.215 256 T CB -0.560 68.342 68.868 0.056 0.000 1.011 256 T HN 0.436 nan 8.240 nan 0.000 0.498 257 A N 3.606 126.547 122.820 0.203 0.000 2.340 257 A HA 0.598 4.919 4.320 0.001 0.000 0.268 257 A C 1.256 178.945 177.584 0.175 0.000 1.100 257 A CA -0.222 51.921 52.037 0.177 0.000 0.803 257 A CB 0.436 19.542 19.000 0.177 0.000 1.043 257 A HN 0.964 nan 8.150 nan 0.000 0.488 258 T N -1.766 112.864 114.554 0.127 0.000 3.403 258 T HA 0.413 4.764 4.350 0.001 0.000 0.308 258 T C 1.013 175.751 174.700 0.062 0.000 0.952 258 T CA 1.031 63.197 62.100 0.109 0.000 0.970 258 T CB -0.623 68.323 68.868 0.130 0.000 1.189 258 T HN 2.433 nan 8.240 nan 0.000 0.528 259 G N 0.834 109.671 108.800 0.062 0.000 2.361 259 G HA2 0.103 4.063 3.960 0.001 0.000 0.294 259 G HA3 0.103 4.063 3.960 0.001 0.000 0.294 259 G C 1.320 176.229 174.900 0.014 0.000 1.004 259 G CA 0.870 46.000 45.100 0.050 0.000 0.870 259 G HN 1.994 nan 8.290 nan 0.000 0.510 260 G N -2.023 106.764 108.800 -0.021 0.000 2.213 260 G HA2 0.183 4.144 3.960 0.001 0.000 0.236 260 G HA3 0.183 4.144 3.960 0.001 0.000 0.236 260 G C 0.805 175.680 174.900 -0.040 0.000 0.991 260 G CA 1.047 46.119 45.100 -0.047 0.000 0.629 260 G HN 2.247 nan 8.290 nan 0.000 0.517 261 A N 1.531 124.346 122.820 -0.009 0.000 2.496 261 A HA 0.540 4.861 4.320 0.001 0.000 0.278 261 A C 0.882 178.473 177.584 0.012 0.000 1.137 261 A CA 1.284 53.329 52.037 0.013 0.000 0.805 261 A CB -0.167 18.859 19.000 0.043 0.000 1.077 261 A HN 0.866 nan 8.150 nan 0.000 0.513 262 T N 3.675 118.233 114.554 0.007 0.000 2.799 262 T HA 0.339 4.690 4.350 0.001 0.000 0.296 262 T C 0.149 174.891 174.700 0.070 0.000 0.947 262 T CA 0.240 62.353 62.100 0.021 0.000 1.141 262 T CB 0.140 69.018 68.868 0.017 0.000 0.891 262 T HN 0.777 nan 8.240 nan 0.000 0.533 263 Q N 2.800 122.673 119.800 0.121 0.000 2.323 263 Q HA 0.394 4.734 4.340 0.001 0.000 0.271 263 Q C -0.859 175.253 176.000 0.185 0.000 1.048 263 Q CA -0.805 55.092 55.803 0.157 0.000 0.792 263 Q CB 1.561 30.412 28.738 0.189 0.000 1.280 263 Q HN 0.557 nan 8.270 nan 0.000 0.441 264 S N 1.477 117.267 115.700 0.151 0.000 2.571 264 S HA 0.356 4.827 4.470 0.001 0.000 0.298 264 S C 0.265 174.986 174.600 0.200 0.000 1.280 264 S CA 0.429 58.714 58.200 0.141 0.000 1.052 264 S CB 0.428 63.720 63.200 0.153 0.000 0.799 264 S HN 0.740 nan 8.310 nan 0.000 0.501 265 G N 0.682 109.563 108.800 0.135 0.000 2.612 265 G HA2 0.612 4.572 3.960 0.001 0.000 0.298 265 G HA3 0.612 4.572 3.960 0.001 0.000 0.298 265 G C -2.020 172.959 174.900 0.133 0.000 1.336 265 G CA -0.665 44.555 45.100 0.200 0.000 0.953 265 G HN 0.504 nan 8.290 nan 0.000 0.482 266 Y N -0.241 120.091 120.300 0.052 0.000 2.376 266 Y HA 0.763 5.313 4.550 0.001 0.000 0.340 266 Y C -0.032 175.920 175.900 0.086 0.000 0.965 266 Y CA -1.018 57.130 58.100 0.079 0.000 1.078 266 Y CB 2.437 40.935 38.460 0.064 0.000 1.193 266 Y HN 0.567 nan 8.280 nan 0.000 0.452 267 L N 1.580 122.945 121.223 0.236 0.000 2.505 267 L HA 0.712 5.052 4.340 0.001 0.000 0.259 267 L C -1.221 175.811 176.870 0.269 0.000 0.952 267 L CA -0.204 54.764 54.840 0.213 0.000 0.840 267 L CB 2.493 44.638 42.059 0.143 0.000 1.358 267 L HN 0.573 nan 8.230 nan 0.000 0.409 268 T N 4.553 119.237 114.554 0.217 0.000 2.786 268 T HA 0.495 4.846 4.350 0.001 0.000 0.283 268 T C -0.996 173.837 174.700 0.222 0.000 0.992 268 T CA -0.175 62.047 62.100 0.205 0.000 0.954 268 T CB 1.129 70.079 68.868 0.136 0.000 0.934 268 T HN 0.423 nan 8.240 nan 0.000 0.440 269 L N 5.322 126.706 121.223 0.268 0.000 2.264 269 L HA 0.457 4.798 4.340 0.001 0.000 0.287 269 L C -0.243 176.717 176.870 0.150 0.000 1.039 269 L CA -0.257 54.749 54.840 0.277 0.000 0.829 269 L CB 0.091 42.382 42.059 0.387 0.000 1.211 269 L HN 0.520 nan 8.230 nan 0.000 0.427 270 N N 5.641 124.450 118.700 0.182 0.000 2.430 270 N HA 0.339 5.080 4.740 0.001 0.000 0.265 270 N C -0.998 174.423 175.510 -0.148 0.000 1.100 270 N CA -0.302 52.773 53.050 0.043 0.000 0.961 270 N CB 0.769 39.312 38.487 0.093 0.000 1.075 270 N HN 0.534 nan 8.380 nan 0.000 0.478 271 L N 4.823 125.836 121.223 -0.349 0.000 2.287 271 L HA 0.389 4.729 4.340 0.001 0.000 0.280 271 L C -2.132 174.273 176.870 -0.775 0.000 1.055 271 L CA -1.940 52.430 54.840 -0.783 0.000 0.863 271 L CB 0.562 42.122 42.059 -0.831 0.000 1.245 271 L HN 0.273 nan 8.230 nan 0.000 0.432 272 P HA -0.184 nan 4.420 nan 0.000 0.270 272 P C -0.357 176.629 177.300 -0.523 0.000 1.167 272 P CA 0.621 63.268 63.100 -0.755 0.000 0.759 272 P CB 0.410 31.279 31.700 -1.385 0.000 0.777 273 E N 2.564 122.536 120.200 -0.379 0.000 2.345 273 E HA 0.500 4.850 4.350 0.001 0.000 0.259 273 E C -0.409 175.987 176.600 -0.340 0.000 1.117 273 E CA -0.712 55.441 56.400 -0.412 0.000 0.913 273 E CB 0.647 30.125 29.700 -0.369 0.000 1.057 273 E HN 0.205 nan 8.360 nan 0.000 0.432 274 M N 2.438 121.764 119.600 -0.456 0.000 2.165 274 M HA 0.247 4.727 4.480 0.001 0.000 0.283 274 M C -2.191 173.997 176.300 -0.188 0.000 0.978 274 M CA -0.400 54.760 55.300 -0.233 0.000 0.948 274 M CB 1.564 34.029 32.600 -0.225 0.000 1.599 274 M HN 0.749 nan 8.290 nan 0.000 0.450 275 W N 3.088 124.409 121.300 0.034 0.000 2.573 275 W HA 0.558 5.219 4.660 0.001 0.000 0.326 275 W C -0.508 176.073 176.519 0.104 0.000 1.049 275 W CA -0.279 57.134 57.345 0.114 0.000 1.220 275 W CB 1.570 31.147 29.460 0.195 0.000 1.373 275 W HN 0.623 nan 8.180 nan 0.000 0.507 276 E N 2.400 122.827 120.200 0.379 0.000 2.304 276 E HA 0.407 4.757 4.350 0.001 0.000 0.277 276 E C -1.940 174.796 176.600 0.227 0.000 0.898 276 E CA -0.380 56.164 56.400 0.240 0.000 0.764 276 E CB 2.433 32.210 29.700 0.128 0.000 1.216 276 E HN 0.093 nan 8.360 nan 0.000 0.419 277 V N 3.105 123.138 119.914 0.199 0.000 2.513 277 V HA 0.647 4.768 4.120 0.001 0.000 0.299 277 V C -0.541 175.680 176.094 0.211 0.000 1.035 277 V CA -0.264 62.155 62.300 0.197 0.000 0.889 277 V CB 1.623 33.545 31.823 0.165 0.000 0.988 277 V HN 0.781 nan 8.190 nan 0.000 0.440 278 S N 2.620 118.457 115.700 0.229 0.000 2.565 278 S HA 0.913 5.383 4.470 0.001 0.000 0.269 278 S C -0.529 174.176 174.600 0.175 0.000 1.153 278 S CA -0.396 57.934 58.200 0.216 0.000 0.835 278 S CB 1.980 65.257 63.200 0.129 0.000 1.122 278 S HN 1.190 nan 8.310 nan 0.000 0.462 279 G N -0.132 108.628 108.800 -0.065 0.000 2.659 279 G HA2 0.654 4.615 3.960 0.001 0.000 0.296 279 G HA3 0.654 4.615 3.960 0.001 0.000 0.296 279 G C -2.206 172.196 174.900 -0.829 0.000 1.369 279 G CA -0.804 43.975 45.100 -0.534 0.000 0.937 279 G HN 0.922 nan 8.290 nan 0.000 0.485 280 Y N 1.344 121.167 120.300 -0.796 0.000 2.442 280 Y HA 0.620 5.171 4.550 0.001 0.000 0.344 280 Y C -1.179 174.488 175.900 -0.388 0.000 0.976 280 Y CA -1.229 56.592 58.100 -0.466 0.000 1.040 280 Y CB 2.127 40.428 38.460 -0.265 0.000 1.228 280 Y HN 0.423 nan 8.280 nan 0.000 0.451 281 N N 5.470 124.056 118.700 -0.190 0.000 2.519 281 N HA 0.193 4.933 4.740 0.001 0.000 0.286 281 N C -1.283 174.205 175.510 -0.036 0.000 1.079 281 N CA -0.734 52.312 53.050 -0.006 0.000 0.878 281 N CB 1.879 40.371 38.487 0.008 0.000 1.375 281 N HN 0.585 nan 8.380 nan 0.000 0.514 282 R N 2.535 123.142 120.500 0.178 0.000 3.268 282 R HA 0.134 4.474 4.340 0.001 0.000 0.217 282 R C 0.752 177.092 176.300 0.066 0.000 1.568 282 R CA -0.079 56.098 56.100 0.128 0.000 1.322 282 R CB -0.312 30.079 30.300 0.151 0.000 1.280 282 R HN 0.363 nan 8.270 nan 0.000 0.667 283 V N 1.041 120.988 119.914 0.055 0.000 2.720 283 V HA -0.180 3.940 4.120 0.001 0.000 0.256 283 V C 0.519 176.647 176.094 0.058 0.000 1.082 283 V CA 1.687 64.015 62.300 0.047 0.000 1.101 283 V CB -0.326 31.512 31.823 0.024 0.000 0.693 283 V HN 0.555 nan 8.190 nan 0.000 0.479 284 D N -3.570 116.893 120.400 0.105 0.000 2.736 284 D HA 0.312 4.953 4.640 0.001 0.000 0.223 284 D C -2.128 174.241 176.300 0.115 0.000 1.231 284 D CA -1.437 52.637 54.000 0.123 0.000 0.818 284 D CB 2.121 43.030 40.800 0.182 0.000 1.587 284 D HN -0.250 nan 8.370 nan 0.000 0.463 285 P HA -0.193 nan 4.420 nan 0.000 0.217 285 P C 0.445 177.736 177.300 -0.016 0.000 1.158 285 P CA 1.602 64.703 63.100 0.002 0.000 0.887 285 P CB 0.208 31.916 31.700 0.014 0.000 0.792 286 Q N -3.344 116.530 119.800 0.123 0.000 2.280 286 Q HA 0.050 4.391 4.340 0.001 0.000 0.202 286 Q C -0.422 175.665 176.000 0.146 0.000 0.903 286 Q CA 0.123 55.997 55.803 0.118 0.000 0.948 286 Q CB 0.087 28.945 28.738 0.200 0.000 1.058 286 Q HN 0.340 nan 8.270 nan 0.000 0.493 287 W N -0.501 120.900 121.300 0.167 0.000 3.107 287 W HA 0.641 5.301 4.660 0.001 0.000 0.331 287 W C -0.963 175.598 176.519 0.069 0.000 1.204 287 W CA -0.674 56.794 57.345 0.206 0.000 1.184 287 W CB 1.494 31.026 29.460 0.120 0.000 1.421 287 W HN -0.199 nan 8.180 nan 0.000 0.544 288 A N 2.797 125.848 122.820 0.384 0.000 2.539 288 A HA 0.892 5.213 4.320 0.001 0.000 0.296 288 A C -1.977 175.574 177.584 -0.056 0.000 1.073 288 A CA -0.832 51.233 52.037 0.047 0.000 0.700 288 A CB 1.806 20.798 19.000 -0.014 0.000 1.296 288 A HN 0.796 nan 8.150 nan 0.000 0.405 289 I N 2.214 122.608 120.570 -0.293 0.000 2.571 289 I HA 0.543 4.713 4.170 0.001 0.000 0.289 289 I C -1.227 174.625 176.117 -0.441 0.000 1.115 289 I CA -0.528 60.566 61.300 -0.343 0.000 1.045 289 I CB 1.395 39.340 38.000 -0.091 0.000 1.238 289 I HN 0.945 nan 8.210 nan 0.000 0.424 290 H N 5.458 124.386 119.070 -0.236 0.000 2.812 290 H HA 0.707 5.263 4.556 0.001 0.000 0.355 290 H C -1.709 173.524 175.328 -0.157 0.000 1.207 290 H CA -0.865 54.953 56.048 -0.384 0.000 1.217 290 H CB 1.819 31.456 29.762 -0.210 0.000 1.874 290 H HN 0.588 nan 8.280 nan 0.000 0.581 291 Y N -1.658 118.739 120.300 0.162 0.000 2.365 291 Y HA 0.409 4.959 4.550 0.001 0.000 0.324 291 Y C -1.141 174.833 175.900 0.125 0.000 1.330 291 Y CA -0.880 57.289 58.100 0.115 0.000 1.271 291 Y CB 0.336 38.841 38.460 0.075 0.000 1.306 291 Y HN 0.947 nan 8.280 nan 0.000 0.451 292 S N 3.012 118.892 115.700 0.300 0.000 2.745 292 S HA 0.933 5.404 4.470 0.001 0.000 0.306 292 S C -1.897 172.819 174.600 0.194 0.000 1.137 292 S CA -0.721 57.617 58.200 0.230 0.000 0.900 292 S CB 2.340 65.631 63.200 0.152 0.000 1.176 292 S HN 1.505 nan 8.310 nan 0.000 0.520 293 L N 0.863 122.187 121.223 0.169 0.000 2.580 293 L HA 0.839 5.180 4.340 0.001 0.000 0.266 293 L C -0.718 176.254 176.870 0.171 0.000 0.955 293 L CA -0.312 54.620 54.840 0.153 0.000 0.886 293 L CB 1.092 43.231 42.059 0.133 0.000 1.263 293 L HN 1.187 nan 8.230 nan 0.000 0.406 294 A N 4.107 127.030 122.820 0.172 0.000 2.337 294 A HA 0.779 5.099 4.320 0.001 0.000 0.331 294 A C -1.813 175.938 177.584 0.278 0.000 1.137 294 A CA -0.407 51.740 52.037 0.185 0.000 0.807 294 A CB 1.098 20.147 19.000 0.083 0.000 1.250 294 A HN 0.784 nan 8.150 nan 0.000 0.468 295 Y N 1.122 121.525 120.300 0.171 0.000 2.541 295 Y HA 0.335 4.886 4.550 0.001 0.000 0.350 295 Y C -0.193 175.824 175.900 0.194 0.000 1.075 295 Y CA -0.098 58.125 58.100 0.204 0.000 1.302 295 Y CB 1.362 39.953 38.460 0.218 0.000 1.094 295 Y HN 0.577 nan 8.280 nan 0.000 0.579 296 T N 2.859 117.442 114.554 0.049 0.000 2.739 296 T HA 0.131 4.481 4.350 0.001 0.000 0.298 296 T C 0.305 174.968 174.700 -0.062 0.000 0.929 296 T CA -0.217 61.874 62.100 -0.014 0.000 1.014 296 T CB 0.414 69.279 68.868 -0.004 0.000 0.914 296 T HN 0.512 nan 8.240 nan 0.000 0.509 297 S N 3.303 118.998 115.700 -0.008 0.000 2.670 297 S HA 0.021 4.491 4.470 0.001 0.000 0.328 297 S C 0.387 174.946 174.600 -0.068 0.000 1.179 297 S CA -0.463 57.774 58.200 0.061 0.000 1.194 297 S CB -0.257 63.058 63.200 0.192 0.000 1.359 297 S HN 0.747 nan 8.310 nan 0.000 0.555 298 W N 1.729 123.057 121.300 0.047 0.000 3.292 298 W HA 0.094 4.755 4.660 0.001 0.000 0.263 298 W C 1.963 178.561 176.519 0.132 0.000 1.318 298 W CA -0.209 57.187 57.345 0.086 0.000 1.663 298 W CB -0.291 29.273 29.460 0.173 0.000 1.114 298 W HN 0.512 nan 8.180 nan 0.000 0.706 299 S N 0.104 115.964 115.700 0.268 0.000 2.383 299 S HA -0.227 4.244 4.470 0.001 0.000 0.227 299 S C 1.739 176.427 174.600 0.147 0.000 1.026 299 S CA 1.170 59.495 58.200 0.207 0.000 0.981 299 S CB -0.332 62.975 63.200 0.178 0.000 0.818 299 S HN 0.425 nan 8.310 nan 0.000 0.472 300 Q N -0.313 119.550 119.800 0.105 0.000 2.248 300 Q HA -0.098 4.243 4.340 0.001 0.000 0.208 300 Q C 0.207 176.254 176.000 0.079 0.000 0.984 300 Q CA 0.734 56.567 55.803 0.051 0.000 0.875 300 Q CB -0.234 28.483 28.738 -0.034 0.000 0.910 300 Q HN 0.505 nan 8.270 nan 0.000 0.433 301 F N 1.864 121.773 119.950 -0.068 0.000 2.351 301 F HA 0.138 4.666 4.527 0.001 0.000 0.362 301 F C 0.812 176.547 175.800 -0.108 0.000 1.131 301 F CA -0.435 57.498 58.000 -0.112 0.000 1.187 301 F CB 0.497 39.410 39.000 -0.144 0.000 1.434 301 F HN -0.164 nan 8.300 nan 0.000 0.553 302 Q N 3.184 122.773 119.800 -0.351 0.000 2.063 302 Q HA 0.042 4.382 4.340 0.001 0.000 0.194 302 Q C 0.268 175.964 176.000 -0.507 0.000 0.974 302 Q CA 1.179 56.791 55.803 -0.318 0.000 0.827 302 Q CB 0.103 28.779 28.738 -0.103 0.000 0.902 302 Q HN 0.817 nan 8.270 nan 0.000 0.462 303 Q N -1.297 118.227 119.800 -0.460 0.000 2.831 303 Q HA 0.662 5.002 4.340 0.001 0.000 0.322 303 Q C -1.259 174.569 176.000 -0.286 0.000 0.923 303 Q CA -0.726 54.860 55.803 -0.362 0.000 0.767 303 Q CB 1.291 29.959 28.738 -0.115 0.000 1.469 303 Q HN 0.034 nan 8.270 nan 0.000 0.496 304 L N 0.716 121.857 121.223 -0.136 0.000 2.457 304 L HA 0.567 4.907 4.340 0.001 0.000 0.266 304 L C -1.176 175.699 176.870 0.008 0.000 0.979 304 L CA -0.413 54.428 54.840 0.002 0.000 0.857 304 L CB 2.045 44.159 42.059 0.092 0.000 1.213 304 L HN 0.579 nan 8.230 nan 0.000 0.418 305 K N 2.744 123.171 120.400 0.045 0.000 2.394 305 K HA 0.748 5.069 4.320 0.001 0.000 0.260 305 K C -0.689 175.971 176.600 0.101 0.000 0.967 305 K CA -0.390 55.921 56.287 0.040 0.000 0.855 305 K CB 1.784 34.294 32.500 0.016 0.000 1.101 305 K HN 0.600 nan 8.250 nan 0.000 0.433 306 A N 3.249 126.148 122.820 0.132 0.000 2.252 306 A HA 0.395 4.715 4.320 0.001 0.000 0.309 306 A C 0.095 177.698 177.584 0.032 0.000 1.285 306 A CA -0.455 51.650 52.037 0.114 0.000 0.900 306 A CB 0.389 19.476 19.000 0.145 0.000 1.157 306 A HN 0.806 nan 8.150 nan 0.000 0.536 307 T N -0.146 114.452 114.554 0.073 0.000 2.844 307 T HA 0.800 5.150 4.350 0.001 0.000 0.274 307 T C 0.313 175.051 174.700 0.064 0.000 0.991 307 T CA 0.010 62.127 62.100 0.029 0.000 0.983 307 T CB 1.108 69.987 68.868 0.019 0.000 1.310 307 T HN 1.005 nan 8.240 nan 0.000 0.596 308 S N -0.582 115.121 115.700 0.005 0.000 2.664 308 S HA 0.403 4.874 4.470 0.001 0.000 0.304 308 S C 1.478 176.018 174.600 -0.100 0.000 1.099 308 S CA -0.226 57.996 58.200 0.037 0.000 1.003 308 S CB 0.862 64.067 63.200 0.009 0.000 1.092 308 S HN 1.025 nan 8.310 nan 0.000 0.525 309 T N -0.967 113.568 114.554 -0.031 0.000 2.896 309 T HA -0.172 4.178 4.350 0.001 0.000 0.270 309 T C 1.523 176.091 174.700 -0.219 0.000 1.104 309 T CA 1.635 63.614 62.100 -0.202 0.000 1.115 309 T CB -0.977 67.924 68.868 0.054 0.000 0.843 309 T HN 0.782 nan 8.240 nan 0.000 0.523 310 S N -0.098 115.525 115.700 -0.127 0.000 2.517 310 S HA 0.522 4.993 4.470 0.001 0.000 0.214 310 S C 1.875 176.414 174.600 -0.101 0.000 0.991 310 S CA 0.203 58.346 58.200 -0.093 0.000 0.906 310 S CB 0.033 63.207 63.200 -0.043 0.000 0.789 310 S HN 1.116 nan 8.310 nan 0.000 0.513 311 G N 0.978 109.702 108.800 -0.126 0.000 2.179 311 G HA2 -0.157 3.803 3.960 0.001 0.000 0.220 311 G HA3 -0.157 3.803 3.960 0.001 0.000 0.220 311 G C -0.624 174.240 174.900 -0.060 0.000 0.990 311 G CA -0.125 44.917 45.100 -0.097 0.000 0.646 311 G HN 0.493 nan 8.290 nan 0.000 0.517 312 D N 1.550 121.919 120.400 -0.051 0.000 2.304 312 D HA 0.505 5.145 4.640 0.001 0.000 0.250 312 D C 0.736 177.011 176.300 -0.043 0.000 1.107 312 D CA 0.352 54.330 54.000 -0.038 0.000 0.885 312 D CB 1.076 41.859 40.800 -0.029 0.000 1.192 312 D HN 0.041 nan 8.370 nan 0.000 0.436 313 T N 2.528 117.058 114.554 -0.039 0.000 2.902 313 T HA 0.063 4.414 4.350 0.001 0.000 0.301 313 T C 1.129 175.789 174.700 -0.067 0.000 1.012 313 T CA -0.065 62.008 62.100 -0.044 0.000 1.151 313 T CB 0.562 69.406 68.868 -0.040 0.000 0.946 313 T HN 0.156 nan 8.240 nan 0.000 0.542 314 L N 2.588 123.750 121.223 -0.101 0.000 2.547 314 L HA 0.514 4.855 4.340 0.001 0.000 0.218 314 L C -0.097 176.708 176.870 -0.108 0.000 1.048 314 L CA 0.596 55.303 54.840 -0.221 0.000 0.859 314 L CB 0.256 42.013 42.059 -0.503 0.000 1.128 314 L HN 0.649 nan 8.230 nan 0.000 0.483 315 F N 0.543 120.381 119.950 -0.186 0.000 2.689 315 F HA 0.501 5.028 4.527 0.001 0.000 0.332 315 F C -0.863 174.912 175.800 -0.042 0.000 1.209 315 F CA -0.579 57.372 58.000 -0.082 0.000 1.028 315 F CB 0.991 39.958 39.000 -0.055 0.000 1.291 315 F HN -0.091 nan 8.300 nan 0.000 0.500 316 Q N 6.251 125.721 119.800 -0.550 0.000 2.337 316 Q HA 0.327 4.667 4.340 0.001 0.000 0.260 316 Q C -1.758 173.992 176.000 -0.416 0.000 0.982 316 Q CA -0.812 54.757 55.803 -0.391 0.000 0.734 316 Q CB 1.351 29.985 28.738 -0.174 0.000 1.272 316 Q HN 0.455 nan 8.270 nan 0.000 0.461 317 K N 2.890 123.049 120.400 -0.402 0.000 2.339 317 K HA 0.198 4.518 4.320 0.001 0.000 0.264 317 K C -1.432 175.119 176.600 -0.083 0.000 0.986 317 K CA -0.706 55.444 56.287 -0.230 0.000 0.866 317 K CB 0.854 33.224 32.500 -0.217 0.000 1.103 317 K HN 0.757 nan 8.250 nan 0.000 0.441 318 H N 3.380 122.384 119.070 -0.109 0.000 2.819 318 H HA 0.099 4.656 4.556 0.001 0.000 0.303 318 H C 0.508 175.819 175.328 -0.028 0.000 1.058 318 H CA 0.537 56.536 56.048 -0.081 0.000 1.471 318 H CB 0.833 30.565 29.762 -0.050 0.000 1.480 318 H HN 0.582 nan 8.280 nan 0.000 0.517 319 E N 3.463 123.384 120.200 -0.465 0.000 2.121 319 E HA 0.132 4.483 4.350 0.001 0.000 0.194 319 E C 0.923 177.357 176.600 -0.277 0.000 0.940 319 E CA 0.698 56.979 56.400 -0.199 0.000 0.884 319 E CB -0.206 29.358 29.700 -0.226 0.000 0.874 319 E HN 0.941 nan 8.360 nan 0.000 0.471 320 G N 2.923 111.468 108.800 -0.424 0.000 2.351 320 G HA2 -0.264 3.696 3.960 0.001 0.000 0.297 320 G HA3 -0.264 3.696 3.960 0.001 0.000 0.297 320 G C 0.075 175.111 174.900 0.227 0.000 1.054 320 G CA 0.357 45.350 45.100 -0.179 0.000 1.123 320 G HN 0.111 nan 8.290 nan 0.000 0.512 321 F N -0.152 119.824 119.950 0.044 0.000 2.299 321 F HA 0.543 5.070 4.527 0.001 0.000 0.293 321 F C 1.156 177.037 175.800 0.136 0.000 1.252 321 F CA -0.082 57.988 58.000 0.117 0.000 1.160 321 F CB 0.825 39.970 39.000 0.241 0.000 1.405 321 F HN 0.359 nan 8.300 nan 0.000 0.517 322 K N -0.911 119.702 120.400 0.354 0.000 2.509 322 K HA 0.339 4.659 4.320 0.001 0.000 0.266 322 K C -1.926 174.818 176.600 0.241 0.000 0.987 322 K CA -1.084 55.352 56.287 0.248 0.000 0.868 322 K CB 0.772 33.363 32.500 0.152 0.000 1.421 322 K HN 0.135 nan 8.250 nan 0.000 0.444 323 D N 0.484 120.997 120.400 0.188 0.000 2.601 323 D HA 0.234 4.874 4.640 0.001 0.000 0.229 323 D C -0.515 175.762 176.300 -0.039 0.000 1.140 323 D CA 0.883 54.924 54.000 0.067 0.000 0.862 323 D CB 0.531 41.356 40.800 0.043 0.000 1.192 323 D HN 0.716 nan 8.370 nan 0.000 0.480 324 A N 1.708 124.453 122.820 -0.126 0.000 2.454 324 A HA 0.625 4.946 4.320 0.001 0.000 0.302 324 A C -1.190 176.255 177.584 -0.232 0.000 1.079 324 A CA -0.907 51.027 52.037 -0.172 0.000 0.731 324 A CB 1.154 20.082 19.000 -0.121 0.000 1.299 324 A HN 0.493 nan 8.150 nan 0.000 0.413 325 Y N -0.172 120.008 120.300 -0.200 0.000 2.596 325 Y HA 0.901 5.451 4.550 0.001 0.000 0.326 325 Y C -0.177 175.635 175.900 -0.147 0.000 1.167 325 Y CA -1.650 56.372 58.100 -0.129 0.000 1.246 325 Y CB 1.124 39.577 38.460 -0.012 0.000 1.347 325 Y HN 0.761 nan 8.280 nan 0.000 0.515 326 R N 2.021 122.677 120.500 0.261 0.000 2.659 326 R HA 0.470 4.811 4.340 0.001 0.000 0.290 326 R C -2.628 173.758 176.300 0.143 0.000 1.253 326 R CA -0.272 55.869 56.100 0.068 0.000 1.010 326 R CB 0.438 30.704 30.300 -0.056 0.000 1.236 326 R HN 0.755 nan 8.270 nan 0.000 0.413 327 I N 3.677 124.359 120.570 0.188 0.000 2.339 327 I HA 0.683 4.854 4.170 0.001 0.000 0.290 327 I C -0.035 176.162 176.117 0.134 0.000 0.994 327 I CA -0.631 60.775 61.300 0.177 0.000 1.191 327 I CB 1.183 39.322 38.000 0.230 0.000 1.343 327 I HN 0.835 nan 8.210 nan 0.000 0.458 328 A N 6.930 129.817 122.820 0.110 0.000 2.413 328 A HA 0.933 5.254 4.320 0.001 0.000 0.307 328 A C -1.454 176.221 177.584 0.150 0.000 1.087 328 A CA -0.516 51.577 52.037 0.093 0.000 0.750 328 A CB 2.457 21.473 19.000 0.027 0.000 1.296 328 A HN 0.572 nan 8.150 nan 0.000 0.423 329 L N 0.326 121.631 121.223 0.136 0.000 2.556 329 L HA 0.897 5.238 4.340 0.001 0.000 0.257 329 L C -0.319 176.604 176.870 0.087 0.000 0.955 329 L CA 0.822 55.746 54.840 0.140 0.000 0.850 329 L CB 1.964 44.098 42.059 0.124 0.000 1.398 329 L HN 1.759 nan 8.230 nan 0.000 0.412 330 G N 0.720 109.522 108.800 0.003 0.000 2.387 330 G HA2 0.553 4.513 3.960 0.001 0.000 0.294 330 G HA3 0.553 4.513 3.960 0.001 0.000 0.294 330 G C -1.265 173.411 174.900 -0.373 0.000 1.509 330 G CA 0.068 45.133 45.100 -0.058 0.000 0.806 330 G HN 0.960 nan 8.290 nan 0.000 0.546 331 T N -2.198 112.265 114.554 -0.151 0.000 2.940 331 T HA 0.844 5.194 4.350 0.001 0.000 0.288 331 T C -0.417 174.371 174.700 0.146 0.000 1.045 331 T CA -0.675 61.349 62.100 -0.127 0.000 1.018 331 T CB 2.252 71.245 68.868 0.207 0.000 1.151 331 T HN 0.633 nan 8.240 nan 0.000 0.529 332 T N 1.798 116.523 114.554 0.285 0.000 2.881 332 T HA 0.461 4.811 4.350 0.001 0.000 0.290 332 T C -2.016 172.829 174.700 0.242 0.000 1.000 332 T CA -0.447 61.808 62.100 0.258 0.000 0.978 332 T CB 0.891 69.924 68.868 0.274 0.000 0.997 332 T HN 0.626 nan 8.240 nan 0.000 0.443 333 Y N 3.542 123.731 120.300 -0.186 0.000 2.356 333 Y HA 0.443 4.994 4.550 0.001 0.000 0.334 333 Y C -1.278 174.530 175.900 -0.153 0.000 0.958 333 Y CA -2.127 55.649 58.100 -0.541 0.000 1.196 333 Y CB 0.386 38.242 38.460 -1.006 0.000 1.137 333 Y HN 0.611 nan 8.280 nan 0.000 0.485 334 Y N 7.624 127.725 120.300 -0.331 0.000 2.830 334 Y HA 0.068 4.619 4.550 0.001 0.000 0.371 334 Y C 1.319 176.982 175.900 -0.394 0.000 1.246 334 Y CA -0.780 57.160 58.100 -0.268 0.000 1.890 334 Y CB -1.169 37.209 38.460 -0.137 0.000 1.995 334 Y HN 0.790 nan 8.280 nan 0.000 0.430 335 Y N 1.919 121.825 120.300 -0.656 0.000 1.929 335 Y HA -0.405 4.146 4.550 0.001 0.000 0.247 335 Y C 0.850 176.636 175.900 -0.190 0.000 1.176 335 Y CA 2.183 59.937 58.100 -0.577 0.000 1.075 335 Y CB 0.163 38.535 38.460 -0.146 0.000 0.907 335 Y HN 0.513 nan 8.280 nan 0.000 0.499 336 D N -3.639 116.844 120.400 0.138 0.000 2.744 336 D HA 0.140 4.780 4.640 0.001 0.000 0.304 336 D C 0.265 176.576 176.300 0.018 0.000 1.179 336 D CA -0.030 54.001 54.000 0.052 0.000 1.024 336 D CB -0.149 40.736 40.800 0.142 0.000 1.453 336 D HN 0.017 nan 8.370 nan 0.000 0.529 337 D N -0.901 119.486 120.400 -0.021 0.000 2.280 337 D HA -0.135 4.506 4.640 0.001 0.000 0.206 337 D C 0.696 176.883 176.300 -0.188 0.000 0.988 337 D CA 1.082 55.033 54.000 -0.081 0.000 0.886 337 D CB 0.131 40.889 40.800 -0.071 0.000 0.914 337 D HN 0.296 nan 8.370 nan 0.000 0.473 338 N N -0.752 117.813 118.700 -0.225 0.000 2.531 338 N HA -0.026 4.714 4.740 0.001 0.000 0.223 338 N C 0.259 175.394 175.510 -0.625 0.000 1.023 338 N CA 0.020 52.724 53.050 -0.575 0.000 1.124 338 N CB -0.546 37.529 38.487 -0.687 0.000 1.427 338 N HN 0.101 nan 8.380 nan 0.000 0.558 339 W N 2.512 123.669 121.300 -0.238 0.000 2.264 339 W HA 0.152 4.813 4.660 0.001 0.000 0.331 339 W C -0.046 176.188 176.519 -0.475 0.000 1.364 339 W CA 0.238 57.362 57.345 -0.369 0.000 1.253 339 W CB 0.270 29.551 29.460 -0.299 0.000 1.215 339 W HN -0.091 nan 8.180 nan 0.000 0.561 340 T N 3.868 118.125 114.554 -0.494 0.000 2.879 340 T HA 0.555 4.906 4.350 0.001 0.000 0.290 340 T C -1.155 173.171 174.700 -0.623 0.000 0.993 340 T CA -0.780 61.024 62.100 -0.495 0.000 0.975 340 T CB 0.810 69.391 68.868 -0.478 0.000 0.981 340 T HN 0.030 nan 8.240 nan 0.000 0.439 341 F N 2.423 122.293 119.950 -0.133 0.000 2.532 341 F HA 0.739 5.267 4.527 0.001 0.000 0.321 341 F C 0.556 176.340 175.800 -0.027 0.000 1.089 341 F CA -1.078 56.898 58.000 -0.039 0.000 0.926 341 F CB 2.006 41.020 39.000 0.024 0.000 1.168 341 F HN 0.497 nan 8.300 nan 0.000 0.459 342 R N 0.616 121.231 120.500 0.192 0.000 2.668 342 R HA 0.892 5.233 4.340 0.001 0.000 0.272 342 R C -1.799 174.588 176.300 0.145 0.000 1.019 342 R CA -0.759 55.430 56.100 0.148 0.000 0.894 342 R CB 2.237 32.582 30.300 0.074 0.000 1.228 342 R HN 0.597 nan 8.270 nan 0.000 0.460 343 T N 0.053 114.696 114.554 0.148 0.000 2.868 343 T HA 0.793 5.143 4.350 0.001 0.000 0.306 343 T C -1.131 173.634 174.700 0.108 0.000 1.224 343 T CA -0.365 61.806 62.100 0.118 0.000 1.012 343 T CB 2.111 71.051 68.868 0.120 0.000 1.221 343 T HN 0.921 nan 8.240 nan 0.000 0.499 344 G N 0.724 109.576 108.800 0.087 0.000 2.632 344 G HA2 0.654 4.615 3.960 0.001 0.000 0.292 344 G HA3 0.654 4.615 3.960 0.001 0.000 0.292 344 G C -1.994 172.945 174.900 0.065 0.000 1.465 344 G CA -0.570 44.580 45.100 0.084 0.000 0.824 344 G HN 0.733 nan 8.290 nan 0.000 0.509 345 I N 0.444 121.053 120.570 0.066 0.000 2.603 345 I HA 0.743 4.914 4.170 0.001 0.000 0.300 345 I C 0.172 176.329 176.117 0.067 0.000 1.017 345 I CA -0.887 60.435 61.300 0.037 0.000 1.098 345 I CB 2.088 40.152 38.000 0.107 0.000 1.279 345 I HN 0.807 nan 8.210 nan 0.000 0.437 346 A N 5.407 128.253 122.820 0.044 0.000 2.574 346 A HA 0.798 5.119 4.320 0.001 0.000 0.297 346 A C -1.872 175.856 177.584 0.241 0.000 1.062 346 A CA -0.360 51.700 52.037 0.038 0.000 0.686 346 A CB 1.901 20.721 19.000 -0.300 0.000 1.285 346 A HN 0.510 nan 8.150 nan 0.000 0.403 347 F N 2.317 122.317 119.950 0.083 0.000 2.588 347 F HA 0.638 5.165 4.527 0.001 0.000 0.314 347 F C -1.905 173.941 175.800 0.077 0.000 1.134 347 F CA -1.133 56.981 58.000 0.190 0.000 0.961 347 F CB 2.078 41.257 39.000 0.298 0.000 1.239 347 F HN 0.729 nan 8.300 nan 0.000 0.448 348 D N 4.198 124.127 120.400 -0.784 0.000 2.947 348 D HA 0.212 4.852 4.640 0.001 0.000 0.224 348 D C -1.139 174.609 176.300 -0.919 0.000 1.230 348 D CA -0.482 53.029 54.000 -0.815 0.000 0.871 348 D CB 1.678 42.247 40.800 -0.384 0.000 1.671 348 D HN 0.364 nan 8.370 nan 0.000 0.507 349 D N 0.245 120.015 120.400 -1.051 0.000 2.443 349 D HA 0.038 4.678 4.640 0.001 0.000 0.234 349 D C -0.334 175.693 176.300 -0.455 0.000 1.172 349 D CA 0.529 54.066 54.000 -0.772 0.000 0.878 349 D CB 0.881 41.177 40.800 -0.839 0.000 1.204 349 D HN 0.318 nan 8.370 nan 0.000 0.453 350 S N 2.374 117.868 115.700 -0.344 0.000 2.422 350 S HA 0.306 4.776 4.470 0.001 0.000 0.298 350 S C -1.756 172.647 174.600 -0.328 0.000 1.118 350 S CA -1.438 56.569 58.200 -0.323 0.000 1.083 350 S CB 1.453 64.504 63.200 -0.249 0.000 0.971 350 S HN 0.139 nan 8.310 nan 0.000 0.478 351 P HA -0.059 nan 4.420 nan 0.000 0.216 351 P C -0.049 177.059 177.300 -0.320 0.000 1.153 351 P CA 0.512 63.443 63.100 -0.282 0.000 0.848 351 P CB -0.019 31.491 31.700 -0.317 0.000 0.787 352 V N 2.360 121.873 119.914 -0.668 0.000 2.434 352 V HA 0.023 4.143 4.120 0.001 0.000 0.281 352 V C -2.035 173.890 176.094 -0.282 0.000 1.005 352 V CA -0.920 60.992 62.300 -0.647 0.000 1.089 352 V CB -0.388 30.943 31.823 -0.821 0.000 0.978 352 V HN 0.078 nan 8.190 nan 0.000 0.474 353 P HA 0.260 nan 4.420 nan 0.000 0.276 353 P C -0.255 177.017 177.300 -0.046 0.000 1.230 353 P CA -0.344 62.720 63.100 -0.060 0.000 0.776 353 P CB 0.742 32.443 31.700 0.000 0.000 0.888 354 A N 4.099 126.902 122.820 -0.028 0.000 2.752 354 A HA 0.120 4.440 4.320 0.001 0.000 0.292 354 A C 0.733 178.326 177.584 0.015 0.000 1.597 354 A CA 0.632 52.664 52.037 -0.009 0.000 1.241 354 A CB -1.428 17.573 19.000 0.001 0.000 1.061 354 A HN 0.761 nan 8.150 nan 0.000 0.576 355 Q N -0.582 119.231 119.800 0.021 0.000 1.929 355 Q HA -0.030 4.311 4.340 0.001 0.000 0.134 355 Q C -0.207 175.827 176.000 0.057 0.000 0.791 355 Q CA 0.595 56.425 55.803 0.045 0.000 0.585 355 Q CB -1.131 27.636 28.738 0.048 0.000 0.994 355 Q HN 0.609 nan 8.270 nan 0.000 0.370 356 N N -0.036 118.683 118.700 0.033 0.000 2.118 356 N HA 0.243 4.984 4.740 0.001 0.000 0.226 356 N C -0.766 174.743 175.510 -0.002 0.000 1.305 356 N CA -0.562 52.510 53.050 0.037 0.000 0.890 356 N CB 0.871 39.378 38.487 0.033 0.000 1.118 356 N HN 0.017 nan 8.380 nan 0.000 0.511 357 R N 1.472 121.958 120.500 -0.022 0.000 2.491 357 R HA 0.260 4.600 4.340 0.001 0.000 0.283 357 R C -0.104 176.197 176.300 0.002 0.000 1.072 357 R CA 0.184 56.255 56.100 -0.047 0.000 1.048 357 R CB 0.872 31.147 30.300 -0.042 0.000 0.983 357 R HN 0.022 nan 8.270 nan 0.000 0.450 358 S N 2.634 118.328 115.700 -0.010 0.000 2.575 358 S HA 0.171 4.641 4.470 0.001 0.000 0.278 358 S C 1.080 175.637 174.600 -0.073 0.000 1.139 358 S CA -1.033 57.153 58.200 -0.024 0.000 0.954 358 S CB 0.929 64.141 63.200 0.020 0.000 1.054 358 S HN 0.743 nan 8.310 nan 0.000 0.483 359 I N 1.113 121.566 120.570 -0.195 0.000 2.576 359 I HA -0.127 4.043 4.170 0.001 0.000 0.263 359 I C 1.877 177.970 176.117 -0.041 0.000 1.183 359 I CA 1.787 62.979 61.300 -0.180 0.000 1.432 359 I CB -0.590 37.113 38.000 -0.494 0.000 1.100 359 I HN 0.572 nan 8.210 nan 0.000 0.452 360 S N 0.790 116.448 115.700 -0.070 0.000 2.436 360 S HA 0.225 4.696 4.470 0.001 0.000 0.228 360 S C 1.225 175.860 174.600 0.058 0.000 1.014 360 S CA 0.497 58.702 58.200 0.009 0.000 0.950 360 S CB -0.189 63.009 63.200 -0.003 0.000 0.784 360 S HN 0.559 nan 8.310 nan 0.000 0.504 361 I N 1.845 122.452 120.570 0.062 0.000 2.998 361 I HA 0.263 4.434 4.170 0.001 0.000 0.338 361 I C -2.745 173.381 176.117 0.015 0.000 1.413 361 I CA -1.888 59.462 61.300 0.084 0.000 0.880 361 I CB 1.087 39.214 38.000 0.212 0.000 2.051 361 I HN -0.104 nan 8.210 nan 0.000 0.561 362 P HA -0.042 nan 4.420 nan 0.000 0.243 362 P C -0.623 176.638 177.300 -0.066 0.000 1.134 362 P CA 0.773 63.854 63.100 -0.031 0.000 1.109 362 P CB -0.049 31.640 31.700 -0.018 0.000 1.140 363 D N 2.074 122.407 120.400 -0.112 0.000 2.457 363 D HA 0.422 5.063 4.640 0.001 0.000 0.240 363 D C -0.748 175.459 176.300 -0.154 0.000 1.041 363 D CA -0.451 53.458 54.000 -0.152 0.000 0.861 363 D CB 1.339 41.998 40.800 -0.235 0.000 1.394 363 D HN 0.175 nan 8.370 nan 0.000 0.473 364 Q N 1.753 121.473 119.800 -0.132 0.000 2.648 364 Q HA 0.341 4.681 4.340 0.001 0.000 0.300 364 Q C -1.042 174.912 176.000 -0.077 0.000 0.954 364 Q CA -0.813 54.931 55.803 -0.097 0.000 0.757 364 Q CB 0.607 29.311 28.738 -0.057 0.000 1.482 364 Q HN 0.366 nan 8.270 nan 0.000 0.437 365 D N 0.885 121.274 120.400 -0.018 0.000 2.341 365 D HA 0.062 4.703 4.640 0.001 0.000 0.233 365 D C -0.357 176.008 176.300 0.109 0.000 1.270 365 D CA 0.643 54.670 54.000 0.046 0.000 0.883 365 D CB 0.547 41.536 40.800 0.314 0.000 1.207 365 D HN 0.270 nan 8.370 nan 0.000 0.471 366 R N 0.446 121.049 120.500 0.171 0.000 2.510 366 R HA 0.239 4.579 4.340 0.001 0.000 0.294 366 R C -1.044 175.597 176.300 0.568 0.000 1.056 366 R CA -0.724 55.542 56.100 0.277 0.000 0.918 366 R CB 1.176 31.616 30.300 0.234 0.000 1.187 366 R HN 0.251 nan 8.270 nan 0.000 0.437 367 F N 3.324 123.470 119.950 0.327 0.000 2.404 367 F HA 0.444 4.971 4.527 0.001 0.000 0.354 367 F C -1.065 174.890 175.800 0.259 0.000 1.122 367 F CA -1.253 56.944 58.000 0.330 0.000 1.080 367 F CB 0.639 39.726 39.000 0.145 0.000 1.131 367 F HN 0.429 nan 8.300 nan 0.000 0.471 368 W N 7.398 128.350 121.300 -0.580 0.000 2.478 368 W HA 0.617 5.277 4.660 0.001 0.000 0.318 368 W C -1.462 174.608 176.519 -0.749 0.000 1.062 368 W CA -0.837 56.168 57.345 -0.566 0.000 1.210 368 W CB 1.457 30.769 29.460 -0.246 0.000 1.325 368 W HN 0.226 nan 8.180 nan 0.000 0.496 369 L N 3.297 124.322 121.223 -0.330 0.000 2.381 369 L HA 0.667 5.008 4.340 0.001 0.000 0.274 369 L C -0.434 176.390 176.870 -0.078 0.000 0.988 369 L CA -0.436 54.284 54.840 -0.200 0.000 0.824 369 L CB 1.711 43.695 42.059 -0.125 0.000 1.263 369 L HN 0.325 nan 8.230 nan 0.000 0.410 370 S N 2.091 117.794 115.700 0.004 0.000 2.541 370 S HA 0.980 5.451 4.470 0.001 0.000 0.271 370 S C -1.148 173.488 174.600 0.060 0.000 1.133 370 S CA -0.547 57.671 58.200 0.031 0.000 0.876 370 S CB 2.005 65.243 63.200 0.064 0.000 1.105 370 S HN 0.788 nan 8.310 nan 0.000 0.470 371 A N 0.828 123.692 122.820 0.073 0.000 2.515 371 A HA 1.041 5.362 4.320 0.001 0.000 0.296 371 A C -0.210 177.427 177.584 0.088 0.000 1.094 371 A CA -0.472 51.623 52.037 0.097 0.000 0.718 371 A CB 1.809 20.879 19.000 0.117 0.000 1.307 371 A HN 1.386 nan 8.150 nan 0.000 0.408 372 G N -1.052 107.807 108.800 0.098 0.000 2.576 372 G HA2 0.728 4.689 3.960 0.001 0.000 0.290 372 G HA3 0.728 4.689 3.960 0.001 0.000 0.290 372 G C -0.924 174.021 174.900 0.075 0.000 1.442 372 G CA 0.331 45.468 45.100 0.063 0.000 0.792 372 G HN 1.711 nan 8.290 nan 0.000 0.491 373 T N -1.637 112.922 114.554 0.007 0.000 2.894 373 T HA 0.746 5.096 4.350 0.001 0.000 0.309 373 T C -1.270 173.334 174.700 -0.160 0.000 1.208 373 T CA -0.334 61.713 62.100 -0.088 0.000 1.016 373 T CB 2.139 71.018 68.868 0.018 0.000 1.192 373 T HN 0.761 nan 8.240 nan 0.000 0.491 374 T N 3.662 118.047 114.554 -0.281 0.000 2.965 374 T HA 0.391 4.741 4.350 0.001 0.000 0.306 374 T C -1.666 172.766 174.700 -0.446 0.000 0.991 374 T CA -0.400 61.514 62.100 -0.310 0.000 1.001 374 T CB 0.458 69.145 68.868 -0.302 0.000 0.984 374 T HN 0.593 nan 8.240 nan 0.000 0.446 375 Y N 2.798 122.684 120.300 -0.690 0.000 2.308 375 Y HA 0.584 5.135 4.550 0.001 0.000 0.329 375 Y C -0.124 175.271 175.900 -0.842 0.000 1.111 375 Y CA -1.043 56.439 58.100 -1.030 0.000 1.179 375 Y CB 0.808 38.524 38.460 -1.239 0.000 1.201 375 Y HN 0.715 nan 8.280 nan 0.000 0.483 376 A N 6.974 129.034 122.820 -1.266 0.000 2.316 376 A HA 0.376 4.696 4.320 0.001 0.000 0.324 376 A C -0.001 177.054 177.584 -0.882 0.000 1.375 376 A CA -0.624 50.921 52.037 -0.820 0.000 0.882 376 A CB -0.529 18.156 19.000 -0.525 0.000 1.152 376 A HN 0.922 nan 8.150 nan 0.000 0.512 377 F N 1.965 121.699 119.950 -0.360 0.000 2.000 377 F HA -0.298 4.230 4.527 0.001 0.000 0.296 377 F C 2.313 178.013 175.800 -0.166 0.000 1.159 377 F CA 2.783 60.680 58.000 -0.171 0.000 1.183 377 F CB -0.232 38.781 39.000 0.023 0.000 0.959 377 F HN 0.682 nan 8.300 nan 0.000 0.490 378 N N -1.861 116.904 118.700 0.108 0.000 2.545 378 N HA 0.094 4.835 4.740 0.001 0.000 0.190 378 N C 1.010 176.489 175.510 -0.052 0.000 1.043 378 N CA 1.030 54.092 53.050 0.020 0.000 0.879 378 N CB 0.234 38.751 38.487 0.050 0.000 1.210 378 N HN 0.159 nan 8.380 nan 0.000 0.437 379 K N -2.194 118.166 120.400 -0.066 0.000 1.183 379 K HA -0.002 4.318 4.320 0.001 0.000 0.075 379 K C -0.548 175.990 176.600 -0.104 0.000 2.316 379 K CA 0.755 56.984 56.287 -0.097 0.000 0.936 379 K CB -0.971 31.482 32.500 -0.080 0.000 2.617 379 K HN 0.063 nan 8.250 nan 0.000 0.349 380 D N 0.251 120.589 120.400 -0.102 0.000 2.840 380 D HA 0.333 4.974 4.640 0.001 0.000 0.277 380 D C 0.473 176.714 176.300 -0.098 0.000 1.066 380 D CA 0.865 54.739 54.000 -0.210 0.000 0.979 380 D CB -0.113 40.464 40.800 -0.371 0.000 1.157 380 D HN 0.272 nan 8.370 nan 0.000 0.466 381 A N 0.437 123.306 122.820 0.081 0.000 2.462 381 A HA 0.491 4.812 4.320 0.001 0.000 0.243 381 A C 0.261 177.996 177.584 0.252 0.000 1.076 381 A CA 0.248 52.470 52.037 0.308 0.000 0.773 381 A CB 0.484 19.747 19.000 0.438 0.000 1.010 381 A HN 0.058 nan 8.150 nan 0.000 0.493 382 S N 0.480 116.345 115.700 0.275 0.000 2.535 382 S HA 0.545 5.015 4.470 0.001 0.000 0.272 382 S C -1.646 172.989 174.600 0.059 0.000 1.149 382 S CA -0.342 57.883 58.200 0.042 0.000 0.888 382 S CB 1.483 64.664 63.200 -0.031 0.000 1.110 382 S HN 1.683 nan 8.310 nan 0.000 0.463 383 V N 3.431 123.262 119.914 -0.138 0.000 2.709 383 V HA 0.682 4.803 4.120 0.001 0.000 0.308 383 V C -1.830 174.114 176.094 -0.251 0.000 1.062 383 V CA -0.548 61.620 62.300 -0.221 0.000 0.901 383 V CB 2.103 33.813 31.823 -0.189 0.000 1.003 383 V HN 0.983 nan 8.190 nan 0.000 0.425 384 D N 4.490 124.734 120.400 -0.259 0.000 2.498 384 D HA 0.626 5.267 4.640 0.001 0.000 0.247 384 D C -0.970 175.229 176.300 -0.167 0.000 1.070 384 D CA -0.114 53.768 54.000 -0.196 0.000 0.842 384 D CB 2.328 43.026 40.800 -0.171 0.000 1.361 384 D HN 0.325 nan 8.370 nan 0.000 0.484 385 V N 0.937 120.787 119.914 -0.107 0.000 2.525 385 V HA 0.806 4.927 4.120 0.001 0.000 0.299 385 V C 0.349 176.437 176.094 -0.011 0.000 1.034 385 V CA -0.670 61.601 62.300 -0.050 0.000 0.863 385 V CB 1.990 33.800 31.823 -0.021 0.000 0.999 385 V HN 0.667 nan 8.190 nan 0.000 0.423 386 G N 2.901 111.712 108.800 0.017 0.000 2.563 386 G HA2 0.749 4.710 3.960 0.001 0.000 0.302 386 G HA3 0.749 4.710 3.960 0.001 0.000 0.302 386 G C -1.698 173.266 174.900 0.107 0.000 1.301 386 G CA -0.652 44.467 45.100 0.032 0.000 0.965 386 G HN 0.577 nan 8.290 nan 0.000 0.480 387 V N 0.172 120.151 119.914 0.110 0.000 2.686 387 V HA 0.762 4.882 4.120 0.001 0.000 0.306 387 V C -0.328 175.784 176.094 0.031 0.000 1.065 387 V CA -0.819 61.574 62.300 0.154 0.000 0.894 387 V CB 1.840 33.870 31.823 0.346 0.000 1.004 387 V HN 0.802 nan 8.190 nan 0.000 0.424 388 S N 2.984 118.613 115.700 -0.119 0.000 2.571 388 S HA 0.726 5.197 4.470 0.001 0.000 0.284 388 S C -1.788 172.511 174.600 -0.500 0.000 1.128 388 S CA -0.419 57.621 58.200 -0.266 0.000 0.970 388 S CB 1.210 64.207 63.200 -0.338 0.000 1.039 388 S HN 0.723 nan 8.310 nan 0.000 0.485 389 Y N 5.659 125.515 120.300 -0.741 0.000 2.429 389 Y HA 0.753 5.304 4.550 0.001 0.000 0.342 389 Y C -0.774 174.643 175.900 -0.805 0.000 1.004 389 Y CA -1.168 56.276 58.100 -1.092 0.000 1.075 389 Y CB 1.438 39.108 38.460 -1.318 0.000 1.214 389 Y HN 0.723 nan 8.280 nan 0.000 0.455 390 M N 6.535 125.218 119.600 -1.529 0.000 2.182 390 M HA 0.342 4.823 4.480 0.001 0.000 0.266 390 M C -2.027 173.737 176.300 -0.894 0.000 0.989 390 M CA -0.713 53.899 55.300 -1.147 0.000 1.003 390 M CB 1.713 33.669 32.600 -1.072 0.000 1.812 390 M HN 0.716 nan 8.290 nan 0.000 0.472 391 H N 2.047 120.663 119.070 -0.757 0.000 2.473 391 H HA 0.789 5.345 4.556 0.001 0.000 0.327 391 H C -1.089 174.192 175.328 -0.078 0.000 1.105 391 H CA 0.275 56.126 56.048 -0.328 0.000 1.280 391 H CB 1.862 31.552 29.762 -0.119 0.000 1.450 391 H HN 1.017 nan 8.280 nan 0.000 0.492 392 G N 2.916 111.521 108.800 -0.325 0.000 2.498 392 G HA2 0.257 4.218 3.960 0.001 0.000 0.312 392 G HA3 0.257 4.218 3.960 0.001 0.000 0.312 392 G C -0.910 173.924 174.900 -0.110 0.000 1.230 392 G CA -0.742 44.305 45.100 -0.088 0.000 0.968 392 G HN 0.616 nan 8.290 nan 0.000 0.481 393 Q N 0.447 120.280 119.800 0.054 0.000 2.311 393 Q HA 0.358 4.699 4.340 0.001 0.000 0.272 393 Q C 0.327 176.331 176.000 0.008 0.000 1.012 393 Q CA 0.083 55.929 55.803 0.071 0.000 0.891 393 Q CB 0.477 29.258 28.738 0.071 0.000 1.201 393 Q HN 0.391 nan 8.270 nan 0.000 0.391 394 S N 2.719 118.434 115.700 0.025 0.000 2.564 394 S HA 0.527 4.997 4.470 0.001 0.000 0.278 394 S C -0.471 174.142 174.600 0.021 0.000 1.333 394 S CA -0.325 57.882 58.200 0.012 0.000 1.048 394 S CB 0.700 63.920 63.200 0.033 0.000 0.900 394 S HN 0.662 nan 8.310 nan 0.000 0.505 395 V N -0.400 119.526 119.914 0.020 0.000 3.114 395 V HA 0.736 4.856 4.120 0.001 0.000 0.308 395 V C -1.528 174.594 176.094 0.046 0.000 1.168 395 V CA -1.485 60.830 62.300 0.025 0.000 1.015 395 V CB 1.774 33.601 31.823 0.006 0.000 1.050 395 V HN 0.579 nan 8.190 nan 0.000 0.433 396 K N 2.580 123.012 120.400 0.052 0.000 2.172 396 K HA 0.736 5.056 4.320 0.001 0.000 0.276 396 K C -0.751 175.905 176.600 0.094 0.000 1.013 396 K CA -0.310 56.023 56.287 0.077 0.000 0.913 396 K CB 1.367 33.905 32.500 0.064 0.000 1.055 396 K HN 0.735 nan 8.250 nan 0.000 0.461 397 I N 2.863 123.525 120.570 0.154 0.000 2.389 397 I HA 0.230 4.401 4.170 0.001 0.000 0.288 397 I C -0.817 175.459 176.117 0.265 0.000 0.999 397 I CA -0.882 60.530 61.300 0.187 0.000 1.129 397 I CB 1.597 39.715 38.000 0.196 0.000 1.288 397 I HN 0.501 nan 8.210 nan 0.000 0.444 398 N N 6.157 124.975 118.700 0.196 0.000 2.626 398 N HA 0.307 5.047 4.740 0.001 0.000 0.242 398 N C -0.904 174.725 175.510 0.200 0.000 1.005 398 N CA -0.345 52.820 53.050 0.192 0.000 0.905 398 N CB 1.415 39.970 38.487 0.112 0.000 1.128 398 N HN 0.576 nan 8.380 nan 0.000 0.512 399 E N 0.764 121.148 120.200 0.306 0.000 2.288 399 E HA 0.594 4.945 4.350 0.001 0.000 0.268 399 E C 0.624 177.392 176.600 0.279 0.000 0.885 399 E CA -0.766 55.789 56.400 0.258 0.000 0.767 399 E CB 1.470 31.314 29.700 0.239 0.000 1.220 399 E HN 0.485 nan 8.360 nan 0.000 0.427 400 G N 4.188 113.078 108.800 0.150 0.000 2.594 400 G HA2 -0.272 3.688 3.960 0.001 0.000 0.297 400 G HA3 -0.272 3.688 3.960 0.001 0.000 0.297 400 G C -1.407 173.469 174.900 -0.040 0.000 1.273 400 G CA 0.229 45.353 45.100 0.041 0.000 0.974 400 G HN 0.631 nan 8.290 nan 0.000 0.552 401 P HA 0.236 nan 4.420 nan 0.000 0.267 401 P C 0.047 177.239 177.300 -0.181 0.000 1.289 401 P CA 0.255 63.219 63.100 -0.227 0.000 0.866 401 P CB 0.206 31.708 31.700 -0.331 0.000 1.309 402 Y N 0.088 120.384 120.300 -0.006 0.000 2.326 402 Y HA 0.392 4.942 4.550 0.001 0.000 0.324 402 Y C 1.267 177.040 175.900 -0.212 0.000 1.291 402 Y CA -0.579 57.405 58.100 -0.192 0.000 1.348 402 Y CB 0.883 39.169 38.460 -0.290 0.000 1.294 402 Y HN -0.232 nan 8.280 nan 0.000 0.525 403 Q N 2.342 121.989 119.800 -0.255 0.000 2.490 403 Q HA 0.297 4.638 4.340 0.001 0.000 0.255 403 Q C -1.770 174.059 176.000 -0.285 0.000 0.997 403 Q CA -0.360 55.357 55.803 -0.144 0.000 0.709 403 Q CB 0.970 29.667 28.738 -0.067 0.000 1.255 403 Q HN 0.579 nan 8.270 nan 0.000 0.486 404 F N 0.721 120.737 119.950 0.109 0.000 2.461 404 F HA 0.544 5.071 4.527 0.001 0.000 0.332 404 F C 0.447 176.293 175.800 0.077 0.000 1.073 404 F CA -0.844 57.216 58.000 0.101 0.000 1.017 404 F CB 1.195 40.268 39.000 0.122 0.000 1.301 404 F HN 0.324 nan 8.300 nan 0.000 0.492 405 E N 0.172 120.550 120.200 0.297 0.000 2.311 405 E HA 0.480 4.831 4.350 0.001 0.000 0.281 405 E C -1.635 175.056 176.600 0.150 0.000 0.905 405 E CA -0.501 56.000 56.400 0.169 0.000 0.778 405 E CB 1.648 31.415 29.700 0.111 0.000 1.240 405 E HN 0.597 nan 8.360 nan 0.000 0.410 406 S N 3.307 119.066 115.700 0.097 0.000 2.542 406 S HA 0.661 5.131 4.470 0.001 0.000 0.293 406 S C -0.995 173.615 174.600 0.016 0.000 1.089 406 S CA -0.766 57.468 58.200 0.057 0.000 0.961 406 S CB 1.397 64.622 63.200 0.041 0.000 1.062 406 S HN 0.546 nan 8.310 nan 0.000 0.483 407 E N 1.291 121.487 120.200 -0.007 0.000 2.288 407 E HA 0.750 5.100 4.350 0.001 0.000 0.268 407 E C -0.457 176.101 176.600 -0.071 0.000 0.885 407 E CA -1.489 54.887 56.400 -0.040 0.000 0.767 407 E CB 1.892 31.580 29.700 -0.021 0.000 1.220 407 E HN 0.917 nan 8.360 nan 0.000 0.427 408 G N 1.962 110.687 108.800 -0.124 0.000 2.768 408 G HA2 0.455 4.416 3.960 0.001 0.000 0.297 408 G HA3 0.455 4.416 3.960 0.001 0.000 0.297 408 G C -1.443 173.338 174.900 -0.199 0.000 1.430 408 G CA -0.869 44.152 45.100 -0.130 0.000 1.030 408 G HN 0.667 nan 8.290 nan 0.000 0.553 409 K N 0.002 120.312 120.400 -0.150 0.000 2.399 409 K HA 0.939 5.260 4.320 0.001 0.000 0.260 409 K C -0.971 175.553 176.600 -0.128 0.000 1.049 409 K CA -0.955 55.227 56.287 -0.174 0.000 0.890 409 K CB 2.408 34.889 32.500 -0.032 0.000 1.430 409 K HN 1.616 nan 8.250 nan 0.000 0.459 410 A N -0.092 122.611 122.820 -0.195 0.000 2.599 410 A HA 0.578 4.898 4.320 0.001 0.000 0.294 410 A C -2.456 174.971 177.584 -0.261 0.000 1.055 410 A CA -0.884 51.059 52.037 -0.157 0.000 0.683 410 A CB 0.690 19.555 19.000 -0.225 0.000 1.278 410 A HN 0.656 nan 8.150 nan 0.000 0.412 411 W N 0.000 121.189 121.300 -0.186 0.000 2.719 411 W HA 0.766 5.427 4.660 0.001 0.000 0.352 411 W C -0.861 175.293 176.519 -0.608 0.000 1.085 411 W CA -0.436 56.704 57.345 -0.342 0.000 1.187 411 W CB 2.058 31.363 29.460 -0.260 0.000 1.417 411 W HN 0.562 nan 8.180 nan 0.000 0.557 412 L N 2.511 123.360 121.223 -0.624 0.000 2.464 412 L HA 0.553 4.894 4.340 0.001 0.000 0.266 412 L C -1.256 175.180 176.870 -0.722 0.000 0.965 412 L CA -0.436 54.049 54.840 -0.590 0.000 0.833 412 L CB 1.250 43.080 42.059 -0.382 0.000 1.296 412 L HN 0.184 nan 8.230 nan 0.000 0.405 413 F N 0.827 120.827 119.950 0.083 0.000 2.547 413 F HA 0.856 5.383 4.527 0.001 0.000 0.316 413 F C 0.588 176.375 175.800 -0.021 0.000 1.121 413 F CA -0.830 57.197 58.000 0.046 0.000 0.911 413 F CB 2.417 41.442 39.000 0.041 0.000 1.179 413 F HN 0.438 nan 8.300 nan 0.000 0.443 414 G N 0.471 109.344 108.800 0.122 0.000 2.660 414 G HA2 0.716 4.677 3.960 0.001 0.000 0.294 414 G HA3 0.716 4.677 3.960 0.001 0.000 0.294 414 G C -1.695 173.205 174.900 0.001 0.000 1.369 414 G CA -0.924 44.196 45.100 0.033 0.000 0.912 414 G HN 0.533 nan 8.290 nan 0.000 0.479 415 T N 1.040 115.579 114.554 -0.024 0.000 2.971 415 T HA 0.575 4.926 4.350 0.001 0.000 0.304 415 T C -0.962 173.676 174.700 -0.103 0.000 1.038 415 T CA -0.876 61.173 62.100 -0.084 0.000 1.007 415 T CB 1.861 70.689 68.868 -0.066 0.000 1.055 415 T HN 0.436 nan 8.240 nan 0.000 0.451 416 N N 1.158 119.728 118.700 -0.216 0.000 2.264 416 N HA 0.524 5.265 4.740 0.001 0.000 0.288 416 N C -1.638 173.700 175.510 -0.286 0.000 1.094 416 N CA -0.486 52.475 53.050 -0.148 0.000 0.817 416 N CB 2.251 40.702 38.487 -0.061 0.000 1.604 416 N HN 0.413 nan 8.380 nan 0.000 0.473 417 F N 0.975 120.996 119.950 0.118 0.000 2.422 417 F HA 0.434 4.962 4.527 0.001 0.000 0.333 417 F C 0.289 176.205 175.800 0.192 0.000 1.095 417 F CA -0.508 57.593 58.000 0.169 0.000 1.038 417 F CB 1.279 40.398 39.000 0.199 0.000 1.156 417 F HN 0.272 nan 8.300 nan 0.000 0.483 418 N N 1.513 120.441 118.700 0.379 0.000 2.238 418 N HA 0.485 5.226 4.740 0.001 0.000 0.302 418 N C -2.015 173.717 175.510 0.371 0.000 1.072 418 N CA -0.776 52.463 53.050 0.315 0.000 0.792 418 N CB 2.120 40.697 38.487 0.150 0.000 1.425 418 N HN 0.531 nan 8.380 nan 0.000 0.478 419 Y N 0.902 121.313 120.300 0.184 0.000 2.401 419 Y HA 0.633 5.184 4.550 0.001 0.000 0.330 419 Y C -1.682 174.174 175.900 -0.073 0.000 1.071 419 Y CA -0.936 57.165 58.100 0.001 0.000 1.049 419 Y CB 1.479 39.855 38.460 -0.140 0.000 1.239 419 Y HN 0.645 nan 8.280 nan 0.000 0.437 420 A N 6.432 128.879 122.820 -0.622 0.000 2.285 420 A HA 0.641 4.961 4.320 0.001 0.000 0.310 420 A C -1.168 176.123 177.584 -0.490 0.000 1.266 420 A CA -0.450 51.382 52.037 -0.341 0.000 0.832 420 A CB -0.099 18.814 19.000 -0.145 0.000 1.163 420 A HN 0.613 nan 8.150 nan 0.000 0.499 421 F N 0.000 119.911 119.950 -0.064 0.000 2.286 421 F HA 0.000 4.527 4.527 0.001 0.000 0.279 421 F CA 0.000 58.016 58.000 0.026 0.000 1.383 421 F CB 0.000 39.111 39.000 0.185 0.000 1.145 421 F HN 0.000 nan 8.300 nan 0.000 0.574