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 3inv_1_A DATA FIRST_RESID 2 DATA SEQUENCE SLFKIRMPET VAEGTRLALR AFSLVVAVDE HGGIGDGRSI PWNVPEDMKF DATA SEQUENCE FRDLTTKLRG KNVKPSPAKR NAVVMGRKTW DSIPPKFRPL PGRLNVVLSS DATA SEQUENCE TLTTQHLLDG LPDEEKRNLH ADSIVAVNGG LEQALRLLAS PNYTPSIETV DATA SEQUENCE YCIGGGSVYA EALRPPCVHL LQAIYRTTIR ASESSCSVFF RVPESGTEAA DATA SEQUENCE AGIEWQRETI SEELTSANGN ETKYYFEKLI PRNREEEQYL SLVDRIIREG DATA SEQUENCE NVKHDRTGVG TLSIFGAQMR FSLRNNRLPL LTTKRVFWRG VCEELLWFLR DATA SEQUENCE GETYAKKLSD KGVHIWDDNG SRAFLDSRGL TEYEEMDLGP VYGFQWRHFG DATA SEQUENCE AAYTHHDANY DGQGVDQIKA IVETLKTNPD DRRMLFTAWN PSALPRMALP DATA SEQUENCE PCHLLAQFYV SNGELSCMLY QRSCDMGLGV PFNIASYALL TILIAKATGL DATA SEQUENCE RPGELVHTLG DAHVYSNHVE PCNEQLKRVP RAFPYLVFRR EREFLEDYEE DATA SEQUENCE GDMEVIDYAP YPPI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.555 174.600 -0.075 0.000 1.055 2 S CA 0.000 58.086 58.200 -0.190 0.000 1.107 2 S CB 0.000 63.202 63.200 0.003 0.000 0.593 3 L N 1.636 122.756 121.223 -0.172 0.000 2.376 3 L HA 0.185 4.525 4.340 -0.001 0.000 0.219 3 L C 1.564 178.340 176.870 -0.157 0.000 1.133 3 L CA 0.915 55.648 54.840 -0.179 0.000 0.816 3 L CB -0.432 41.456 42.059 -0.285 0.000 0.933 3 L HN 0.342 nan 8.230 nan 0.000 0.449 4 F N 0.128 120.068 119.950 -0.017 0.000 2.456 4 F HA 0.024 4.550 4.527 -0.001 0.000 0.298 4 F C 1.473 177.265 175.800 -0.013 0.000 1.104 4 F CA 0.405 58.400 58.000 -0.008 0.000 1.435 4 F CB -0.280 38.713 39.000 -0.011 0.000 1.078 4 F HN -0.085 nan 8.300 nan 0.000 0.546 5 K N 0.198 120.668 120.400 0.116 0.000 2.109 5 K HA 0.500 4.819 4.320 -0.001 0.000 0.243 5 K C -0.415 176.317 176.600 0.220 0.000 1.006 5 K CA -0.662 55.684 56.287 0.099 0.000 0.917 5 K CB 1.329 33.744 32.500 -0.141 0.000 1.081 5 K HN -0.151 nan 8.250 nan 0.000 0.468 6 I N 2.248 122.976 120.570 0.264 0.000 2.306 6 I HA 0.191 4.360 4.170 -0.001 0.000 0.288 6 I C 0.231 176.496 176.117 0.247 0.000 1.036 6 I CA -0.533 60.893 61.300 0.209 0.000 1.221 6 I CB 0.982 39.051 38.000 0.116 0.000 1.385 6 I HN 0.411 nan 8.210 nan 0.000 0.472 7 R N 7.020 127.623 120.500 0.171 0.000 2.401 7 R HA 0.246 4.586 4.340 -0.001 0.000 0.299 7 R C -0.237 176.008 176.300 -0.091 0.000 1.064 7 R CA -0.508 55.534 56.100 -0.097 0.000 1.000 7 R CB 0.621 30.835 30.300 -0.142 0.000 0.973 7 R HN 0.452 nan 8.270 nan 0.000 0.438 8 M N 6.075 125.592 119.600 -0.139 0.000 2.242 8 M HA 0.258 4.737 4.480 -0.001 0.000 0.344 8 M C -1.830 174.413 176.300 -0.095 0.000 1.140 8 M CA -2.340 52.918 55.300 -0.070 0.000 1.160 8 M CB 0.486 33.074 32.600 -0.020 0.000 1.491 8 M HN 0.563 nan 8.290 nan 0.000 0.459 9 P HA 0.251 nan 4.420 nan 0.000 0.279 9 P C -0.224 177.039 177.300 -0.061 0.000 1.276 9 P CA -0.298 62.763 63.100 -0.065 0.000 0.801 9 P CB 0.772 32.440 31.700 -0.053 0.000 1.127 10 E N -0.638 119.530 120.200 -0.054 0.000 2.338 10 E HA -0.092 4.258 4.350 -0.001 0.000 0.197 10 E C 1.261 177.838 176.600 -0.039 0.000 1.007 10 E CA 1.456 57.829 56.400 -0.046 0.000 0.849 10 E CB -0.547 29.130 29.700 -0.039 0.000 0.774 10 E HN 0.582 nan 8.360 nan 0.000 0.506 11 T N -1.661 112.869 114.554 -0.040 0.000 3.129 11 T HA 0.065 4.414 4.350 -0.001 0.000 0.251 11 T C 1.812 176.484 174.700 -0.046 0.000 1.117 11 T CA 0.122 62.200 62.100 -0.036 0.000 1.034 11 T CB 0.217 69.065 68.868 -0.034 0.000 0.968 11 T HN 0.025 nan 8.240 nan 0.000 0.526 12 V N 1.850 121.732 119.914 -0.053 0.000 2.311 12 V HA -0.267 3.852 4.120 -0.001 0.000 0.256 12 V C 2.684 178.725 176.094 -0.088 0.000 1.077 12 V CA 2.500 64.758 62.300 -0.071 0.000 1.067 12 V CB -1.208 30.589 31.823 -0.043 0.000 0.659 12 V HN 0.690 nan 8.190 nan 0.000 0.451 13 A N -1.184 121.606 122.820 -0.051 0.000 1.984 13 A HA 0.109 4.428 4.320 -0.001 0.000 0.214 13 A C 1.275 178.848 177.584 -0.018 0.000 1.173 13 A CA 0.526 52.543 52.037 -0.034 0.000 0.673 13 A CB -0.247 18.753 19.000 -0.001 0.000 0.830 13 A HN 0.600 nan 8.150 nan 0.000 0.453 14 E N -0.032 120.158 120.200 -0.017 0.000 1.865 14 E HA 0.454 4.803 4.350 -0.001 0.000 0.269 14 E C 0.681 177.275 176.600 -0.011 0.000 1.177 14 E CA 0.678 57.074 56.400 -0.006 0.000 0.932 14 E CB 0.197 29.893 29.700 -0.006 0.000 1.066 14 E HN 0.471 nan 8.360 nan 0.000 0.405 15 G N 1.303 110.101 108.800 -0.003 0.000 3.845 15 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.198 15 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.198 15 G C 0.899 175.808 174.900 0.014 0.000 0.890 15 G CA 0.125 45.224 45.100 -0.003 0.000 0.885 15 G HN 0.439 nan 8.290 nan 0.000 0.407 16 T N -1.419 113.145 114.554 0.017 0.000 3.132 16 T HA 0.408 4.757 4.350 -0.001 0.000 0.274 16 T C 0.661 175.416 174.700 0.092 0.000 1.011 16 T CA -0.138 62.001 62.100 0.065 0.000 0.899 16 T CB 0.554 69.466 68.868 0.073 0.000 1.089 16 T HN 0.319 nan 8.240 nan 0.000 0.543 17 R N 1.721 122.257 120.500 0.061 0.000 2.351 17 R HA 0.311 4.650 4.340 -0.001 0.000 0.318 17 R C -0.279 176.055 176.300 0.057 0.000 1.055 17 R CA -0.709 55.428 56.100 0.062 0.000 0.968 17 R CB -0.067 30.258 30.300 0.041 0.000 0.974 17 R HN 0.254 nan 8.270 nan 0.000 0.439 18 L N 5.502 126.760 121.223 0.058 0.000 2.597 18 L HA 0.035 4.374 4.340 -0.001 0.000 0.271 18 L C 0.847 177.729 176.870 0.020 0.000 1.157 18 L CA 0.818 55.678 54.840 0.034 0.000 0.928 18 L CB 0.708 42.776 42.059 0.015 0.000 1.216 18 L HN 0.887 nan 8.230 nan 0.000 0.481 19 A N 6.110 128.941 122.820 0.019 0.000 1.898 19 A HA 0.208 4.527 4.320 -0.001 0.000 0.214 19 A C 0.661 178.247 177.584 0.002 0.000 1.183 19 A CA 0.861 52.908 52.037 0.017 0.000 0.622 19 A CB -0.113 18.904 19.000 0.028 0.000 0.824 19 A HN 0.594 nan 8.150 nan 0.000 0.444 20 L N -0.999 120.216 121.223 -0.014 0.000 2.422 20 L HA 0.500 4.839 4.340 -0.001 0.000 0.264 20 L C -0.438 176.384 176.870 -0.080 0.000 0.984 20 L CA -1.067 53.756 54.840 -0.028 0.000 0.819 20 L CB 2.138 44.201 42.059 0.006 0.000 1.330 20 L HN 0.168 nan 8.230 nan 0.000 0.410 21 R N 2.086 122.543 120.500 -0.071 0.000 2.357 21 R HA 0.655 4.994 4.340 -0.001 0.000 0.296 21 R C -0.270 176.002 176.300 -0.045 0.000 1.052 21 R CA -0.036 56.005 56.100 -0.100 0.000 0.988 21 R CB 1.288 31.556 30.300 -0.053 0.000 1.025 21 R HN 0.686 nan 8.270 nan 0.000 0.469 22 A N 4.177 126.913 122.820 -0.141 0.000 2.366 22 A HA 0.507 4.826 4.320 -0.001 0.000 0.249 22 A C -0.521 177.196 177.584 0.223 0.000 1.084 22 A CA 0.074 52.129 52.037 0.029 0.000 0.794 22 A CB -0.145 18.821 19.000 -0.057 0.000 1.034 22 A HN 0.761 nan 8.150 nan 0.000 0.491 23 F N -1.564 118.386 119.950 -0.001 0.000 2.779 23 F HA 0.766 5.292 4.527 -0.001 0.000 0.316 23 F C -0.393 175.425 175.800 0.030 0.000 1.164 23 F CA -0.756 57.227 58.000 -0.027 0.000 0.924 23 F CB 0.953 39.949 39.000 -0.007 0.000 1.348 23 F HN 0.440 nan 8.300 nan 0.000 0.467 24 S N 1.127 116.773 115.700 -0.089 0.000 2.638 24 S HA 0.775 5.244 4.470 -0.001 0.000 0.302 24 S C -1.628 173.134 174.600 0.269 0.000 1.096 24 S CA -0.851 57.328 58.200 -0.034 0.000 0.953 24 S CB 1.985 65.240 63.200 0.091 0.000 1.107 24 S HN 0.813 nan 8.310 nan 0.000 0.503 25 L N 2.284 123.704 121.223 0.328 0.000 2.385 25 L HA 0.804 5.144 4.340 -0.001 0.000 0.273 25 L C -1.446 175.677 176.870 0.421 0.000 0.990 25 L CA -0.818 54.271 54.840 0.415 0.000 0.821 25 L CB 1.477 43.724 42.059 0.314 0.000 1.279 25 L HN 0.572 nan 8.230 nan 0.000 0.412 26 V N 3.255 123.416 119.914 0.412 0.000 2.487 26 V HA 0.868 4.987 4.120 -0.001 0.000 0.298 26 V C -0.937 175.298 176.094 0.235 0.000 1.028 26 V CA -0.593 61.916 62.300 0.348 0.000 0.860 26 V CB 1.467 33.474 31.823 0.307 0.000 0.991 26 V HN 0.600 nan 8.190 nan 0.000 0.427 27 V N 3.195 123.128 119.914 0.033 0.000 3.120 27 V HA 0.953 5.072 4.120 -0.001 0.000 0.303 27 V C -0.567 175.471 176.094 -0.092 0.000 1.238 27 V CA 0.172 62.354 62.300 -0.197 0.000 1.008 27 V CB 2.411 33.563 31.823 -1.118 0.000 1.064 27 V HN 1.782 nan 8.190 nan 0.000 0.434 28 A N 4.602 127.420 122.820 -0.002 0.000 2.319 28 A HA 0.882 5.202 4.320 -0.001 0.000 0.310 28 A C -0.741 176.928 177.584 0.141 0.000 1.152 28 A CA -0.031 52.057 52.037 0.084 0.000 0.783 28 A CB 1.376 20.540 19.000 0.273 0.000 1.184 28 A HN 1.994 nan 8.150 nan 0.000 0.474 29 V N 0.574 120.460 119.914 -0.048 0.000 2.914 29 V HA 0.835 4.954 4.120 -0.001 0.000 0.314 29 V C -0.411 175.524 176.094 -0.264 0.000 1.084 29 V CA -0.808 61.500 62.300 0.013 0.000 0.963 29 V CB 1.780 33.652 31.823 0.082 0.000 1.025 29 V HN 0.915 nan 8.190 nan 0.000 0.432 30 D N 1.128 121.411 120.400 -0.194 0.000 2.478 30 D HA 0.231 4.870 4.640 -0.001 0.000 0.274 30 D C 0.672 176.865 176.300 -0.178 0.000 1.234 30 D CA -0.317 53.491 54.000 -0.320 0.000 1.069 30 D CB 0.462 41.166 40.800 -0.160 0.000 1.113 30 D HN 0.673 nan 8.370 nan 0.000 0.571 31 E N -1.694 118.364 120.200 -0.236 0.000 2.472 31 E HA -0.119 4.230 4.350 -0.001 0.000 0.200 31 E C 0.328 176.712 176.600 -0.360 0.000 1.046 31 E CA 0.613 56.832 56.400 -0.303 0.000 0.871 31 E CB -0.079 29.388 29.700 -0.388 0.000 0.806 31 E HN 0.389 nan 8.360 nan 0.000 0.533 32 H N -0.965 118.159 119.070 0.091 0.000 2.512 32 H HA 0.207 4.762 4.556 -0.001 0.000 0.276 32 H C 1.089 176.573 175.328 0.259 0.000 1.126 32 H CA 0.435 56.573 56.048 0.150 0.000 1.060 32 H CB 0.960 30.826 29.762 0.174 0.000 1.646 32 H HN 0.250 nan 8.280 nan 0.000 0.571 33 G N 1.019 109.986 108.800 0.278 0.000 2.166 33 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.260 33 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.260 33 G C 0.840 176.008 174.900 0.445 0.000 0.986 33 G CA 0.291 45.596 45.100 0.342 0.000 0.683 33 G HN 0.683 nan 8.290 nan 0.000 0.527 34 G N -0.412 108.585 108.800 0.328 0.000 2.467 34 G HA2 0.629 4.588 3.960 -0.001 0.000 0.257 34 G HA3 0.629 4.588 3.960 -0.001 0.000 0.257 34 G C 1.042 176.045 174.900 0.171 0.000 1.227 34 G CA -0.113 44.986 45.100 -0.001 0.000 0.835 34 G HN 1.209 nan 8.290 nan 0.000 0.556 35 I N -0.758 119.824 120.570 0.020 0.000 4.526 35 I HA 0.585 4.755 4.170 -0.001 0.000 0.330 35 I C 0.635 176.646 176.117 -0.177 0.000 1.323 35 I CA -0.069 61.294 61.300 0.106 0.000 1.218 35 I CB 0.825 38.921 38.000 0.160 0.000 1.233 35 I HN 0.707 nan 8.210 nan 0.000 0.430 36 G N 1.700 110.365 108.800 -0.226 0.000 2.356 36 G HA2 0.252 4.212 3.960 -0.001 0.000 0.294 36 G HA3 0.252 4.212 3.960 -0.001 0.000 0.294 36 G C -1.429 173.339 174.900 -0.219 0.000 1.423 36 G CA 0.187 45.124 45.100 -0.270 0.000 0.806 36 G HN 0.190 nan 8.290 nan 0.000 0.527 37 D N -1.825 118.469 120.400 -0.178 0.000 2.349 37 D HA 0.405 5.044 4.640 -0.001 0.000 0.214 37 D C 1.579 177.825 176.300 -0.090 0.000 1.063 37 D CA 1.003 54.929 54.000 -0.124 0.000 0.847 37 D CB 0.621 41.363 40.800 -0.098 0.000 0.933 37 D HN 1.774 nan 8.370 nan 0.000 0.513 38 G N 0.435 109.179 108.800 -0.095 0.000 2.259 38 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.217 38 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.217 38 G C 1.166 176.028 174.900 -0.062 0.000 1.001 38 G CA 0.129 45.193 45.100 -0.060 0.000 0.627 38 G HN 0.396 nan 8.290 nan 0.000 0.501 39 R N 0.450 120.901 120.500 -0.081 0.000 2.276 39 R HA 0.427 4.766 4.340 -0.001 0.000 0.195 39 R C 1.036 177.271 176.300 -0.108 0.000 0.908 39 R CA 1.611 57.663 56.100 -0.079 0.000 1.083 39 R CB 0.461 30.721 30.300 -0.067 0.000 1.182 39 R HN 0.782 nan 8.270 nan 0.000 0.608 40 S N -0.995 114.619 115.700 -0.143 0.000 2.752 40 S HA 0.458 4.928 4.470 -0.001 0.000 0.284 40 S C -0.596 173.835 174.600 -0.282 0.000 1.189 40 S CA -0.927 57.159 58.200 -0.190 0.000 0.835 40 S CB 1.386 64.486 63.200 -0.168 0.000 1.192 40 S HN 0.072 nan 8.310 nan 0.000 0.506 41 I N 2.593 122.934 120.570 -0.382 0.000 2.315 41 I HA 0.330 4.500 4.170 -0.001 0.000 0.291 41 I C -1.238 174.497 176.117 -0.636 0.000 1.006 41 I CA -2.293 58.607 61.300 -0.666 0.000 1.265 41 I CB 1.806 39.318 38.000 -0.813 0.000 1.387 41 I HN 0.619 nan 8.210 nan 0.000 0.475 42 P HA -0.119 nan 4.420 nan 0.000 0.223 42 P C -0.480 176.763 177.300 -0.096 0.000 1.144 42 P CA 1.183 64.125 63.100 -0.263 0.000 0.783 42 P CB -0.056 31.581 31.700 -0.106 0.000 0.771 43 W N 0.117 121.380 121.300 -0.062 0.000 2.804 43 W HA 0.656 5.316 4.660 -0.001 0.000 0.352 43 W C -0.917 175.558 176.519 -0.073 0.000 1.153 43 W CA -1.357 55.950 57.345 -0.063 0.000 1.119 43 W CB -0.215 29.203 29.460 -0.070 0.000 1.448 43 W HN -0.307 nan 8.180 nan 0.000 0.600 44 N N 0.601 119.448 118.700 0.245 0.000 2.609 44 N HA 0.422 5.161 4.740 -0.001 0.000 0.268 44 N C -2.341 173.234 175.510 0.108 0.000 1.106 44 N CA -0.544 52.576 53.050 0.116 0.000 0.823 44 N CB 1.484 39.994 38.487 0.038 0.000 1.263 44 N HN 0.414 nan 8.380 nan 0.000 0.533 45 V N 6.153 126.132 119.914 0.109 0.000 2.289 45 V HA 0.358 4.477 4.120 -0.001 0.000 0.272 45 V C -1.517 174.528 176.094 -0.081 0.000 1.026 45 V CA -1.464 60.800 62.300 -0.061 0.000 0.807 45 V CB 1.381 33.067 31.823 -0.229 0.000 1.044 45 V HN 0.576 nan 8.190 nan 0.000 0.443 46 P HA -0.197 nan 4.420 nan 0.000 0.216 46 P C 1.312 178.598 177.300 -0.024 0.000 1.154 46 P CA 1.370 64.450 63.100 -0.034 0.000 0.865 46 P CB 0.441 32.132 31.700 -0.016 0.000 0.789 47 E N -0.878 119.286 120.200 -0.061 0.000 2.153 47 E HA -0.199 4.151 4.350 -0.001 0.000 0.194 47 E C 1.748 178.415 176.600 0.112 0.000 0.988 47 E CA 1.450 57.862 56.400 0.020 0.000 0.811 47 E CB -0.871 28.844 29.700 0.025 0.000 0.746 47 E HN 0.408 nan 8.360 nan 0.000 0.466 48 D N -0.502 119.890 120.400 -0.013 0.000 2.123 48 D HA -0.145 4.494 4.640 -0.001 0.000 0.200 48 D C 1.825 178.269 176.300 0.240 0.000 0.976 48 D CA 0.843 54.961 54.000 0.197 0.000 0.831 48 D CB 0.006 40.837 40.800 0.051 0.000 0.974 48 D HN 0.023 nan 8.370 nan 0.000 0.469 49 M N 0.614 120.274 119.600 0.101 0.000 2.149 49 M HA -0.127 4.352 4.480 -0.001 0.000 0.261 49 M C 1.892 178.260 176.300 0.113 0.000 1.064 49 M CA 1.586 56.923 55.300 0.062 0.000 1.102 49 M CB -0.270 32.309 32.600 -0.035 0.000 1.369 49 M HN -0.028 nan 8.290 nan 0.000 0.408 50 K N -1.340 119.119 120.400 0.097 0.000 2.062 50 K HA -0.168 4.151 4.320 -0.001 0.000 0.205 50 K C 1.987 178.625 176.600 0.064 0.000 1.051 50 K CA 1.359 57.684 56.287 0.064 0.000 0.941 50 K CB -0.426 32.111 32.500 0.062 0.000 0.719 50 K HN 0.352 nan 8.250 nan 0.000 0.440 51 F N 1.188 121.139 119.950 0.003 0.000 2.095 51 F HA -0.212 4.314 4.527 -0.001 0.000 0.298 51 F C 1.865 177.604 175.800 -0.102 0.000 1.104 51 F CA 1.533 59.468 58.000 -0.109 0.000 1.232 51 F CB -0.624 38.265 39.000 -0.184 0.000 0.987 51 F HN 0.099 nan 8.300 nan 0.000 0.475 52 F N 1.243 121.077 119.950 -0.194 0.000 2.095 52 F HA -0.191 4.335 4.527 -0.001 0.000 0.298 52 F C 2.730 178.307 175.800 -0.372 0.000 1.104 52 F CA 2.262 60.081 58.000 -0.301 0.000 1.232 52 F CB -0.658 38.292 39.000 -0.084 0.000 0.987 52 F HN -0.068 nan 8.300 nan 0.000 0.475 53 R N 0.378 120.789 120.500 -0.149 0.000 2.080 53 R HA -0.187 4.153 4.340 -0.001 0.000 0.236 53 R C 1.960 178.034 176.300 -0.376 0.000 1.137 53 R CA 2.255 58.212 56.100 -0.238 0.000 0.943 53 R CB -0.641 29.612 30.300 -0.078 0.000 0.846 53 R HN 0.300 nan 8.270 nan 0.000 0.431 54 D N 0.649 120.837 120.400 -0.353 0.000 2.097 54 D HA -0.174 4.465 4.640 -0.001 0.000 0.195 54 D C 1.903 177.903 176.300 -0.499 0.000 0.989 54 D CA 0.919 54.709 54.000 -0.350 0.000 0.827 54 D CB -0.379 40.257 40.800 -0.273 0.000 0.966 54 D HN 0.166 nan 8.370 nan 0.000 0.456 55 L N 0.992 121.748 121.223 -0.778 0.000 1.989 55 L HA -0.186 4.153 4.340 -0.001 0.000 0.211 55 L C 2.363 178.682 176.870 -0.918 0.000 1.071 55 L CA 2.557 56.840 54.840 -0.927 0.000 0.749 55 L CB -1.200 40.028 42.059 -1.385 0.000 0.890 55 L HN 0.165 nan 8.230 nan 0.000 0.431 56 T N -5.687 108.215 114.554 -1.086 0.000 3.055 56 T HA -0.056 4.293 4.350 -0.001 0.000 0.265 56 T C 1.570 175.981 174.700 -0.481 0.000 1.111 56 T CA 1.328 62.794 62.100 -1.057 0.000 1.118 56 T CB -0.625 67.555 68.868 -1.145 0.000 0.909 56 T HN 0.394 nan 8.240 nan 0.000 0.501 57 T N 1.090 115.402 114.554 -0.403 0.000 2.983 57 T HA 0.178 4.527 4.350 -0.001 0.000 0.250 57 T C 0.757 175.371 174.700 -0.143 0.000 1.037 57 T CA 0.258 62.229 62.100 -0.216 0.000 1.142 57 T CB 0.011 68.765 68.868 -0.190 0.000 0.876 57 T HN 0.411 nan 8.240 nan 0.000 0.455 58 K N 1.619 121.914 120.400 -0.175 0.000 2.382 58 K HA 0.321 4.641 4.320 -0.001 0.000 0.275 58 K C -0.581 175.982 176.600 -0.063 0.000 1.009 58 K CA 0.019 56.238 56.287 -0.113 0.000 0.970 58 K CB 0.481 32.900 32.500 -0.134 0.000 0.934 58 K HN 0.197 nan 8.250 nan 0.000 0.479 59 L N 2.805 124.009 121.223 -0.033 0.000 2.352 59 L HA 0.409 4.749 4.340 -0.001 0.000 0.269 59 L C 0.688 177.552 176.870 -0.010 0.000 1.034 59 L CA -0.984 53.852 54.840 -0.005 0.000 0.806 59 L CB 1.070 43.131 42.059 0.004 0.000 1.244 59 L HN 0.482 nan 8.230 nan 0.000 0.447 60 R N 0.526 121.026 120.500 -0.000 0.000 2.827 60 R HA 0.443 4.782 4.340 -0.001 0.000 0.269 60 R C 0.546 176.843 176.300 -0.005 0.000 1.048 60 R CA 0.606 56.702 56.100 -0.007 0.000 1.173 60 R CB 0.129 30.425 30.300 -0.007 0.000 1.070 60 R HN 0.909 nan 8.270 nan 0.000 0.498 61 G N 0.778 109.573 108.800 -0.008 0.000 2.484 61 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.225 61 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.225 61 G C -1.004 173.893 174.900 -0.005 0.000 1.250 61 G CA -0.406 44.692 45.100 -0.003 0.000 0.926 61 G HN 0.498 nan 8.290 nan 0.000 0.581 62 K N 0.072 120.471 120.400 -0.001 0.000 2.508 62 K HA 0.535 4.854 4.320 -0.001 0.000 0.260 62 K C 0.244 176.843 176.600 -0.002 0.000 0.949 62 K CA -0.388 55.897 56.287 -0.003 0.000 0.834 62 K CB 1.674 34.173 32.500 -0.001 0.000 1.365 62 K HN 0.786 nan 8.250 nan 0.000 0.437 63 N N -0.088 118.610 118.700 -0.004 0.000 2.708 63 N HA -0.186 4.553 4.740 -0.001 0.000 0.251 63 N C -1.179 174.331 175.510 0.000 0.000 1.017 63 N CA 0.099 53.148 53.050 -0.002 0.000 0.742 63 N CB -0.823 37.664 38.487 0.001 0.000 0.943 63 N HN 0.075 nan 8.380 nan 0.000 0.539 64 V N 0.701 120.614 119.914 -0.002 0.000 2.326 64 V HA 0.212 4.331 4.120 -0.001 0.000 0.281 64 V C 0.347 176.439 176.094 -0.002 0.000 1.015 64 V CA -0.742 61.559 62.300 0.002 0.000 0.823 64 V CB 1.395 33.221 31.823 0.005 0.000 1.009 64 V HN 0.177 nan 8.190 nan 0.000 0.436 65 K N 4.910 125.310 120.400 0.000 0.000 2.143 65 K HA 0.700 5.019 4.320 -0.001 0.000 0.272 65 K C -2.813 173.790 176.600 0.004 0.000 1.001 65 K CA -1.711 54.575 56.287 -0.001 0.000 0.915 65 K CB 0.958 33.458 32.500 0.001 0.000 1.047 65 K HN 0.292 nan 8.250 nan 0.000 0.458 66 P HA -0.027 nan 4.420 nan 0.000 0.266 66 P C -1.151 176.160 177.300 0.020 0.000 1.195 66 P CA -0.017 63.090 63.100 0.012 0.000 0.768 66 P CB 0.821 32.526 31.700 0.008 0.000 0.838 67 S N 1.663 117.378 115.700 0.026 0.000 2.607 67 S HA 0.517 4.986 4.470 -0.001 0.000 0.273 67 S C -2.460 172.161 174.600 0.035 0.000 1.148 67 S CA -1.510 56.706 58.200 0.027 0.000 0.833 67 S CB 1.576 64.789 63.200 0.021 0.000 1.130 67 S HN 0.057 nan 8.310 nan 0.000 0.470 68 P HA 0.025 nan 4.420 nan 0.000 0.218 68 P C 1.195 178.518 177.300 0.038 0.000 1.148 68 P CA 1.761 64.886 63.100 0.042 0.000 0.822 68 P CB -0.088 31.631 31.700 0.032 0.000 0.784 69 A N -2.114 120.723 122.820 0.027 0.000 2.208 69 A HA 0.094 4.413 4.320 -0.001 0.000 0.209 69 A C 0.955 178.557 177.584 0.030 0.000 1.161 69 A CA 0.758 52.809 52.037 0.023 0.000 0.782 69 A CB -0.451 18.559 19.000 0.016 0.000 0.816 69 A HN 0.012 nan 8.150 nan 0.000 0.477 70 K N 0.044 120.466 120.400 0.035 0.000 2.767 70 K HA 0.304 4.624 4.320 -0.001 0.000 0.286 70 K C -0.769 175.854 176.600 0.038 0.000 1.177 70 K CA -0.176 56.133 56.287 0.037 0.000 1.078 70 K CB 0.151 32.669 32.500 0.030 0.000 1.358 70 K HN 0.574 nan 8.250 nan 0.000 0.531 71 R N 0.807 121.336 120.500 0.048 0.000 2.762 71 R HA 0.587 4.926 4.340 -0.001 0.000 0.271 71 R C -0.803 175.530 176.300 0.056 0.000 1.038 71 R CA -1.146 54.982 56.100 0.046 0.000 0.906 71 R CB 0.462 30.791 30.300 0.048 0.000 1.259 71 R HN 0.202 nan 8.270 nan 0.000 0.457 72 N N -0.680 118.056 118.700 0.060 0.000 2.447 72 N HA 0.657 5.396 4.740 -0.001 0.000 0.271 72 N C -1.014 174.544 175.510 0.081 0.000 1.226 72 N CA -0.360 52.742 53.050 0.087 0.000 0.980 72 N CB 1.640 40.225 38.487 0.163 0.000 1.206 72 N HN 0.704 nan 8.380 nan 0.000 0.558 73 A N -0.310 122.562 122.820 0.087 0.000 2.413 73 A HA 0.709 5.028 4.320 -0.001 0.000 0.307 73 A C -0.794 176.853 177.584 0.106 0.000 1.087 73 A CA -0.658 51.414 52.037 0.059 0.000 0.750 73 A CB 1.000 19.997 19.000 -0.005 0.000 1.296 73 A HN 0.407 nan 8.150 nan 0.000 0.423 74 V N -0.494 119.471 119.914 0.085 0.000 2.588 74 V HA 0.787 4.906 4.120 -0.001 0.000 0.304 74 V C -0.682 175.459 176.094 0.078 0.000 1.042 74 V CA -0.752 61.623 62.300 0.125 0.000 0.877 74 V CB 1.026 32.928 31.823 0.132 0.000 0.996 74 V HN 0.659 nan 8.190 nan 0.000 0.425 75 V N 6.510 126.467 119.914 0.072 0.000 2.417 75 V HA 0.726 4.846 4.120 -0.001 0.000 0.291 75 V C 0.071 176.174 176.094 0.014 0.000 1.024 75 V CA -0.299 62.002 62.300 0.001 0.000 0.861 75 V CB 1.350 33.133 31.823 -0.067 0.000 0.985 75 V HN 1.119 nan 8.190 nan 0.000 0.436 76 M N 3.255 122.856 119.600 0.002 0.000 2.593 76 M HA 0.881 5.361 4.480 -0.001 0.000 0.290 76 M C 0.053 176.338 176.300 -0.024 0.000 1.244 76 M CA -0.537 54.760 55.300 -0.005 0.000 0.857 76 M CB 2.210 34.851 32.600 0.069 0.000 1.738 76 M HN 0.595 nan 8.290 nan 0.000 0.461 77 G N 0.903 109.675 108.800 -0.046 0.000 2.606 77 G HA2 0.221 4.180 3.960 -0.001 0.000 0.252 77 G HA3 0.221 4.180 3.960 -0.001 0.000 0.252 77 G C 0.388 175.301 174.900 0.021 0.000 1.206 77 G CA -0.543 44.537 45.100 -0.034 0.000 0.861 77 G HN 0.916 nan 8.290 nan 0.000 0.561 78 R N 0.493 121.001 120.500 0.015 0.000 2.120 78 R HA -0.054 4.285 4.340 -0.001 0.000 0.234 78 R C 2.075 178.445 176.300 0.117 0.000 1.123 78 R CA 1.357 57.495 56.100 0.063 0.000 0.975 78 R CB -0.257 30.053 30.300 0.017 0.000 0.866 78 R HN 0.620 nan 8.270 nan 0.000 0.446 79 K N -0.878 119.553 120.400 0.053 0.000 2.217 79 K HA -0.027 4.293 4.320 -0.001 0.000 0.202 79 K C 1.908 178.523 176.600 0.024 0.000 1.051 79 K CA 1.589 57.896 56.287 0.034 0.000 0.952 79 K CB 0.073 32.573 32.500 0.001 0.000 0.736 79 K HN 0.140 nan 8.250 nan 0.000 0.453 80 T N 0.586 115.155 114.554 0.026 0.000 2.857 80 T HA -0.138 4.211 4.350 -0.001 0.000 0.266 80 T C 1.170 175.902 174.700 0.054 0.000 1.048 80 T CA 0.643 62.742 62.100 -0.002 0.000 1.139 80 T CB -0.133 68.716 68.868 -0.032 0.000 0.874 80 T HN 0.466 nan 8.240 nan 0.000 0.455 81 W N 2.499 123.765 121.300 -0.057 0.000 2.363 81 W HA -0.139 4.520 4.660 -0.001 0.000 0.296 81 W C 1.053 177.550 176.519 -0.036 0.000 1.212 81 W CA 1.140 58.462 57.345 -0.039 0.000 1.260 81 W CB -0.284 29.158 29.460 -0.030 0.000 1.131 81 W HN 0.226 nan 8.180 nan 0.000 0.530 82 D N 0.289 120.746 120.400 0.095 0.000 2.144 82 D HA -0.188 4.451 4.640 -0.001 0.000 0.199 82 D C 2.444 178.673 176.300 -0.119 0.000 0.984 82 D CA 2.305 56.293 54.000 -0.020 0.000 0.834 82 D CB -0.687 40.145 40.800 0.052 0.000 0.955 82 D HN 0.223 nan 8.370 nan 0.000 0.465 83 S N -0.095 115.545 115.700 -0.100 0.000 2.507 83 S HA -0.056 4.413 4.470 -0.001 0.000 0.235 83 S C 1.000 175.512 174.600 -0.147 0.000 0.988 83 S CA -0.009 58.120 58.200 -0.119 0.000 0.944 83 S CB -0.426 62.705 63.200 -0.115 0.000 0.762 83 S HN 0.151 nan 8.310 nan 0.000 0.526 84 I N 2.720 123.166 120.570 -0.205 0.000 2.395 84 I HA 0.325 4.494 4.170 -0.001 0.000 0.289 84 I C -2.549 173.436 176.117 -0.220 0.000 1.023 84 I CA -2.726 58.456 61.300 -0.196 0.000 1.350 84 I CB 0.979 38.814 38.000 -0.276 0.000 1.409 84 I HN -0.033 nan 8.210 nan 0.000 0.507 85 P HA 0.104 nan 4.420 nan 0.000 0.267 85 P C -2.050 175.065 177.300 -0.309 0.000 1.205 85 P CA -1.043 61.925 63.100 -0.220 0.000 0.765 85 P CB 0.210 31.756 31.700 -0.256 0.000 0.828 86 P HA -0.259 nan 4.420 nan 0.000 0.218 86 P C 1.081 178.216 177.300 -0.275 0.000 1.147 86 P CA 1.888 64.827 63.100 -0.269 0.000 0.827 86 P CB -0.246 31.344 31.700 -0.183 0.000 0.778 87 K N -2.125 118.037 120.400 -0.395 0.000 2.362 87 K HA -0.049 4.270 4.320 -0.001 0.000 0.200 87 K C 0.735 177.088 176.600 -0.412 0.000 1.046 87 K CA 1.268 57.282 56.287 -0.456 0.000 0.952 87 K CB -0.590 31.521 32.500 -0.648 0.000 0.753 87 K HN 0.123 nan 8.250 nan 0.000 0.466 88 F N 1.292 121.152 119.950 -0.150 0.000 2.682 88 F HA 0.340 4.867 4.527 -0.001 0.000 0.308 88 F C 0.106 175.777 175.800 -0.215 0.000 1.093 88 F CA -0.845 57.064 58.000 -0.151 0.000 1.244 88 F CB 0.314 39.231 39.000 -0.138 0.000 1.052 88 F HN -0.225 nan 8.300 nan 0.000 0.573 89 R N 2.103 122.508 120.500 -0.159 0.000 2.312 89 R HA 0.355 4.694 4.340 -0.001 0.000 0.311 89 R C -2.502 173.674 176.300 -0.206 0.000 1.004 89 R CA -1.596 54.319 56.100 -0.308 0.000 0.902 89 R CB 0.873 30.761 30.300 -0.686 0.000 1.073 89 R HN -0.097 nan 8.270 nan 0.000 0.457 90 P HA 0.143 nan 4.420 nan 0.000 0.281 90 P C -0.609 176.644 177.300 -0.078 0.000 1.281 90 P CA -0.617 62.468 63.100 -0.026 0.000 0.811 90 P CB 0.858 32.666 31.700 0.181 0.000 1.154 91 L N 2.080 123.323 121.223 0.033 0.000 2.597 91 L HA 0.123 4.463 4.340 -0.001 0.000 0.271 91 L C -1.515 175.369 176.870 0.022 0.000 1.157 91 L CA -1.485 53.376 54.840 0.036 0.000 0.928 91 L CB -0.667 41.449 42.059 0.094 0.000 1.216 91 L HN 0.243 nan 8.230 nan 0.000 0.481 92 P HA 0.005 nan 4.420 nan 0.000 0.269 92 P C 0.809 178.137 177.300 0.047 0.000 1.209 92 P CA 0.513 63.651 63.100 0.064 0.000 0.776 92 P CB 1.099 32.850 31.700 0.085 0.000 0.876 93 G N 1.820 110.663 108.800 0.071 0.000 2.184 93 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.264 93 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.264 93 G C 0.121 175.039 174.900 0.031 0.000 0.975 93 G CA 0.046 45.170 45.100 0.039 0.000 0.642 93 G HN 0.686 nan 8.290 nan 0.000 0.536 94 R N -0.989 119.539 120.500 0.047 0.000 2.740 94 R HA 0.610 4.949 4.340 -0.001 0.000 0.273 94 R C -0.321 176.023 176.300 0.073 0.000 0.998 94 R CA -0.989 55.139 56.100 0.047 0.000 0.900 94 R CB 1.558 31.868 30.300 0.017 0.000 1.223 94 R HN 0.118 nan 8.270 nan 0.000 0.466 95 L N 2.863 124.129 121.223 0.070 0.000 2.369 95 L HA 0.239 4.578 4.340 -0.001 0.000 0.279 95 L C -0.731 176.169 176.870 0.050 0.000 1.108 95 L CA 0.172 55.053 54.840 0.068 0.000 0.852 95 L CB 0.315 42.410 42.059 0.060 0.000 1.169 95 L HN 0.663 nan 8.230 nan 0.000 0.452 96 N N 4.841 123.580 118.700 0.064 0.000 2.420 96 N HA 0.196 4.935 4.740 -0.001 0.000 0.249 96 N C -0.864 174.630 175.510 -0.027 0.000 1.033 96 N CA -0.469 52.626 53.050 0.075 0.000 0.944 96 N CB 1.845 40.451 38.487 0.198 0.000 1.113 96 N HN 0.327 nan 8.380 nan 0.000 0.502 97 V N 3.329 123.213 119.914 -0.050 0.000 2.370 97 V HA 0.271 4.390 4.120 -0.001 0.000 0.279 97 V C 0.245 176.265 176.094 -0.124 0.000 1.029 97 V CA -0.641 61.585 62.300 -0.123 0.000 0.870 97 V CB 1.521 33.256 31.823 -0.146 0.000 0.984 97 V HN 0.281 nan 8.190 nan 0.000 0.451 98 V N 6.589 126.381 119.914 -0.203 0.000 2.448 98 V HA 0.443 4.562 4.120 -0.001 0.000 0.295 98 V C -0.056 175.932 176.094 -0.177 0.000 1.025 98 V CA -0.593 61.578 62.300 -0.215 0.000 0.859 98 V CB 1.711 33.262 31.823 -0.453 0.000 0.988 98 V HN 0.647 nan 8.190 nan 0.000 0.431 99 L N 4.068 125.219 121.223 -0.121 0.000 2.331 99 L HA 0.704 5.043 4.340 -0.001 0.000 0.278 99 L C 0.299 177.116 176.870 -0.088 0.000 1.106 99 L CA 0.402 55.183 54.840 -0.099 0.000 0.824 99 L CB 1.328 43.339 42.059 -0.079 0.000 1.142 99 L HN 0.760 nan 8.230 nan 0.000 0.443 100 S N 0.480 116.131 115.700 -0.081 0.000 2.578 100 S HA 0.225 4.694 4.470 -0.001 0.000 0.285 100 S C 0.025 174.596 174.600 -0.049 0.000 1.126 100 S CA -0.161 58.003 58.200 -0.061 0.000 0.878 100 S CB 1.497 64.651 63.200 -0.075 0.000 1.091 100 S HN 0.670 nan 8.310 nan 0.000 0.450 101 S N 1.570 117.253 115.700 -0.029 0.000 2.554 101 S HA 0.178 4.647 4.470 -0.001 0.000 0.226 101 S C 1.124 175.719 174.600 -0.009 0.000 0.980 101 S CA 0.744 58.931 58.200 -0.022 0.000 0.939 101 S CB -0.033 63.158 63.200 -0.015 0.000 0.832 101 S HN 1.012 nan 8.310 nan 0.000 0.486 102 T N -0.600 113.954 114.554 -0.001 0.000 2.964 102 T HA 0.456 4.805 4.350 -0.001 0.000 0.249 102 T C 0.263 175.000 174.700 0.061 0.000 1.000 102 T CA -0.290 61.825 62.100 0.025 0.000 0.992 102 T CB -0.293 68.589 68.868 0.024 0.000 1.087 102 T HN 0.307 nan 8.240 nan 0.000 0.489 103 L N 3.136 124.380 121.223 0.035 0.000 2.329 103 L HA 0.632 4.971 4.340 -0.001 0.000 0.279 103 L C 0.481 177.322 176.870 -0.048 0.000 1.014 103 L CA -1.090 53.793 54.840 0.071 0.000 0.814 103 L CB 2.050 44.131 42.059 0.036 0.000 1.257 103 L HN 0.240 nan 8.230 nan 0.000 0.424 104 T N -2.432 112.035 114.554 -0.146 0.000 2.849 104 T HA 0.198 4.548 4.350 -0.001 0.000 0.276 104 T C 1.078 175.665 174.700 -0.188 0.000 0.971 104 T CA -0.431 61.520 62.100 -0.248 0.000 0.949 104 T CB 1.326 69.925 68.868 -0.450 0.000 1.093 104 T HN 0.558 nan 8.240 nan 0.000 0.545 105 T N 0.351 114.805 114.554 -0.167 0.000 2.746 105 T HA -0.128 4.221 4.350 -0.001 0.000 0.267 105 T C 1.981 176.632 174.700 -0.082 0.000 1.039 105 T CA 1.666 63.688 62.100 -0.131 0.000 1.142 105 T CB -0.425 68.386 68.868 -0.094 0.000 0.866 105 T HN 0.680 nan 8.240 nan 0.000 0.444 106 Q N 0.811 120.559 119.800 -0.087 0.000 2.079 106 Q HA -0.096 4.243 4.340 -0.001 0.000 0.200 106 Q C 1.849 177.909 176.000 0.099 0.000 0.974 106 Q CA 1.711 57.509 55.803 -0.008 0.000 0.840 106 Q CB -0.467 28.258 28.738 -0.022 0.000 0.898 106 Q HN 0.767 nan 8.270 nan 0.000 0.430 107 H N -1.260 117.798 119.070 -0.019 0.000 2.456 107 H HA -0.097 4.458 4.556 -0.001 0.000 0.296 107 H C 1.426 176.759 175.328 0.008 0.000 1.079 107 H CA 0.622 56.667 56.048 -0.006 0.000 1.322 107 H CB 0.342 30.094 29.762 -0.017 0.000 1.388 107 H HN 0.172 nan 8.280 nan 0.000 0.538 108 L N -0.037 121.235 121.223 0.081 0.000 2.109 108 L HA -0.145 4.194 4.340 -0.001 0.000 0.207 108 L C 1.939 178.906 176.870 0.162 0.000 1.086 108 L CA 0.974 55.833 54.840 0.031 0.000 0.760 108 L CB -0.363 41.530 42.059 -0.277 0.000 0.910 108 L HN 0.223 nan 8.230 nan 0.000 0.437 109 L N -0.651 120.638 121.223 0.111 0.000 2.027 109 L HA -0.181 4.159 4.340 -0.001 0.000 0.206 109 L C 2.167 179.112 176.870 0.125 0.000 1.074 109 L CA 1.538 56.455 54.840 0.129 0.000 0.745 109 L CB -1.231 40.881 42.059 0.089 0.000 0.898 109 L HN 0.278 nan 8.230 nan 0.000 0.433 110 D N -0.459 120.009 120.400 0.113 0.000 2.218 110 D HA -0.118 4.521 4.640 -0.001 0.000 0.204 110 D C 1.993 178.341 176.300 0.080 0.000 0.976 110 D CA 1.350 55.401 54.000 0.086 0.000 0.853 110 D CB -0.194 40.652 40.800 0.077 0.000 0.939 110 D HN 0.406 nan 8.370 nan 0.000 0.481 111 G N 0.098 108.967 108.800 0.116 0.000 2.776 111 G HA2 0.056 4.015 3.960 -0.001 0.000 0.209 111 G HA3 0.056 4.015 3.960 -0.001 0.000 0.209 111 G C 0.759 175.715 174.900 0.094 0.000 1.145 111 G CA -0.121 45.046 45.100 0.111 0.000 0.791 111 G HN 0.172 nan 8.290 nan 0.000 0.530 112 L N 0.668 121.950 121.223 0.099 0.000 2.421 112 L HA 0.225 4.565 4.340 -0.001 0.000 0.263 112 L C -0.423 176.462 176.870 0.024 0.000 1.122 112 L CA -1.852 53.026 54.840 0.063 0.000 0.804 112 L CB 1.287 43.404 42.059 0.097 0.000 1.150 112 L HN -0.028 nan 8.230 nan 0.000 0.457 113 P HA -0.159 nan 4.420 nan 0.000 0.205 113 P C -0.260 177.039 177.300 -0.002 0.000 1.164 113 P CA 1.399 64.486 63.100 -0.021 0.000 0.938 113 P CB -0.069 31.604 31.700 -0.046 0.000 0.777 114 D N -1.771 118.634 120.400 0.009 0.000 2.467 114 D HA 0.063 4.702 4.640 -0.001 0.000 0.245 114 D C 0.998 177.316 176.300 0.031 0.000 1.038 114 D CA -0.735 53.274 54.000 0.015 0.000 1.038 114 D CB 1.684 42.489 40.800 0.009 0.000 1.278 114 D HN 0.160 nan 8.370 nan 0.000 0.564 115 E N -0.262 119.954 120.200 0.026 0.000 2.072 115 E HA -0.249 4.101 4.350 -0.001 0.000 0.191 115 E C 1.425 178.046 176.600 0.034 0.000 0.985 115 E CA 0.996 57.414 56.400 0.031 0.000 0.801 115 E CB 0.036 29.749 29.700 0.021 0.000 0.750 115 E HN 0.468 nan 8.360 nan 0.000 0.452 116 E N 1.073 121.289 120.200 0.026 0.000 2.273 116 E HA -0.231 4.118 4.350 -0.001 0.000 0.198 116 E C 1.785 178.407 176.600 0.037 0.000 1.002 116 E CA 1.477 57.889 56.400 0.021 0.000 0.828 116 E CB -0.059 29.650 29.700 0.015 0.000 0.747 116 E HN 0.063 nan 8.360 nan 0.000 0.491 117 K N 0.478 120.921 120.400 0.071 0.000 2.044 117 K HA -0.011 4.309 4.320 -0.001 0.000 0.204 117 K C 2.190 178.902 176.600 0.186 0.000 1.045 117 K CA 1.660 58.038 56.287 0.152 0.000 0.951 117 K CB -0.252 32.330 32.500 0.137 0.000 0.738 117 K HN 0.230 nan 8.250 nan 0.000 0.443 118 R N -0.081 120.496 120.500 0.128 0.000 2.189 118 R HA 0.038 4.377 4.340 -0.001 0.000 0.218 118 R C 1.622 177.979 176.300 0.095 0.000 1.074 118 R CA 1.276 57.453 56.100 0.129 0.000 0.991 118 R CB -0.388 29.972 30.300 0.100 0.000 0.883 118 R HN 0.094 nan 8.270 nan 0.000 0.457 119 N N 1.000 119.735 118.700 0.058 0.000 2.135 119 N HA -0.120 4.619 4.740 -0.001 0.000 0.186 119 N C 1.741 177.257 175.510 0.010 0.000 1.027 119 N CA 1.169 54.237 53.050 0.030 0.000 0.849 119 N CB -0.054 38.443 38.487 0.015 0.000 1.002 119 N HN 0.213 nan 8.380 nan 0.000 0.425 120 L N 1.083 122.288 121.223 -0.031 0.000 2.044 120 L HA -0.054 4.285 4.340 -0.001 0.000 0.205 120 L C 0.389 177.190 176.870 -0.115 0.000 1.075 120 L CA 1.669 56.440 54.840 -0.115 0.000 0.747 120 L CB -0.719 41.199 42.059 -0.234 0.000 0.903 120 L HN 0.176 nan 8.230 nan 0.000 0.435 121 H N -0.633 118.468 119.070 0.052 0.000 2.970 121 H HA 0.363 4.918 4.556 -0.001 0.000 0.226 121 H C 0.878 176.246 175.328 0.068 0.000 1.909 121 H CA 0.291 56.380 56.048 0.068 0.000 1.388 121 H CB 0.283 30.098 29.762 0.089 0.000 1.773 121 H HN 0.423 nan 8.280 nan 0.000 0.559 122 A N 0.656 123.556 122.820 0.135 0.000 2.074 122 A HA 0.016 4.335 4.320 -0.001 0.000 0.200 122 A C 1.444 179.078 177.584 0.083 0.000 1.335 122 A CA -0.014 52.080 52.037 0.094 0.000 0.922 122 A CB 0.590 19.625 19.000 0.058 0.000 0.972 122 A HN 0.376 nan 8.150 nan 0.000 0.475 123 D N 0.353 120.803 120.400 0.084 0.000 2.325 123 D HA 0.162 4.801 4.640 -0.001 0.000 0.225 123 D C 0.600 176.966 176.300 0.109 0.000 1.096 123 D CA 0.445 54.493 54.000 0.081 0.000 0.844 123 D CB 0.480 41.315 40.800 0.058 0.000 0.925 123 D HN 0.303 nan 8.370 nan 0.000 0.513 124 S N -0.353 115.428 115.700 0.134 0.000 2.603 124 S HA 0.274 4.743 4.470 -0.001 0.000 0.232 124 S C 0.695 175.361 174.600 0.110 0.000 1.016 124 S CA -0.217 58.072 58.200 0.147 0.000 0.976 124 S CB 1.405 64.743 63.200 0.231 0.000 0.921 124 S HN 0.129 nan 8.310 nan 0.000 0.516 125 I N 1.220 121.836 120.570 0.076 0.000 2.533 125 I HA 0.554 4.723 4.170 -0.001 0.000 0.290 125 I C -1.269 174.820 176.117 -0.046 0.000 1.056 125 I CA -0.749 60.547 61.300 -0.006 0.000 1.057 125 I CB 2.353 40.341 38.000 -0.020 0.000 1.240 125 I HN -0.136 nan 8.210 nan 0.000 0.423 126 V N 5.466 125.317 119.914 -0.105 0.000 2.777 126 V HA 0.844 4.963 4.120 -0.001 0.000 0.306 126 V C -0.956 175.034 176.094 -0.174 0.000 1.112 126 V CA -0.177 62.062 62.300 -0.102 0.000 0.917 126 V CB 1.956 33.749 31.823 -0.050 0.000 1.018 126 V HN 0.819 nan 8.190 nan 0.000 0.426 127 A N 5.409 128.126 122.820 -0.173 0.000 2.324 127 A HA 0.880 5.199 4.320 -0.001 0.000 0.330 127 A C -0.546 176.955 177.584 -0.138 0.000 1.165 127 A CA -0.114 51.806 52.037 -0.193 0.000 0.813 127 A CB 1.696 20.569 19.000 -0.212 0.000 1.197 127 A HN 1.961 nan 8.150 nan 0.000 0.484 128 V N 1.327 121.163 119.914 -0.131 0.000 2.540 128 V HA 0.551 4.670 4.120 -0.001 0.000 0.302 128 V C -0.257 175.786 176.094 -0.086 0.000 1.035 128 V CA -0.804 61.435 62.300 -0.101 0.000 0.873 128 V CB 1.675 33.435 31.823 -0.105 0.000 0.992 128 V HN 0.818 nan 8.190 nan 0.000 0.428 129 N N 4.289 122.948 118.700 -0.068 0.000 3.050 129 N HA 0.592 5.331 4.740 -0.001 0.000 0.289 129 N C 0.044 175.527 175.510 -0.045 0.000 1.209 129 N CA 1.077 54.094 53.050 -0.054 0.000 1.154 129 N CB -0.067 38.392 38.487 -0.046 0.000 1.444 129 N HN 1.298 nan 8.380 nan 0.000 0.529 130 G N -1.301 107.469 108.800 -0.050 0.000 2.341 130 G HA2 0.466 4.426 3.960 -0.001 0.000 0.299 130 G HA3 0.466 4.426 3.960 -0.001 0.000 0.299 130 G C -0.493 174.378 174.900 -0.049 0.000 1.274 130 G CA -0.281 44.794 45.100 -0.042 0.000 0.853 130 G HN 0.425 nan 8.290 nan 0.000 0.493 131 G N -1.396 107.378 108.800 -0.044 0.000 2.568 131 G HA2 0.567 4.526 3.960 -0.001 0.000 0.293 131 G HA3 0.567 4.526 3.960 -0.001 0.000 0.293 131 G C 1.086 175.942 174.900 -0.074 0.000 1.347 131 G CA 0.178 45.249 45.100 -0.049 0.000 1.039 131 G HN 1.160 nan 8.290 nan 0.000 0.523 132 L N -0.304 120.868 121.223 -0.085 0.000 2.043 132 L HA -0.103 4.237 4.340 -0.001 0.000 0.212 132 L C 2.551 179.329 176.870 -0.154 0.000 1.075 132 L CA 2.813 57.566 54.840 -0.144 0.000 0.752 132 L CB -0.517 41.441 42.059 -0.168 0.000 0.891 132 L HN 0.841 nan 8.230 nan 0.000 0.432 133 E N -1.126 119.016 120.200 -0.096 0.000 2.085 133 E HA -0.310 4.039 4.350 -0.001 0.000 0.194 133 E C 2.088 178.648 176.600 -0.068 0.000 0.994 133 E CA 1.495 57.853 56.400 -0.070 0.000 0.801 133 E CB -0.048 29.639 29.700 -0.023 0.000 0.743 133 E HN 0.596 nan 8.360 nan 0.000 0.453 134 Q N 0.161 119.924 119.800 -0.062 0.000 2.167 134 Q HA -0.055 4.284 4.340 -0.001 0.000 0.202 134 Q C 1.899 177.852 176.000 -0.080 0.000 0.970 134 Q CA 1.557 57.327 55.803 -0.056 0.000 0.855 134 Q CB -0.331 28.378 28.738 -0.049 0.000 0.911 134 Q HN 0.397 nan 8.270 nan 0.000 0.438 135 A N 0.245 123.000 122.820 -0.110 0.000 1.902 135 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 135 A C 1.999 179.492 177.584 -0.151 0.000 1.181 135 A CA 1.162 53.113 52.037 -0.142 0.000 0.623 135 A CB -0.694 18.208 19.000 -0.163 0.000 0.818 135 A HN 0.357 nan 8.150 nan 0.000 0.443 136 L N -1.180 119.951 121.223 -0.154 0.000 2.141 136 L HA -0.138 4.201 4.340 -0.001 0.000 0.209 136 L C 2.769 179.593 176.870 -0.078 0.000 1.094 136 L CA 1.472 56.231 54.840 -0.134 0.000 0.763 136 L CB -0.441 41.529 42.059 -0.148 0.000 0.908 136 L HN 0.455 nan 8.230 nan 0.000 0.437 137 R N 0.481 120.945 120.500 -0.059 0.000 2.075 137 R HA -0.144 4.195 4.340 -0.001 0.000 0.232 137 R C 2.395 178.688 176.300 -0.012 0.000 1.126 137 R CA 1.103 57.187 56.100 -0.027 0.000 0.963 137 R CB -0.151 30.138 30.300 -0.018 0.000 0.858 137 R HN 0.312 nan 8.270 nan 0.000 0.435 138 L N 0.736 121.940 121.223 -0.033 0.000 1.989 138 L HA -0.212 4.127 4.340 -0.001 0.000 0.211 138 L C 1.964 178.851 176.870 0.028 0.000 1.071 138 L CA 1.376 56.213 54.840 -0.005 0.000 0.749 138 L CB -0.334 41.675 42.059 -0.084 0.000 0.890 138 L HN 0.291 nan 8.230 nan 0.000 0.431 139 L N 0.185 121.352 121.223 -0.093 0.000 2.261 139 L HA -0.153 4.187 4.340 -0.001 0.000 0.216 139 L C 2.669 179.575 176.870 0.059 0.000 1.114 139 L CA 1.795 56.592 54.840 -0.072 0.000 0.777 139 L CB -1.610 40.371 42.059 -0.130 0.000 0.910 139 L HN 0.290 nan 8.230 nan 0.000 0.440 140 A N -1.302 121.539 122.820 0.035 0.000 2.167 140 A HA 0.027 4.347 4.320 -0.001 0.000 0.214 140 A C 1.417 179.042 177.584 0.068 0.000 1.151 140 A CA 0.583 52.641 52.037 0.034 0.000 0.735 140 A CB -0.527 18.476 19.000 0.005 0.000 0.802 140 A HN 0.473 nan 8.150 nan 0.000 0.467 141 S N -0.420 115.348 115.700 0.112 0.000 2.585 141 S HA 0.275 4.744 4.470 -0.001 0.000 0.273 141 S C -1.652 172.992 174.600 0.073 0.000 1.339 141 S CA -0.754 57.504 58.200 0.096 0.000 1.028 141 S CB 0.593 63.862 63.200 0.116 0.000 0.906 141 S HN 0.060 nan 8.310 nan 0.000 0.528 142 P HA -0.194 nan 4.420 nan 0.000 0.217 142 P C 1.198 178.472 177.300 -0.043 0.000 1.148 142 P CA 1.455 64.558 63.100 0.006 0.000 0.834 142 P CB -0.185 31.518 31.700 0.004 0.000 0.783 143 N N -2.270 116.351 118.700 -0.133 0.000 2.463 143 N HA -0.113 4.626 4.740 -0.001 0.000 0.181 143 N C 0.927 176.221 175.510 -0.360 0.000 1.078 143 N CA 1.076 53.960 53.050 -0.277 0.000 0.902 143 N CB -0.590 37.648 38.487 -0.415 0.000 0.970 143 N HN 0.247 nan 8.380 nan 0.000 0.451 144 Y N 0.427 120.728 120.300 0.002 0.000 2.535 144 Y HA 0.326 4.875 4.550 -0.001 0.000 0.264 144 Y C 0.584 176.484 175.900 0.000 0.000 1.087 144 Y CA 0.041 58.141 58.100 -0.000 0.000 1.285 144 Y CB 0.451 38.907 38.460 -0.006 0.000 1.200 144 Y HN -0.101 nan 8.280 nan 0.000 0.514 145 T N 3.659 118.291 114.554 0.130 0.000 2.792 145 T HA 0.237 4.586 4.350 -0.001 0.000 0.280 145 T C -2.106 172.621 174.700 0.044 0.000 0.990 145 T CA -1.350 60.794 62.100 0.074 0.000 0.960 145 T CB 2.047 70.949 68.868 0.057 0.000 0.939 145 T HN -0.051 nan 8.240 nan 0.000 0.439 146 P HA 0.061 nan 4.420 nan 0.000 0.255 146 P C 1.453 178.779 177.300 0.043 0.000 1.248 146 P CA 0.084 63.204 63.100 0.034 0.000 0.807 146 P CB 0.147 31.858 31.700 0.019 0.000 1.150 147 S N 0.147 115.874 115.700 0.046 0.000 2.392 147 S HA -0.116 4.353 4.470 -0.001 0.000 0.232 147 S C 1.173 175.813 174.600 0.066 0.000 1.041 147 S CA 0.689 58.918 58.200 0.049 0.000 1.026 147 S CB -1.034 62.190 63.200 0.039 0.000 0.845 147 S HN 0.008 nan 8.310 nan 0.000 0.465 148 I N 2.768 123.391 120.570 0.088 0.000 2.379 148 I HA 0.264 4.433 4.170 -0.001 0.000 0.290 148 I C 1.496 177.643 176.117 0.049 0.000 1.063 148 I CA -0.176 61.171 61.300 0.079 0.000 1.351 148 I CB 0.775 38.830 38.000 0.090 0.000 1.410 148 I HN 0.476 nan 8.210 nan 0.000 0.505 149 E N 4.591 124.816 120.200 0.041 0.000 2.028 149 E HA -0.083 4.266 4.350 -0.001 0.000 0.191 149 E C -0.169 176.433 176.600 0.004 0.000 0.988 149 E CA 1.155 57.573 56.400 0.030 0.000 0.799 149 E CB 0.420 30.140 29.700 0.033 0.000 0.755 149 E HN 0.634 nan 8.360 nan 0.000 0.447 150 T N 0.414 114.954 114.554 -0.024 0.000 2.916 150 T HA 0.420 4.769 4.350 -0.001 0.000 0.298 150 T C -1.209 173.379 174.700 -0.188 0.000 1.031 150 T CA -0.725 61.287 62.100 -0.147 0.000 0.993 150 T CB 2.147 70.850 68.868 -0.274 0.000 1.045 150 T HN -0.106 nan 8.240 nan 0.000 0.454 151 V N 3.627 123.425 119.914 -0.193 0.000 2.394 151 V HA 0.443 4.562 4.120 -0.001 0.000 0.282 151 V C -1.176 174.840 176.094 -0.131 0.000 1.031 151 V CA -0.611 61.643 62.300 -0.077 0.000 0.881 151 V CB 0.536 32.375 31.823 0.026 0.000 0.982 151 V HN 0.790 nan 8.190 nan 0.000 0.451 152 Y N 2.913 123.288 120.300 0.126 0.000 2.341 152 Y HA 0.422 4.971 4.550 -0.001 0.000 0.338 152 Y C 0.334 176.353 175.900 0.197 0.000 0.965 152 Y CA -0.527 57.672 58.100 0.165 0.000 1.108 152 Y CB 1.682 40.159 38.460 0.028 0.000 1.180 152 Y HN 0.664 nan 8.280 nan 0.000 0.458 153 C N 7.059 126.650 119.300 0.484 0.000 2.394 153 C HA 0.469 4.929 4.460 -0.001 0.000 0.362 153 C C 1.263 176.487 174.990 0.391 0.000 1.268 153 C CA -0.572 58.662 59.018 0.360 0.000 1.828 153 C CB -1.912 26.119 27.740 0.485 0.000 2.442 153 C HN 0.915 nan 8.230 nan 0.000 0.549 154 I N 4.401 125.128 120.570 0.262 0.000 3.927 154 I HA 0.605 4.775 4.170 -0.001 0.000 0.332 154 I C 0.584 176.742 176.117 0.067 0.000 1.485 154 I CA 0.306 61.794 61.300 0.314 0.000 1.131 154 I CB -0.403 37.860 38.000 0.437 0.000 1.092 154 I HN 0.877 nan 8.210 nan 0.000 0.410 155 G N -0.088 108.505 108.800 -0.345 0.000 2.326 155 G HA2 0.429 4.388 3.960 -0.001 0.000 0.413 155 G HA3 0.429 4.388 3.960 -0.001 0.000 0.413 155 G C -0.390 174.136 174.900 -0.622 0.000 1.444 155 G CA -0.145 44.488 45.100 -0.779 0.000 1.002 155 G HN 1.198 nan 8.290 nan 0.000 0.649 156 G N -1.384 107.076 108.800 -0.567 0.000 3.363 156 G HA2 0.488 4.447 3.960 -0.001 0.000 0.685 156 G HA3 0.488 4.447 3.960 -0.001 0.000 0.685 156 G C 1.206 175.970 174.900 -0.227 0.000 1.199 156 G CA 0.846 45.787 45.100 -0.265 0.000 0.946 156 G HN 2.257 nan 8.290 nan 0.000 0.558 157 G N 1.437 110.242 108.800 0.008 0.000 2.476 157 G HA2 -0.034 3.925 3.960 -0.001 0.000 0.218 157 G HA3 -0.034 3.925 3.960 -0.001 0.000 0.218 157 G C 2.400 177.395 174.900 0.159 0.000 1.164 157 G CA 2.489 47.705 45.100 0.194 0.000 0.768 157 G HN 2.178 nan 8.290 nan 0.000 0.560 158 S N 0.245 115.986 115.700 0.068 0.000 2.370 158 S HA -0.132 4.337 4.470 -0.001 0.000 0.226 158 S C 2.305 176.938 174.600 0.055 0.000 1.033 158 S CA 1.719 59.957 58.200 0.062 0.000 1.011 158 S CB -0.604 62.613 63.200 0.028 0.000 0.852 158 S HN 0.158 nan 8.310 nan 0.000 0.457 159 V N 0.526 120.429 119.914 -0.017 0.000 2.358 159 V HA -0.114 4.005 4.120 -0.001 0.000 0.246 159 V C 2.423 178.577 176.094 0.101 0.000 1.047 159 V CA 1.684 63.965 62.300 -0.031 0.000 1.035 159 V CB -1.217 30.519 31.823 -0.146 0.000 0.658 159 V HN 0.426 nan 8.190 nan 0.000 0.452 160 Y N 1.025 121.430 120.300 0.175 0.000 2.128 160 Y HA -0.184 4.365 4.550 -0.001 0.000 0.284 160 Y C 2.611 178.671 175.900 0.267 0.000 1.154 160 Y CA 0.981 59.255 58.100 0.291 0.000 1.149 160 Y CB -1.368 37.353 38.460 0.434 0.000 0.976 160 Y HN 0.189 nan 8.280 nan 0.000 0.505 161 A N -0.063 122.973 122.820 0.360 0.000 1.908 161 A HA -0.277 4.043 4.320 -0.001 0.000 0.218 161 A C 2.244 179.929 177.584 0.169 0.000 1.181 161 A CA 1.970 54.136 52.037 0.216 0.000 0.627 161 A CB -0.820 18.276 19.000 0.161 0.000 0.818 161 A HN 0.545 nan 8.150 nan 0.000 0.445 162 E N -0.296 119.994 120.200 0.150 0.000 2.150 162 E HA -0.063 4.286 4.350 -0.001 0.000 0.193 162 E C 1.935 178.627 176.600 0.153 0.000 0.985 162 E CA 0.843 57.311 56.400 0.112 0.000 0.814 162 E CB -0.214 29.523 29.700 0.062 0.000 0.752 162 E HN 0.553 nan 8.360 nan 0.000 0.466 163 A N 0.534 123.496 122.820 0.236 0.000 2.066 163 A HA 0.001 4.321 4.320 -0.001 0.000 0.218 163 A C 1.860 179.656 177.584 0.353 0.000 1.157 163 A CA 0.498 52.769 52.037 0.391 0.000 0.670 163 A CB -0.126 19.219 19.000 0.574 0.000 0.804 163 A HN 0.293 nan 8.150 nan 0.000 0.453 164 L N -0.239 121.129 121.223 0.243 0.000 2.628 164 L HA 0.166 4.505 4.340 -0.001 0.000 0.229 164 L C 0.786 177.719 176.870 0.105 0.000 1.137 164 L CA -0.161 54.772 54.840 0.156 0.000 0.909 164 L CB -0.258 41.838 42.059 0.062 0.000 1.137 164 L HN 0.492 nan 8.230 nan 0.000 0.470 165 R N -1.132 119.429 120.500 0.102 0.000 2.854 165 R HA 0.641 4.980 4.340 -0.001 0.000 0.271 165 R C -3.006 173.319 176.300 0.041 0.000 0.994 165 R CA -2.088 54.048 56.100 0.060 0.000 0.945 165 R CB 0.654 30.992 30.300 0.064 0.000 1.194 165 R HN -0.299 nan 8.270 nan 0.000 0.476 166 P HA 0.084 nan 4.420 nan 0.000 0.272 166 P C -1.796 175.564 177.300 0.101 0.000 1.223 166 P CA -1.096 62.035 63.100 0.053 0.000 0.784 166 P CB 0.511 32.300 31.700 0.149 0.000 0.923 167 P HA 0.003 nan 4.420 nan 0.000 0.235 167 P C 0.535 177.952 177.300 0.195 0.000 1.177 167 P CA 0.610 63.831 63.100 0.202 0.000 0.785 167 P CB -0.112 31.683 31.700 0.159 0.000 0.885 168 C N 0.422 119.817 119.300 0.157 0.000 2.425 168 C HA -0.095 4.364 4.460 -0.001 0.000 0.277 168 C C 2.902 178.087 174.990 0.325 0.000 1.280 168 C CA 1.140 60.304 59.018 0.243 0.000 1.744 168 C CB -1.522 26.335 27.740 0.196 0.000 1.989 168 C HN 0.203 nan 8.230 nan 0.000 0.491 169 V N -0.584 119.423 119.914 0.155 0.000 2.469 169 V HA -0.248 3.872 4.120 -0.001 0.000 0.251 169 V C 2.141 178.260 176.094 0.043 0.000 1.064 169 V CA 2.119 64.483 62.300 0.107 0.000 1.066 169 V CB -1.275 30.537 31.823 -0.018 0.000 0.667 169 V HN 0.614 nan 8.190 nan 0.000 0.461 170 H N -0.166 119.014 119.070 0.183 0.000 2.545 170 H HA 0.149 4.705 4.556 -0.001 0.000 0.282 170 H C 1.541 176.965 175.328 0.161 0.000 1.020 170 H CA 1.106 57.235 56.048 0.134 0.000 1.243 170 H CB 0.259 30.092 29.762 0.119 0.000 1.377 170 H HN 0.413 nan 8.280 nan 0.000 0.581 171 L N 0.122 121.514 121.223 0.283 0.000 2.766 171 L HA 0.117 4.456 4.340 -0.001 0.000 0.242 171 L C 0.248 177.169 176.870 0.085 0.000 1.136 171 L CA 0.034 55.029 54.840 0.260 0.000 0.933 171 L CB 0.283 42.527 42.059 0.307 0.000 1.241 171 L HN -0.003 nan 8.230 nan 0.000 0.522 172 L N 0.217 121.414 121.223 -0.044 0.000 2.342 172 L HA 0.161 4.500 4.340 -0.001 0.000 0.285 172 L C 1.229 178.079 176.870 -0.035 0.000 1.095 172 L CA 0.841 55.471 54.840 -0.351 0.000 0.843 172 L CB 0.451 42.434 42.059 -0.127 0.000 1.201 172 L HN 0.277 nan 8.230 nan 0.000 0.445 173 Q N 4.071 123.823 119.800 -0.080 0.000 2.331 173 Q HA 0.343 4.683 4.340 -0.001 0.000 0.203 173 Q C 0.075 176.126 176.000 0.085 0.000 0.944 173 Q CA 0.754 56.575 55.803 0.030 0.000 0.892 173 Q CB 0.363 29.130 28.738 0.049 0.000 0.983 173 Q HN 0.786 nan 8.270 nan 0.000 0.482 174 A N 0.566 123.445 122.820 0.097 0.000 2.594 174 A HA 0.583 4.902 4.320 -0.001 0.000 0.296 174 A C -1.641 175.947 177.584 0.007 0.000 1.056 174 A CA -0.688 51.391 52.037 0.071 0.000 0.693 174 A CB 1.100 20.060 19.000 -0.067 0.000 1.278 174 A HN 0.151 nan 8.150 nan 0.000 0.408 175 I N 1.785 122.286 120.570 -0.114 0.000 2.411 175 I HA 0.320 4.490 4.170 -0.001 0.000 0.284 175 I C -1.477 174.554 176.117 -0.142 0.000 1.012 175 I CA -0.354 60.874 61.300 -0.119 0.000 1.119 175 I CB 1.408 39.228 38.000 -0.300 0.000 1.261 175 I HN 0.635 nan 8.210 nan 0.000 0.448 176 Y N 5.894 126.269 120.300 0.124 0.000 2.434 176 Y HA 0.444 4.993 4.550 -0.001 0.000 0.341 176 Y C 0.343 176.325 175.900 0.137 0.000 0.965 176 Y CA -0.464 57.752 58.100 0.193 0.000 1.205 176 Y CB 0.816 39.462 38.460 0.312 0.000 1.121 176 Y HN 0.443 nan 8.280 nan 0.000 0.507 177 R N 2.030 122.638 120.500 0.180 0.000 2.393 177 R HA 0.506 4.845 4.340 -0.001 0.000 0.315 177 R C -1.139 175.181 176.300 0.033 0.000 0.952 177 R CA -0.421 55.718 56.100 0.064 0.000 0.842 177 R CB 1.011 31.316 30.300 0.007 0.000 1.163 177 R HN 0.536 nan 8.270 nan 0.000 0.450 178 T N 3.089 117.640 114.554 -0.005 0.000 2.767 178 T HA 0.247 4.596 4.350 -0.001 0.000 0.284 178 T C -0.436 174.049 174.700 -0.358 0.000 0.973 178 T CA -0.191 61.811 62.100 -0.163 0.000 0.996 178 T CB 1.537 70.382 68.868 -0.038 0.000 0.927 178 T HN 0.448 nan 8.240 nan 0.000 0.456 179 T N 4.761 118.917 114.554 -0.663 0.000 2.767 179 T HA 0.429 4.779 4.350 -0.001 0.000 0.284 179 T C 0.019 174.311 174.700 -0.680 0.000 0.973 179 T CA -0.664 61.012 62.100 -0.707 0.000 0.996 179 T CB 0.348 68.635 68.868 -0.969 0.000 0.927 179 T HN 0.317 nan 8.240 nan 0.000 0.456 180 I N 3.844 124.028 120.570 -0.644 0.000 2.304 180 I HA 0.281 4.451 4.170 -0.001 0.000 0.291 180 I C 0.938 176.787 176.117 -0.446 0.000 1.018 180 I CA -0.714 60.199 61.300 -0.644 0.000 1.260 180 I CB 0.948 38.232 38.000 -1.193 0.000 1.390 180 I HN 0.438 nan 8.210 nan 0.000 0.475 181 R N 4.890 125.230 120.500 -0.267 0.000 4.556 181 R HA 0.297 4.637 4.340 -0.001 0.000 0.197 181 R C 0.193 176.410 176.300 -0.138 0.000 1.791 181 R CA -0.235 55.769 56.100 -0.160 0.000 1.526 181 R CB -0.285 29.971 30.300 -0.074 0.000 1.410 181 R HN 0.639 nan 8.270 nan 0.000 0.826 182 A N 1.030 123.744 122.820 -0.176 0.000 2.492 182 A HA 0.045 4.364 4.320 -0.001 0.000 0.254 182 A C 1.623 179.197 177.584 -0.016 0.000 1.091 182 A CA 0.049 52.035 52.037 -0.085 0.000 0.768 182 A CB 0.646 19.613 19.000 -0.054 0.000 1.028 182 A HN 0.567 nan 8.150 nan 0.000 0.498 183 S N 1.983 117.687 115.700 0.007 0.000 2.377 183 S HA -0.140 4.329 4.470 -0.001 0.000 0.224 183 S C 0.790 175.421 174.600 0.051 0.000 1.042 183 S CA 1.740 59.955 58.200 0.025 0.000 1.086 183 S CB -0.261 62.956 63.200 0.027 0.000 0.995 183 S HN 0.765 nan 8.310 nan 0.000 0.428 184 E N 1.056 121.294 120.200 0.064 0.000 2.183 184 E HA 0.485 4.834 4.350 -0.001 0.000 0.271 184 E C -1.087 175.581 176.600 0.114 0.000 0.919 184 E CA -0.261 56.189 56.400 0.084 0.000 0.781 184 E CB 1.903 31.643 29.700 0.066 0.000 1.140 184 E HN 0.495 nan 8.360 nan 0.000 0.402 185 S N 0.445 116.232 115.700 0.145 0.000 2.557 185 S HA 0.515 4.984 4.470 -0.001 0.000 0.291 185 S C -0.250 174.439 174.600 0.148 0.000 1.116 185 S CA -0.808 57.500 58.200 0.180 0.000 0.992 185 S CB 1.590 64.947 63.200 0.262 0.000 1.028 185 S HN 0.200 nan 8.310 nan 0.000 0.484 186 S N 2.097 117.866 115.700 0.115 0.000 2.539 186 S HA 0.360 4.830 4.470 -0.001 0.000 0.185 186 S C -0.295 174.322 174.600 0.028 0.000 1.181 186 S CA -0.455 57.793 58.200 0.079 0.000 1.216 186 S CB -0.838 62.396 63.200 0.056 0.000 1.476 186 S HN 0.881 nan 8.310 nan 0.000 0.395 187 C N 1.581 120.868 119.300 -0.022 0.000 2.422 187 C HA 0.652 5.111 4.460 -0.001 0.000 0.364 187 C C 1.927 176.749 174.990 -0.280 0.000 1.251 187 C CA -0.189 58.701 59.018 -0.213 0.000 2.441 187 C CB 1.171 28.686 27.740 -0.376 0.000 2.393 187 C HN 0.824 nan 8.230 nan 0.000 0.606 188 S N -1.032 114.494 115.700 -0.290 0.000 2.632 188 S HA 0.226 4.695 4.470 -0.001 0.000 0.237 188 S C -0.260 174.284 174.600 -0.095 0.000 1.037 188 S CA -0.085 58.071 58.200 -0.073 0.000 1.009 188 S CB -0.137 63.069 63.200 0.009 0.000 0.974 188 S HN 0.522 nan 8.310 nan 0.000 0.544 189 V N 2.674 122.363 119.914 -0.375 0.000 2.487 189 V HA 0.661 4.780 4.120 -0.001 0.000 0.298 189 V C -1.069 174.808 176.094 -0.362 0.000 1.028 189 V CA -0.715 61.497 62.300 -0.146 0.000 0.860 189 V CB 0.932 32.725 31.823 -0.050 0.000 0.991 189 V HN 0.323 nan 8.190 nan 0.000 0.427 190 F N 3.474 123.517 119.950 0.155 0.000 2.661 190 F HA 0.825 5.352 4.527 -0.001 0.000 0.347 190 F C -0.539 175.426 175.800 0.274 0.000 1.086 190 F CA -1.218 56.897 58.000 0.190 0.000 1.016 190 F CB 1.698 40.776 39.000 0.130 0.000 1.368 190 F HN 0.441 nan 8.300 nan 0.000 0.505 191 F N 1.212 121.328 119.950 0.277 0.000 2.650 191 F HA 0.676 5.202 4.527 -0.001 0.000 0.310 191 F C -1.535 174.306 175.800 0.068 0.000 1.112 191 F CA -0.710 57.360 58.000 0.117 0.000 0.986 191 F CB 1.565 40.543 39.000 -0.036 0.000 1.285 191 F HN 0.544 nan 8.300 nan 0.000 0.440 192 R N 4.575 124.566 120.500 -0.848 0.000 2.808 192 R HA 0.539 4.878 4.340 -0.001 0.000 0.254 192 R C -2.372 173.515 176.300 -0.689 0.000 1.145 192 R CA -1.010 54.726 56.100 -0.607 0.000 1.066 192 R CB 0.572 30.754 30.300 -0.196 0.000 1.268 192 R HN 0.424 nan 8.270 nan 0.000 0.447 193 V N 3.082 122.642 119.914 -0.591 0.000 2.715 193 V HA 0.300 4.419 4.120 -0.001 0.000 0.299 193 V C -1.425 174.541 176.094 -0.212 0.000 1.054 193 V CA -1.179 60.853 62.300 -0.446 0.000 1.077 193 V CB 0.713 32.267 31.823 -0.449 0.000 0.972 193 V HN 0.731 nan 8.190 nan 0.000 0.484 194 P HA 0.325 nan 4.420 nan 0.000 0.279 194 P C -0.652 176.694 177.300 0.076 0.000 1.239 194 P CA -0.558 62.543 63.100 0.000 0.000 0.789 194 P CB 1.001 32.727 31.700 0.042 0.000 0.933 195 E N 0.707 120.937 120.200 0.052 0.000 2.408 195 E HA 0.170 4.519 4.350 -0.001 0.000 0.259 195 E C 0.271 176.924 176.600 0.089 0.000 1.110 195 E CA 0.017 56.459 56.400 0.071 0.000 0.929 195 E CB -0.082 29.641 29.700 0.038 0.000 0.971 195 E HN 0.297 nan 8.360 nan 0.000 0.438 196 S N 0.824 116.576 115.700 0.086 0.000 2.563 196 S HA 0.338 4.808 4.470 -0.001 0.000 0.284 196 S C 1.414 176.037 174.600 0.039 0.000 1.331 196 S CA 0.389 58.626 58.200 0.060 0.000 1.047 196 S CB 0.437 63.662 63.200 0.041 0.000 0.859 196 S HN 0.811 nan 8.310 nan 0.000 0.514 197 G N 1.536 110.353 108.800 0.029 0.000 2.267 197 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.257 197 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.257 197 G C 0.340 175.255 174.900 0.025 0.000 0.998 197 G CA 0.432 45.544 45.100 0.022 0.000 0.620 197 G HN 1.168 nan 8.290 nan 0.000 0.529 198 T N -1.284 113.290 114.554 0.033 0.000 2.904 198 T HA 0.604 4.953 4.350 -0.001 0.000 0.290 198 T C 1.179 175.901 174.700 0.036 0.000 1.018 198 T CA 0.523 62.641 62.100 0.030 0.000 1.075 198 T CB 1.731 70.616 68.868 0.028 0.000 0.986 198 T HN 0.355 nan 8.240 nan 0.000 0.523 199 E N 1.463 121.682 120.200 0.031 0.000 2.085 199 E HA -0.165 4.184 4.350 -0.001 0.000 0.194 199 E C 2.437 179.063 176.600 0.044 0.000 0.994 199 E CA 1.215 57.637 56.400 0.036 0.000 0.801 199 E CB -0.454 29.265 29.700 0.030 0.000 0.743 199 E HN 0.861 nan 8.360 nan 0.000 0.453 200 A N 1.431 124.274 122.820 0.038 0.000 2.076 200 A HA -0.107 4.213 4.320 -0.001 0.000 0.220 200 A C 2.331 179.951 177.584 0.060 0.000 1.160 200 A CA 1.537 53.598 52.037 0.040 0.000 0.653 200 A CB -0.467 18.547 19.000 0.023 0.000 0.801 200 A HN 0.291 nan 8.150 nan 0.000 0.455 201 A N -1.293 121.571 122.820 0.074 0.000 2.066 201 A HA 0.410 4.729 4.320 -0.001 0.000 0.218 201 A C 1.575 179.211 177.584 0.087 0.000 1.157 201 A CA 1.231 53.336 52.037 0.114 0.000 0.670 201 A CB -0.877 18.192 19.000 0.116 0.000 0.804 201 A HN 2.060 nan 8.150 nan 0.000 0.453 202 A N -2.035 120.829 122.820 0.075 0.000 2.610 202 A HA 0.199 4.519 4.320 -0.001 0.000 0.299 202 A C 1.860 179.513 177.584 0.114 0.000 1.487 202 A CA 1.267 53.365 52.037 0.102 0.000 0.743 202 A CB -2.077 16.982 19.000 0.097 0.000 1.070 202 A HN 2.511 nan 8.150 nan 0.000 0.439 203 G N -2.075 106.763 108.800 0.063 0.000 2.175 203 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.265 203 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.265 203 G C 0.201 175.089 174.900 -0.019 0.000 0.979 203 G CA 0.704 45.822 45.100 0.031 0.000 0.663 203 G HN 1.569 nan 8.290 nan 0.000 0.533 204 I N 0.631 121.171 120.570 -0.049 0.000 2.365 204 I HA 0.351 4.520 4.170 -0.001 0.000 0.291 204 I C 0.192 176.157 176.117 -0.253 0.000 1.004 204 I CA -0.355 60.812 61.300 -0.223 0.000 1.311 204 I CB 1.304 39.101 38.000 -0.338 0.000 1.401 204 I HN 0.068 nan 8.210 nan 0.000 0.491 205 E N 5.877 125.890 120.200 -0.311 0.000 2.256 205 E HA 0.180 4.529 4.350 -0.001 0.000 0.243 205 E C -1.513 174.950 176.600 -0.229 0.000 0.925 205 E CA -0.572 55.721 56.400 -0.178 0.000 0.748 205 E CB 0.740 30.380 29.700 -0.099 0.000 1.206 205 E HN 0.383 nan 8.360 nan 0.000 0.428 206 W N 2.921 124.218 121.300 -0.006 0.000 2.322 206 W HA 0.020 4.679 4.660 -0.002 0.000 0.328 206 W C 0.711 177.227 176.519 -0.005 0.000 1.395 206 W CA -0.171 57.169 57.345 -0.008 0.000 1.267 206 W CB 0.486 29.943 29.460 -0.005 0.000 1.259 206 W HN 0.216 nan 8.180 nan 0.000 0.560 207 Q N 2.697 122.608 119.800 0.186 0.000 2.257 207 Q HA 0.360 4.699 4.340 -0.001 0.000 0.262 207 Q C -0.447 175.635 176.000 0.138 0.000 0.997 207 Q CA -1.329 54.544 55.803 0.116 0.000 0.873 207 Q CB 2.011 30.782 28.738 0.054 0.000 1.312 207 Q HN 0.490 nan 8.270 nan 0.000 0.450 208 R N 1.592 122.151 120.500 0.099 0.000 2.204 208 R HA 0.091 4.430 4.340 -0.001 0.000 0.341 208 R C 0.823 177.170 176.300 0.077 0.000 1.035 208 R CA 0.111 56.263 56.100 0.087 0.000 0.887 208 R CB 0.478 30.819 30.300 0.069 0.000 1.114 208 R HN 0.750 nan 8.270 nan 0.000 0.473 209 E N 2.501 122.749 120.200 0.081 0.000 2.086 209 E HA -0.044 4.305 4.350 -0.001 0.000 0.190 209 E C -0.315 176.341 176.600 0.094 0.000 0.975 209 E CA 1.233 57.691 56.400 0.097 0.000 0.813 209 E CB 0.400 30.160 29.700 0.101 0.000 0.768 209 E HN 0.725 nan 8.360 nan 0.000 0.457 210 T N -1.663 112.941 114.554 0.084 0.000 2.868 210 T HA 0.605 4.955 4.350 -0.001 0.000 0.306 210 T C -0.684 174.072 174.700 0.093 0.000 1.224 210 T CA -0.905 61.248 62.100 0.088 0.000 1.012 210 T CB 1.936 70.867 68.868 0.105 0.000 1.221 210 T HN 0.128 nan 8.240 nan 0.000 0.499 211 I N 1.927 122.548 120.570 0.084 0.000 2.649 211 I HA 0.506 4.675 4.170 -0.001 0.000 0.289 211 I C -0.091 176.071 176.117 0.074 0.000 1.222 211 I CA -0.482 60.874 61.300 0.092 0.000 1.046 211 I CB 2.039 40.062 38.000 0.037 0.000 1.272 211 I HN 1.099 nan 8.210 nan 0.000 0.425 212 S N 5.251 121.026 115.700 0.125 0.000 2.624 212 S HA 0.371 4.840 4.470 -0.001 0.000 0.263 212 S C -0.012 174.590 174.600 0.003 0.000 1.287 212 S CA -0.559 57.701 58.200 0.100 0.000 0.990 212 S CB 0.979 64.308 63.200 0.215 0.000 0.950 212 S HN 0.739 nan 8.310 nan 0.000 0.561 213 E N -0.097 120.089 120.200 -0.023 0.000 2.371 213 E HA 0.180 4.529 4.350 -0.001 0.000 0.257 213 E C -0.245 176.277 176.600 -0.130 0.000 1.134 213 E CA -0.738 55.613 56.400 -0.081 0.000 0.919 213 E CB 0.388 30.051 29.700 -0.061 0.000 1.025 213 E HN 0.765 nan 8.360 nan 0.000 0.438 214 E N 1.648 121.750 120.200 -0.162 0.000 2.366 214 E HA 0.104 4.454 4.350 -0.001 0.000 0.266 214 E C -0.876 175.566 176.600 -0.264 0.000 1.015 214 E CA -0.190 56.094 56.400 -0.193 0.000 0.906 214 E CB 0.479 30.086 29.700 -0.155 0.000 0.979 214 E HN 0.365 nan 8.360 nan 0.000 0.443 215 L N 3.247 124.167 121.223 -0.506 0.000 2.330 215 L HA 0.432 4.771 4.340 -0.001 0.000 0.271 215 L C -0.110 176.468 176.870 -0.486 0.000 1.013 215 L CA -0.936 53.546 54.840 -0.597 0.000 0.816 215 L CB 2.188 43.652 42.059 -0.992 0.000 1.287 215 L HN 0.487 nan 8.230 nan 0.000 0.435 216 T N 0.402 114.862 114.554 -0.158 0.000 2.770 216 T HA 0.216 4.566 4.350 -0.001 0.000 0.283 216 T C -0.090 174.735 174.700 0.208 0.000 0.988 216 T CA -0.355 61.761 62.100 0.027 0.000 0.957 216 T CB 1.493 70.368 68.868 0.010 0.000 0.930 216 T HN 0.548 nan 8.240 nan 0.000 0.443 217 S N 1.892 117.763 115.700 0.285 0.000 2.565 217 S HA 0.428 4.898 4.470 -0.001 0.000 0.276 217 S C 1.088 175.749 174.600 0.101 0.000 1.326 217 S CA -0.650 57.674 58.200 0.208 0.000 1.045 217 S CB 0.331 63.572 63.200 0.069 0.000 0.918 217 S HN 0.817 nan 8.310 nan 0.000 0.505 218 A N 3.964 126.831 122.820 0.078 0.000 2.476 218 A HA 0.175 4.495 4.320 -0.001 0.000 0.263 218 A C 1.277 178.881 177.584 0.034 0.000 1.342 218 A CA 0.041 52.109 52.037 0.052 0.000 0.926 218 A CB -1.239 17.791 19.000 0.050 0.000 1.019 218 A HN 1.002 nan 8.150 nan 0.000 0.515 219 N N -1.274 117.443 118.700 0.029 0.000 2.521 219 N HA 0.199 4.938 4.740 -0.001 0.000 0.188 219 N C 1.148 176.671 175.510 0.023 0.000 1.146 219 N CA 0.709 53.772 53.050 0.021 0.000 0.893 219 N CB 0.054 38.552 38.487 0.018 0.000 0.975 219 N HN 0.468 nan 8.380 nan 0.000 0.451 220 G N 0.900 109.715 108.800 0.025 0.000 2.254 220 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.225 220 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.225 220 G C 0.435 175.348 174.900 0.022 0.000 1.003 220 G CA 0.169 45.281 45.100 0.021 0.000 0.622 220 G HN 0.455 nan 8.290 nan 0.000 0.507 221 N N 1.105 119.819 118.700 0.024 0.000 2.204 221 N HA 0.401 5.140 4.740 -0.001 0.000 0.219 221 N C 0.558 176.081 175.510 0.023 0.000 1.151 221 N CA 0.517 53.580 53.050 0.023 0.000 0.867 221 N CB 0.327 38.829 38.487 0.025 0.000 1.043 221 N HN 0.595 nan 8.380 nan 0.000 0.516 222 E N -0.704 119.513 120.200 0.028 0.000 2.440 222 E HA -0.190 4.159 4.350 -0.001 0.000 0.246 222 E C -0.842 175.778 176.600 0.033 0.000 1.165 222 E CA 0.527 56.945 56.400 0.030 0.000 0.726 222 E CB -2.017 27.694 29.700 0.018 0.000 1.271 222 E HN 0.245 nan 8.360 nan 0.000 0.397 223 T N 1.858 116.436 114.554 0.040 0.000 2.867 223 T HA 0.059 4.408 4.350 -0.001 0.000 0.297 223 T C 0.465 175.215 174.700 0.083 0.000 0.989 223 T CA -0.098 62.022 62.100 0.034 0.000 1.159 223 T CB 0.606 69.479 68.868 0.009 0.000 0.928 223 T HN -0.008 nan 8.240 nan 0.000 0.538 224 K N 3.298 123.716 120.400 0.030 0.000 2.218 224 K HA 0.419 4.738 4.320 -0.001 0.000 0.276 224 K C -0.307 176.308 176.600 0.025 0.000 1.022 224 K CA -0.382 55.907 56.287 0.003 0.000 0.946 224 K CB 0.974 33.452 32.500 -0.037 0.000 1.000 224 K HN 0.826 nan 8.250 nan 0.000 0.468 225 Y N -0.508 119.683 120.300 -0.183 0.000 2.656 225 Y HA 0.597 5.147 4.550 -0.001 0.000 0.334 225 Y C -1.381 174.333 175.900 -0.310 0.000 1.179 225 Y CA -1.613 56.284 58.100 -0.339 0.000 1.050 225 Y CB 1.022 39.207 38.460 -0.458 0.000 1.308 225 Y HN 0.605 nan 8.280 nan 0.000 0.456 226 Y N -0.500 119.506 120.300 -0.491 0.000 2.625 226 Y HA 0.833 5.383 4.550 -0.001 0.000 0.338 226 Y C -2.187 173.366 175.900 -0.579 0.000 1.123 226 Y CA -2.521 55.237 58.100 -0.570 0.000 1.046 226 Y CB 1.309 39.578 38.460 -0.319 0.000 1.299 226 Y HN 0.584 nan 8.280 nan 0.000 0.464 227 F N 0.844 120.816 119.950 0.037 0.000 2.470 227 F HA 0.682 5.209 4.527 -0.001 0.000 0.329 227 F C -0.177 175.651 175.800 0.048 0.000 1.072 227 F CA -0.720 57.224 58.000 -0.094 0.000 0.989 227 F CB 2.021 40.840 39.000 -0.301 0.000 1.193 227 F HN 0.487 nan 8.300 nan 0.000 0.481 228 E N 1.127 121.461 120.200 0.224 0.000 2.366 228 E HA 0.303 4.652 4.350 -0.001 0.000 0.278 228 E C -1.455 175.219 176.600 0.123 0.000 0.923 228 E CA -1.202 55.300 56.400 0.170 0.000 0.761 228 E CB 3.185 32.979 29.700 0.157 0.000 1.231 228 E HN 0.402 nan 8.360 nan 0.000 0.443 229 K N 3.849 124.286 120.400 0.062 0.000 2.545 229 K HA 0.415 4.735 4.320 -0.001 0.000 0.252 229 K C -1.402 175.171 176.600 -0.044 0.000 0.948 229 K CA -0.401 55.834 56.287 -0.086 0.000 0.827 229 K CB 0.737 33.173 32.500 -0.107 0.000 1.128 229 K HN 0.445 nan 8.250 nan 0.000 0.429 230 L N 5.904 127.100 121.223 -0.046 0.000 2.331 230 L HA 0.652 4.991 4.340 -0.001 0.000 0.275 230 L C 0.059 177.056 176.870 0.212 0.000 1.022 230 L CA -1.217 53.688 54.840 0.108 0.000 0.812 230 L CB 1.360 43.491 42.059 0.120 0.000 1.257 230 L HN 0.583 nan 8.230 nan 0.000 0.435 231 I N -0.518 120.226 120.570 0.290 0.000 2.769 231 I HA 0.551 4.721 4.170 -0.001 0.000 0.298 231 I C -2.739 173.388 176.117 0.016 0.000 1.128 231 I CA -2.450 58.972 61.300 0.203 0.000 1.031 231 I CB 2.538 40.573 38.000 0.057 0.000 1.235 231 I HN 0.293 nan 8.210 nan 0.000 0.423 232 P HA 0.110 nan 4.420 nan 0.000 0.276 232 P C -0.501 176.594 177.300 -0.342 0.000 1.264 232 P CA -0.167 62.526 63.100 -0.678 0.000 0.769 232 P CB 0.798 32.036 31.700 -0.770 0.000 0.840 233 R N 4.070 124.401 120.500 -0.282 0.000 2.481 233 R HA -0.085 4.254 4.340 -0.001 0.000 0.291 233 R C 0.299 176.490 176.300 -0.180 0.000 0.934 233 R CA 0.346 56.343 56.100 -0.172 0.000 1.116 233 R CB -0.211 30.009 30.300 -0.133 0.000 0.895 233 R HN 0.399 nan 8.270 nan 0.000 0.410 234 N N 4.274 122.872 118.700 -0.169 0.000 2.678 234 N HA 0.070 4.809 4.740 -0.001 0.000 0.231 234 N C 0.318 175.746 175.510 -0.135 0.000 1.038 234 N CA -0.302 52.616 53.050 -0.220 0.000 0.932 234 N CB 0.683 38.946 38.487 -0.372 0.000 1.176 234 N HN 0.507 nan 8.380 nan 0.000 0.511 235 R N 2.149 122.591 120.500 -0.098 0.000 2.096 235 R HA -0.067 4.272 4.340 -0.001 0.000 0.235 235 R C 1.107 177.392 176.300 -0.024 0.000 1.127 235 R CA 1.070 57.136 56.100 -0.056 0.000 0.968 235 R CB -0.020 30.245 30.300 -0.058 0.000 0.861 235 R HN 0.663 nan 8.270 nan 0.000 0.440 236 E N 0.497 120.699 120.200 0.003 0.000 2.058 236 E HA -0.228 4.121 4.350 -0.001 0.000 0.194 236 E C 1.902 178.669 176.600 0.277 0.000 0.997 236 E CA 1.289 57.746 56.400 0.096 0.000 0.801 236 E CB -0.087 29.826 29.700 0.355 0.000 0.746 236 E HN 0.420 nan 8.360 nan 0.000 0.450 237 E N 0.905 121.259 120.200 0.256 0.000 2.204 237 E HA -0.194 4.155 4.350 -0.001 0.000 0.194 237 E C 1.689 178.442 176.600 0.255 0.000 0.989 237 E CA 0.791 57.393 56.400 0.337 0.000 0.824 237 E CB 0.143 29.937 29.700 0.156 0.000 0.756 237 E HN 0.244 nan 8.360 nan 0.000 0.477 238 E N 0.176 120.448 120.200 0.121 0.000 2.204 238 E HA -0.221 4.128 4.350 -0.001 0.000 0.195 238 E C 2.104 178.753 176.600 0.082 0.000 0.990 238 E CA 0.913 57.360 56.400 0.079 0.000 0.821 238 E CB 0.016 29.726 29.700 0.017 0.000 0.750 238 E HN 0.398 nan 8.360 nan 0.000 0.477 239 Q N -0.183 119.668 119.800 0.085 0.000 2.061 239 Q HA -0.238 4.101 4.340 -0.001 0.000 0.204 239 Q C 1.980 178.048 176.000 0.112 0.000 0.984 239 Q CA 1.900 57.730 55.803 0.046 0.000 0.846 239 Q CB -0.332 28.392 28.738 -0.022 0.000 0.902 239 Q HN 0.418 nan 8.270 nan 0.000 0.421 240 Y N 1.017 121.378 120.300 0.101 0.000 2.200 240 Y HA -0.178 4.371 4.550 -0.001 0.000 0.290 240 Y C 1.779 177.718 175.900 0.065 0.000 1.137 240 Y CA 1.249 59.416 58.100 0.113 0.000 1.163 240 Y CB -0.080 38.502 38.460 0.203 0.000 0.988 240 Y HN -0.006 nan 8.280 nan 0.000 0.518 241 L N -0.035 121.227 121.223 0.065 0.000 2.046 241 L HA -0.211 4.128 4.340 -0.001 0.000 0.208 241 L C 2.750 179.550 176.870 -0.115 0.000 1.077 241 L CA 1.692 56.489 54.840 -0.071 0.000 0.747 241 L CB -0.974 41.117 42.059 0.053 0.000 0.896 241 L HN 0.390 nan 8.230 nan 0.000 0.432 242 S N -0.127 115.538 115.700 -0.059 0.000 2.423 242 S HA -0.150 4.319 4.470 -0.001 0.000 0.231 242 S C 1.889 176.435 174.600 -0.089 0.000 1.014 242 S CA 0.686 58.848 58.200 -0.063 0.000 0.965 242 S CB -0.446 62.730 63.200 -0.039 0.000 0.785 242 S HN 0.277 nan 8.310 nan 0.000 0.495 243 L N 1.688 122.842 121.223 -0.116 0.000 2.109 243 L HA 0.185 4.524 4.340 -0.001 0.000 0.207 243 L C 2.430 179.203 176.870 -0.162 0.000 1.086 243 L CA 1.200 55.965 54.840 -0.125 0.000 0.760 243 L CB -0.774 41.215 42.059 -0.117 0.000 0.910 243 L HN 0.210 nan 8.230 nan 0.000 0.437 244 V N -0.024 119.736 119.914 -0.256 0.000 2.295 244 V HA -0.298 3.821 4.120 -0.001 0.000 0.246 244 V C 2.337 178.350 176.094 -0.135 0.000 1.049 244 V CA 2.027 64.182 62.300 -0.241 0.000 1.024 244 V CB -0.665 30.947 31.823 -0.352 0.000 0.648 244 V HN 0.543 nan 8.190 nan 0.000 0.447 245 D N -0.329 120.001 120.400 -0.118 0.000 2.144 245 D HA -0.208 4.431 4.640 -0.001 0.000 0.199 245 D C 2.356 178.620 176.300 -0.060 0.000 0.984 245 D CA 1.350 55.305 54.000 -0.074 0.000 0.834 245 D CB -0.137 40.626 40.800 -0.062 0.000 0.955 245 D HN 0.231 nan 8.370 nan 0.000 0.465 246 R N -0.375 120.086 120.500 -0.065 0.000 2.090 246 R HA 0.011 4.350 4.340 -0.001 0.000 0.228 246 R C 2.428 178.700 176.300 -0.046 0.000 1.110 246 R CA 0.788 56.858 56.100 -0.051 0.000 0.973 246 R CB -0.159 30.110 30.300 -0.052 0.000 0.869 246 R HN 0.291 nan 8.270 nan 0.000 0.440 247 I N 0.492 121.029 120.570 -0.055 0.000 2.179 247 I HA -0.310 3.859 4.170 -0.001 0.000 0.242 247 I C 2.164 178.259 176.117 -0.037 0.000 1.088 247 I CA 1.340 62.614 61.300 -0.044 0.000 1.357 247 I CB -0.177 37.792 38.000 -0.052 0.000 1.051 247 I HN 0.201 nan 8.210 nan 0.000 0.409 248 I N 0.220 120.767 120.570 -0.039 0.000 2.226 248 I HA -0.264 3.905 4.170 -0.001 0.000 0.245 248 I C 2.531 178.633 176.117 -0.025 0.000 1.100 248 I CA 1.177 62.460 61.300 -0.029 0.000 1.374 248 I CB -0.326 37.658 38.000 -0.026 0.000 1.057 248 I HN 0.209 nan 8.210 nan 0.000 0.413 249 R N 0.736 121.219 120.500 -0.027 0.000 2.161 249 R HA 0.024 4.363 4.340 -0.001 0.000 0.213 249 R C 1.213 177.500 176.300 -0.020 0.000 1.055 249 R CA 0.901 56.988 56.100 -0.022 0.000 0.996 249 R CB -0.320 29.966 30.300 -0.023 0.000 0.901 249 R HN 0.506 nan 8.270 nan 0.000 0.456 250 E N -0.525 119.661 120.200 -0.022 0.000 2.641 250 E HA 0.183 4.532 4.350 -0.001 0.000 0.224 250 E C 0.559 177.149 176.600 -0.017 0.000 0.951 250 E CA -0.127 56.262 56.400 -0.018 0.000 1.102 250 E CB 0.904 30.594 29.700 -0.017 0.000 1.091 250 E HN 0.121 nan 8.360 nan 0.000 0.507 251 G N 1.569 110.356 108.800 -0.021 0.000 2.614 251 G HA2 0.043 4.002 3.960 -0.001 0.000 0.239 251 G HA3 0.043 4.002 3.960 -0.001 0.000 0.239 251 G C 0.043 174.928 174.900 -0.025 0.000 1.240 251 G CA -0.371 44.716 45.100 -0.020 0.000 0.842 251 G HN -0.005 nan 8.290 nan 0.000 0.584 252 N N -0.551 118.134 118.700 -0.025 0.000 2.509 252 N HA 0.235 4.975 4.740 -0.001 0.000 0.287 252 N C -0.056 175.418 175.510 -0.060 0.000 1.121 252 N CA -0.446 52.584 53.050 -0.033 0.000 0.977 252 N CB 2.067 40.538 38.487 -0.027 0.000 1.167 252 N HN 0.147 nan 8.380 nan 0.000 0.476 253 V N 2.007 121.882 119.914 -0.064 0.000 2.583 253 V HA 0.251 4.370 4.120 -0.001 0.000 0.287 253 V C 0.410 176.423 176.094 -0.135 0.000 1.051 253 V CA 0.068 62.298 62.300 -0.116 0.000 1.010 253 V CB 0.498 32.274 31.823 -0.079 0.000 0.988 253 V HN 0.585 nan 8.190 nan 0.000 0.478 254 K N 3.059 123.298 120.400 -0.268 0.000 2.533 254 K HA 0.658 4.977 4.320 -0.001 0.000 0.272 254 K C -1.710 174.636 176.600 -0.424 0.000 0.985 254 K CA -1.109 55.053 56.287 -0.208 0.000 0.876 254 K CB 2.405 34.808 32.500 -0.161 0.000 1.452 254 K HN 0.729 nan 8.250 nan 0.000 0.439 255 H N -0.152 118.870 119.070 -0.080 0.000 2.690 255 H HA 0.282 4.838 4.556 -0.001 0.000 0.368 255 H C -0.914 174.385 175.328 -0.048 0.000 1.150 255 H CA -0.668 55.345 56.048 -0.058 0.000 1.174 255 H CB 1.445 31.191 29.762 -0.028 0.000 1.684 255 H HN 0.439 nan 8.280 nan 0.000 0.538 256 D N 0.330 120.783 120.400 0.088 0.000 2.447 256 D HA 0.166 4.805 4.640 -0.001 0.000 0.265 256 D C 1.188 177.539 176.300 0.085 0.000 1.250 256 D CA -0.436 53.606 54.000 0.070 0.000 1.046 256 D CB 0.859 41.721 40.800 0.103 0.000 1.095 256 D HN 0.487 nan 8.370 nan 0.000 0.555 257 R N -0.586 119.960 120.500 0.077 0.000 2.115 257 R HA -0.051 4.288 4.340 -0.001 0.000 0.230 257 R C 2.027 178.367 176.300 0.067 0.000 1.111 257 R CA 1.137 57.276 56.100 0.065 0.000 0.976 257 R CB -0.323 30.018 30.300 0.068 0.000 0.870 257 R HN 0.426 nan 8.270 nan 0.000 0.445 258 T N -0.962 113.641 114.554 0.082 0.000 2.684 258 T HA -0.113 4.236 4.350 -0.001 0.000 0.267 258 T C 1.514 176.258 174.700 0.074 0.000 1.036 258 T CA 1.699 63.846 62.100 0.078 0.000 1.148 258 T CB -0.246 68.674 68.868 0.086 0.000 0.863 258 T HN 0.595 nan 8.240 nan 0.000 0.436 259 G N -0.063 108.796 108.800 0.098 0.000 2.227 259 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.168 259 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.168 259 G C 0.109 175.118 174.900 0.181 0.000 1.006 259 G CA -0.185 44.981 45.100 0.111 0.000 0.684 259 G HN 0.548 nan 8.290 nan 0.000 0.489 260 V N 1.513 121.519 119.914 0.154 0.000 2.655 260 V HA 0.550 4.669 4.120 -0.001 0.000 0.300 260 V C 1.357 177.507 176.094 0.094 0.000 1.044 260 V CA 0.531 62.925 62.300 0.157 0.000 1.095 260 V CB 1.217 33.164 31.823 0.206 0.000 0.952 260 V HN 0.667 nan 8.190 nan 0.000 0.485 261 G N 3.066 111.868 108.800 0.003 0.000 2.412 261 G HA2 0.682 4.641 3.960 -0.001 0.000 0.318 261 G HA3 0.682 4.641 3.960 -0.001 0.000 0.318 261 G C -0.159 174.566 174.900 -0.291 0.000 1.146 261 G CA 0.113 45.039 45.100 -0.291 0.000 0.882 261 G HN 0.932 nan 8.290 nan 0.000 0.501 262 T N -1.691 112.615 114.554 -0.412 0.000 2.838 262 T HA 0.714 5.063 4.350 -0.001 0.000 0.292 262 T C -0.738 173.805 174.700 -0.261 0.000 1.113 262 T CA -0.895 60.962 62.100 -0.405 0.000 1.008 262 T CB 1.552 70.053 68.868 -0.611 0.000 1.259 262 T HN 0.361 nan 8.240 nan 0.000 0.520 263 L N 1.964 123.087 121.223 -0.166 0.000 2.362 263 L HA 0.783 5.122 4.340 -0.001 0.000 0.275 263 L C -0.124 176.717 176.870 -0.048 0.000 0.998 263 L CA -0.774 54.008 54.840 -0.097 0.000 0.820 263 L CB 2.111 44.132 42.059 -0.064 0.000 1.270 263 L HN 1.113 nan 8.230 nan 0.000 0.415 264 S N 2.448 118.130 115.700 -0.031 0.000 2.607 264 S HA 0.876 5.345 4.470 -0.001 0.000 0.273 264 S C -0.970 173.646 174.600 0.028 0.000 1.148 264 S CA -0.778 57.435 58.200 0.022 0.000 0.833 264 S CB 2.388 65.614 63.200 0.043 0.000 1.130 264 S HN 0.484 nan 8.310 nan 0.000 0.470 265 I N -1.591 119.011 120.570 0.053 0.000 2.828 265 I HA 0.859 5.029 4.170 -0.001 0.000 0.302 265 I C -1.371 174.833 176.117 0.144 0.000 1.101 265 I CA -1.086 60.254 61.300 0.066 0.000 1.031 265 I CB 1.578 39.586 38.000 0.014 0.000 1.231 265 I HN 0.665 nan 8.210 nan 0.000 0.427 266 F N 4.037 123.970 119.950 -0.028 0.000 2.426 266 F HA 0.796 5.322 4.527 -0.001 0.000 0.348 266 F C 0.529 176.308 175.800 -0.035 0.000 1.124 266 F CA -0.188 57.797 58.000 -0.026 0.000 1.008 266 F CB 1.021 40.011 39.000 -0.015 0.000 1.139 266 F HN 1.090 nan 8.300 nan 0.000 0.452 267 G N 4.290 112.718 108.800 -0.619 0.000 3.445 267 G HA2 0.468 4.428 3.960 -0.001 0.000 0.680 267 G HA3 0.468 4.428 3.960 -0.001 0.000 0.680 267 G C -1.089 173.640 174.900 -0.285 0.000 0.972 267 G CA -0.262 44.502 45.100 -0.560 0.000 0.798 267 G HN 1.669 nan 8.290 nan 0.000 0.461 268 A N 2.356 125.019 122.820 -0.261 0.000 2.581 268 A HA 1.006 5.325 4.320 -0.001 0.000 0.290 268 A C -0.435 177.031 177.584 -0.196 0.000 1.119 268 A CA 0.223 52.144 52.037 -0.193 0.000 0.670 268 A CB 1.938 20.835 19.000 -0.171 0.000 1.280 268 A HN 1.658 nan 8.150 nan 0.000 0.425 269 Q N -0.141 119.564 119.800 -0.158 0.000 2.352 269 Q HA 0.673 5.013 4.340 -0.001 0.000 0.270 269 Q C -1.942 173.986 176.000 -0.120 0.000 1.006 269 Q CA -0.313 55.407 55.803 -0.137 0.000 0.880 269 Q CB 1.830 30.500 28.738 -0.113 0.000 1.392 269 Q HN 0.811 nan 8.270 nan 0.000 0.401 270 M N 2.204 121.747 119.600 -0.096 0.000 2.572 270 M HA 0.631 5.110 4.480 -0.001 0.000 0.299 270 M C -1.020 175.154 176.300 -0.210 0.000 1.205 270 M CA -0.715 54.488 55.300 -0.162 0.000 0.876 270 M CB 2.761 35.307 32.600 -0.090 0.000 1.728 270 M HN 0.440 nan 8.290 nan 0.000 0.458 271 R N 0.912 121.148 120.500 -0.440 0.000 2.740 271 R HA 0.828 5.167 4.340 -0.001 0.000 0.282 271 R C -1.760 174.135 176.300 -0.674 0.000 0.969 271 R CA -0.617 55.279 56.100 -0.341 0.000 0.918 271 R CB 2.058 32.242 30.300 -0.193 0.000 1.175 271 R HN 0.463 nan 8.270 nan 0.000 0.464 272 F N -0.309 119.658 119.950 0.029 0.000 2.574 272 F HA 0.253 4.779 4.527 -0.001 0.000 0.313 272 F C 0.227 176.037 175.800 0.016 0.000 1.130 272 F CA -0.680 57.338 58.000 0.030 0.000 0.936 272 F CB 2.336 41.326 39.000 -0.016 0.000 1.219 272 F HN 0.352 nan 8.300 nan 0.000 0.445 273 S N 2.910 118.723 115.700 0.188 0.000 2.565 273 S HA 0.550 5.019 4.470 -0.001 0.000 0.274 273 S C 0.282 174.942 174.600 0.099 0.000 1.309 273 S CA -0.362 57.908 58.200 0.117 0.000 1.043 273 S CB 0.505 63.760 63.200 0.091 0.000 0.939 273 S HN 0.704 nan 8.310 nan 0.000 0.504 274 L N 3.740 125.010 121.223 0.079 0.000 2.959 274 L HA 0.320 4.659 4.340 -0.001 0.000 0.259 274 L C 0.789 177.699 176.870 0.067 0.000 1.185 274 L CA -0.231 54.643 54.840 0.056 0.000 0.998 274 L CB 0.085 42.182 42.059 0.064 0.000 1.337 274 L HN 0.512 nan 8.230 nan 0.000 0.555 275 R N 1.622 122.166 120.500 0.074 0.000 2.590 275 R HA 0.073 4.412 4.340 -0.001 0.000 0.274 275 R C 0.165 176.529 176.300 0.107 0.000 1.061 275 R CA -0.142 56.006 56.100 0.079 0.000 1.081 275 R CB 0.134 30.473 30.300 0.065 0.000 0.984 275 R HN 0.203 nan 8.270 nan 0.000 0.448 276 N N 2.424 121.189 118.700 0.108 0.000 2.725 276 N HA -0.233 4.506 4.740 -0.001 0.000 0.251 276 N C -0.766 174.871 175.510 0.212 0.000 1.031 276 N CA 1.306 54.440 53.050 0.139 0.000 0.720 276 N CB -1.286 37.289 38.487 0.148 0.000 0.930 276 N HN 0.835 nan 8.380 nan 0.000 0.543 277 N N -2.394 116.409 118.700 0.171 0.000 2.863 277 N HA -0.227 4.512 4.740 -0.001 0.000 0.245 277 N C -0.354 175.266 175.510 0.184 0.000 1.001 277 N CA 1.425 54.591 53.050 0.193 0.000 0.901 277 N CB -0.881 37.739 38.487 0.222 0.000 1.124 277 N HN 0.587 nan 8.380 nan 0.000 0.582 278 R N 0.305 120.870 120.500 0.110 0.000 2.570 278 R HA 0.332 4.671 4.340 -0.001 0.000 0.277 278 R C -0.240 175.947 176.300 -0.189 0.000 1.039 278 R CA -0.115 55.893 56.100 -0.154 0.000 1.065 278 R CB 0.417 30.667 30.300 -0.084 0.000 0.964 278 R HN 0.158 nan 8.270 nan 0.000 0.428 279 L N 5.375 126.393 121.223 -0.342 0.000 2.372 279 L HA 0.360 4.699 4.340 -0.001 0.000 0.274 279 L C -2.315 174.185 176.870 -0.618 0.000 0.988 279 L CA -2.188 52.409 54.840 -0.406 0.000 0.833 279 L CB 2.017 43.790 42.059 -0.477 0.000 1.236 279 L HN 0.474 nan 8.230 nan 0.000 0.410 280 P HA 0.068 nan 4.420 nan 0.000 0.231 280 P C -0.678 175.935 177.300 -1.146 0.000 1.756 280 P CA 0.133 62.364 63.100 -1.449 0.000 0.990 280 P CB -0.335 30.661 31.700 -1.174 0.000 1.973 281 L N 2.271 123.003 121.223 -0.819 0.000 2.278 281 L HA 0.252 4.592 4.340 -0.001 0.000 0.287 281 L C 1.191 178.035 176.870 -0.045 0.000 1.072 281 L CA -0.881 53.686 54.840 -0.455 0.000 0.819 281 L CB 0.658 42.279 42.059 -0.730 0.000 1.176 281 L HN 0.051 nan 8.230 nan 0.000 0.435 282 L N 2.920 124.165 121.223 0.037 0.000 2.506 282 L HA -0.010 4.329 4.340 -0.001 0.000 0.281 282 L C 1.542 178.647 176.870 0.392 0.000 1.228 282 L CA 0.189 55.190 54.840 0.268 0.000 0.850 282 L CB 0.500 42.570 42.059 0.018 0.000 1.110 282 L HN 0.748 nan 8.230 nan 0.000 0.496 283 T N -4.575 110.199 114.554 0.366 0.000 3.015 283 T HA -0.067 4.283 4.350 -0.001 0.000 0.250 283 T C 1.503 176.393 174.700 0.315 0.000 1.057 283 T CA 0.478 62.754 62.100 0.293 0.000 1.066 283 T CB -0.175 68.835 68.868 0.236 0.000 0.959 283 T HN 0.745 nan 8.240 nan 0.000 0.488 284 T N -0.562 114.155 114.554 0.271 0.000 3.098 284 T HA 0.154 4.504 4.350 -0.001 0.000 0.266 284 T C 0.507 175.297 174.700 0.151 0.000 1.145 284 T CA 0.291 62.498 62.100 0.178 0.000 1.092 284 T CB -0.344 68.571 68.868 0.077 0.000 0.908 284 T HN 0.525 nan 8.240 nan 0.000 0.526 285 K N 0.822 121.324 120.400 0.169 0.000 2.636 285 K HA 0.222 4.541 4.320 -0.001 0.000 0.286 285 K C -0.779 175.914 176.600 0.154 0.000 1.100 285 K CA -0.599 55.770 56.287 0.135 0.000 0.991 285 K CB 1.419 33.990 32.500 0.118 0.000 1.323 285 K HN 0.171 nan 8.250 nan 0.000 0.478 286 R N 2.891 123.470 120.500 0.131 0.000 2.500 286 R HA 0.017 4.356 4.340 -0.001 0.000 0.281 286 R C -0.799 175.657 176.300 0.261 0.000 0.953 286 R CA 0.262 56.474 56.100 0.186 0.000 1.108 286 R CB 0.392 30.758 30.300 0.109 0.000 0.901 286 R HN 0.250 nan 8.270 nan 0.000 0.410 287 V N 6.693 126.832 119.914 0.374 0.000 2.472 287 V HA 0.136 4.256 4.120 -0.001 0.000 0.290 287 V C 0.249 176.579 176.094 0.393 0.000 1.037 287 V CA -0.506 61.979 62.300 0.309 0.000 0.908 287 V CB 1.429 33.364 31.823 0.186 0.000 0.985 287 V HN 0.736 nan 8.190 nan 0.000 0.454 288 F N 4.986 125.057 119.950 0.201 0.000 2.677 288 F HA 0.012 4.539 4.527 -0.001 0.000 0.358 288 F C 1.265 177.119 175.800 0.090 0.000 1.266 288 F CA -0.151 57.956 58.000 0.179 0.000 1.262 288 F CB -0.154 38.974 39.000 0.214 0.000 1.684 288 F HN 0.839 nan 8.300 nan 0.000 0.671 289 W N 4.692 125.982 121.300 -0.016 0.000 2.318 289 W HA -0.268 4.391 4.660 -0.001 0.000 0.313 289 W C 1.962 178.252 176.519 -0.383 0.000 1.221 289 W CA 1.661 58.855 57.345 -0.252 0.000 1.266 289 W CB -0.309 29.035 29.460 -0.195 0.000 1.150 289 W HN 0.483 nan 8.180 nan 0.000 0.496 290 R N 0.304 120.527 120.500 -0.460 0.000 2.091 290 R HA -0.152 4.187 4.340 -0.001 0.000 0.238 290 R C 2.574 178.328 176.300 -0.909 0.000 1.136 290 R CA 2.291 58.042 56.100 -0.582 0.000 0.959 290 R CB -1.074 29.128 30.300 -0.164 0.000 0.856 290 R HN 0.250 nan 8.270 nan 0.000 0.437 291 G N -0.438 107.421 108.800 -1.569 0.000 2.408 291 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.217 291 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.217 291 G C 1.398 175.927 174.900 -0.617 0.000 1.150 291 G CA 0.665 45.092 45.100 -1.120 0.000 0.776 291 G HN 0.213 nan 8.290 nan 0.000 0.542 292 V N 0.211 119.575 119.914 -0.917 0.000 2.287 292 V HA -0.237 3.882 4.120 -0.001 0.000 0.248 292 V C 2.952 178.505 176.094 -0.901 0.000 1.053 292 V CA 1.878 63.466 62.300 -1.186 0.000 1.027 292 V CB -0.692 30.294 31.823 -1.394 0.000 0.646 292 V HN 0.562 nan 8.190 nan 0.000 0.447 293 C N 0.014 118.623 119.300 -1.153 0.000 2.436 293 C HA -0.127 4.333 4.460 -0.001 0.000 0.277 293 C C 2.860 177.568 174.990 -0.470 0.000 1.241 293 C CA 1.160 59.643 59.018 -0.891 0.000 1.721 293 C CB -1.022 26.096 27.740 -1.036 0.000 2.043 293 C HN 0.607 nan 8.230 nan 0.000 0.472 294 E N 0.405 120.343 120.200 -0.437 0.000 2.097 294 E HA -0.251 4.098 4.350 -0.001 0.000 0.196 294 E C 2.068 178.525 176.600 -0.238 0.000 1.000 294 E CA 1.618 57.854 56.400 -0.273 0.000 0.804 294 E CB -0.670 28.863 29.700 -0.279 0.000 0.740 294 E HN 0.796 nan 8.360 nan 0.000 0.454 295 E N 0.524 120.534 120.200 -0.317 0.000 2.072 295 E HA -0.151 4.198 4.350 -0.001 0.000 0.191 295 E C 2.189 178.544 176.600 -0.409 0.000 0.985 295 E CA 0.400 56.574 56.400 -0.376 0.000 0.801 295 E CB -0.014 29.499 29.700 -0.312 0.000 0.750 295 E HN 0.100 nan 8.360 nan 0.000 0.452 296 L N 1.307 122.387 121.223 -0.238 0.000 2.046 296 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 296 L C 2.254 179.181 176.870 0.095 0.000 1.077 296 L CA 1.503 56.360 54.840 0.029 0.000 0.747 296 L CB -0.854 41.192 42.059 -0.022 0.000 0.896 296 L HN 0.319 nan 8.230 nan 0.000 0.432 297 L N -1.805 119.433 121.223 0.024 0.000 2.046 297 L HA -0.262 4.077 4.340 -0.001 0.000 0.208 297 L C 2.461 179.400 176.870 0.115 0.000 1.077 297 L CA 1.662 56.557 54.840 0.092 0.000 0.747 297 L CB -0.787 41.320 42.059 0.079 0.000 0.896 297 L HN 0.407 nan 8.230 nan 0.000 0.432 298 W N 0.652 121.856 121.300 -0.161 0.000 2.338 298 W HA -0.267 4.392 4.660 -0.001 0.000 0.304 298 W C 2.211 178.647 176.519 -0.140 0.000 1.212 298 W CA 1.495 58.727 57.345 -0.188 0.000 1.264 298 W CB -0.281 28.985 29.460 -0.323 0.000 1.142 298 W HN -0.013 nan 8.180 nan 0.000 0.512 299 F N -0.055 119.852 119.950 -0.071 0.000 2.075 299 F HA -0.197 4.329 4.527 -0.001 0.000 0.297 299 F C 2.228 177.794 175.800 -0.391 0.000 1.113 299 F CA 1.167 58.876 58.000 -0.485 0.000 1.218 299 F CB -1.711 36.897 39.000 -0.653 0.000 0.984 299 F HN -0.222 nan 8.300 nan 0.000 0.472 300 L N 0.178 121.491 121.223 0.149 0.000 2.129 300 L HA -0.206 4.134 4.340 -0.001 0.000 0.212 300 L C 2.207 179.108 176.870 0.051 0.000 1.087 300 L CA 1.667 56.613 54.840 0.177 0.000 0.757 300 L CB -0.889 41.289 42.059 0.197 0.000 0.896 300 L HN 0.099 nan 8.230 nan 0.000 0.434 301 R N -0.929 119.562 120.500 -0.015 0.000 2.313 301 R HA 0.173 4.512 4.340 -0.001 0.000 0.199 301 R C 1.099 177.344 176.300 -0.091 0.000 0.958 301 R CA 0.596 56.676 56.100 -0.033 0.000 1.047 301 R CB -0.172 30.113 30.300 -0.024 0.000 0.955 301 R HN 0.436 nan 8.270 nan 0.000 0.481 302 G N 2.081 110.773 108.800 -0.179 0.000 2.246 302 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.273 302 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.273 302 G C -0.273 174.510 174.900 -0.195 0.000 1.055 302 G CA -0.064 44.923 45.100 -0.189 0.000 0.851 302 G HN 0.253 nan 8.290 nan 0.000 0.500 303 E N -0.426 119.461 120.200 -0.521 0.000 2.374 303 E HA 0.464 4.814 4.350 -0.001 0.000 0.260 303 E C 1.371 177.534 176.600 -0.728 0.000 1.101 303 E CA 0.595 56.611 56.400 -0.641 0.000 0.907 303 E CB 0.952 29.956 29.700 -1.160 0.000 1.014 303 E HN 0.609 nan 8.360 nan 0.000 0.427 304 T N -2.741 111.660 114.554 -0.255 0.000 3.130 304 T HA 0.028 4.377 4.350 -0.001 0.000 0.288 304 T C -0.046 174.752 174.700 0.163 0.000 0.936 304 T CA -0.325 61.699 62.100 -0.127 0.000 0.897 304 T CB -0.163 68.647 68.868 -0.097 0.000 1.178 304 T HN 0.330 nan 8.240 nan 0.000 0.543 305 Y N 2.917 123.276 120.300 0.099 0.000 2.518 305 Y HA 0.726 5.275 4.550 -0.001 0.000 0.344 305 Y C 1.323 177.312 175.900 0.149 0.000 0.982 305 Y CA -2.060 56.025 58.100 -0.026 0.000 1.234 305 Y CB 0.603 38.914 38.460 -0.250 0.000 1.114 305 Y HN 0.224 nan 8.280 nan 0.000 0.515 306 A N 4.919 127.677 122.820 -0.103 0.000 2.125 306 A HA -0.158 4.161 4.320 -0.001 0.000 0.219 306 A C 2.213 179.519 177.584 -0.462 0.000 1.156 306 A CA 1.434 53.258 52.037 -0.356 0.000 0.671 306 A CB -0.415 18.431 19.000 -0.257 0.000 0.794 306 A HN 0.788 nan 8.150 nan 0.000 0.459 307 K N 0.266 120.226 120.400 -0.733 0.000 2.283 307 K HA -0.091 4.228 4.320 -0.001 0.000 0.202 307 K C 1.574 177.937 176.600 -0.395 0.000 1.048 307 K CA 1.213 57.121 56.287 -0.632 0.000 0.948 307 K CB -0.117 31.822 32.500 -0.935 0.000 0.742 307 K HN 0.471 nan 8.250 nan 0.000 0.458 308 K N 0.345 120.566 120.400 -0.298 0.000 2.211 308 K HA -0.068 4.251 4.320 -0.001 0.000 0.203 308 K C 1.897 178.379 176.600 -0.197 0.000 1.050 308 K CA 0.869 57.096 56.287 -0.099 0.000 0.945 308 K CB 0.070 32.652 32.500 0.135 0.000 0.732 308 K HN 0.206 nan 8.250 nan 0.000 0.451 309 L N 0.563 121.559 121.223 -0.378 0.000 2.168 309 L HA -0.097 4.243 4.340 -0.001 0.000 0.203 309 L C 2.570 179.226 176.870 -0.357 0.000 1.078 309 L CA 0.924 55.505 54.840 -0.432 0.000 0.780 309 L CB -0.494 41.172 42.059 -0.656 0.000 0.939 309 L HN 0.185 nan 8.230 nan 0.000 0.451 310 S N -1.023 114.464 115.700 -0.354 0.000 2.399 310 S HA -0.180 4.289 4.470 -0.001 0.000 0.231 310 S C 1.376 175.800 174.600 -0.293 0.000 1.022 310 S CA 1.184 59.146 58.200 -0.396 0.000 0.983 310 S CB -0.455 62.616 63.200 -0.216 0.000 0.803 310 S HN 0.351 nan 8.310 nan 0.000 0.480 311 D N 1.673 121.959 120.400 -0.191 0.000 2.378 311 D HA 0.075 4.715 4.640 -0.001 0.000 0.227 311 D C 0.818 177.061 176.300 -0.096 0.000 1.012 311 D CA 0.728 54.665 54.000 -0.105 0.000 0.905 311 D CB -0.040 40.719 40.800 -0.069 0.000 0.895 311 D HN 0.568 nan 8.370 nan 0.000 0.532 312 K N -0.562 119.748 120.400 -0.150 0.000 2.618 312 K HA 0.274 4.593 4.320 -0.001 0.000 0.207 312 K C 0.742 177.275 176.600 -0.112 0.000 1.058 312 K CA -0.103 56.118 56.287 -0.110 0.000 1.086 312 K CB 1.259 33.689 32.500 -0.116 0.000 0.827 312 K HN -0.038 nan 8.250 nan 0.000 0.481 313 G N 1.088 109.791 108.800 -0.162 0.000 2.203 313 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.263 313 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.263 313 G C -0.040 174.780 174.900 -0.132 0.000 1.012 313 G CA 0.212 45.251 45.100 -0.102 0.000 0.749 313 G HN 0.182 nan 8.290 nan 0.000 0.512 314 V N 1.612 121.326 119.914 -0.334 0.000 2.284 314 V HA 0.358 4.477 4.120 -0.001 0.000 0.274 314 V C 0.632 176.524 176.094 -0.336 0.000 1.023 314 V CA -0.847 61.358 62.300 -0.159 0.000 0.808 314 V CB 1.057 32.773 31.823 -0.178 0.000 1.035 314 V HN 0.416 nan 8.190 nan 0.000 0.445 315 H N 4.913 123.995 119.070 0.019 0.000 2.519 315 H HA 0.191 4.746 4.556 -0.001 0.000 0.289 315 H C 1.889 177.179 175.328 -0.063 0.000 1.040 315 H CA 0.243 56.272 56.048 -0.031 0.000 1.165 315 H CB 0.562 30.301 29.762 -0.038 0.000 1.462 315 H HN 0.782 nan 8.280 nan 0.000 0.555 316 I N -3.137 117.421 120.570 -0.019 0.000 2.850 316 I HA -0.144 4.025 4.170 -0.001 0.000 0.266 316 I C 1.098 177.016 176.117 -0.333 0.000 1.257 316 I CA 1.242 62.429 61.300 -0.189 0.000 1.465 316 I CB -0.239 37.582 38.000 -0.298 0.000 1.091 316 I HN 0.041 nan 8.210 nan 0.000 0.467 317 W N 1.316 122.509 121.300 -0.179 0.000 3.008 317 W HA 0.187 4.847 4.660 -0.001 0.000 0.355 317 W C 1.554 178.003 176.519 -0.117 0.000 1.095 317 W CA -0.370 56.875 57.345 -0.167 0.000 1.738 317 W CB 0.250 29.559 29.460 -0.252 0.000 1.091 317 W HN 0.045 nan 8.180 nan 0.000 0.574 318 D N 0.601 121.052 120.400 0.084 0.000 2.104 318 D HA -0.204 4.435 4.640 -0.001 0.000 0.194 318 D C 1.470 177.788 176.300 0.030 0.000 0.994 318 D CA 1.666 55.707 54.000 0.068 0.000 0.830 318 D CB -0.435 40.409 40.800 0.073 0.000 0.959 318 D HN 0.097 nan 8.370 nan 0.000 0.452 319 D N 0.009 120.380 120.400 -0.049 0.000 2.218 319 D HA -0.086 4.553 4.640 -0.001 0.000 0.204 319 D C 0.911 177.077 176.300 -0.224 0.000 0.976 319 D CA 0.760 54.693 54.000 -0.112 0.000 0.853 319 D CB -0.413 40.284 40.800 -0.172 0.000 0.939 319 D HN 0.331 nan 8.370 nan 0.000 0.481 320 N N -1.021 117.548 118.700 -0.218 0.000 2.203 320 N HA 0.186 4.925 4.740 -0.001 0.000 0.207 320 N C 1.171 176.824 175.510 0.237 0.000 1.130 320 N CA -0.017 52.817 53.050 -0.361 0.000 0.861 320 N CB 1.175 39.461 38.487 -0.336 0.000 1.005 320 N HN 0.052 nan 8.380 nan 0.000 0.507 321 G N -0.117 108.835 108.800 0.254 0.000 3.528 321 G HA2 0.020 3.979 3.960 -0.001 0.000 0.266 321 G HA3 0.020 3.979 3.960 -0.001 0.000 0.266 321 G C 0.179 175.218 174.900 0.233 0.000 1.004 321 G CA -0.279 44.992 45.100 0.284 0.000 0.853 321 G HN 0.235 nan 8.290 nan 0.000 0.501 322 S N -0.196 115.640 115.700 0.226 0.000 2.593 322 S HA 0.318 4.787 4.470 -0.001 0.000 0.269 322 S C 1.459 176.179 174.600 0.200 0.000 1.334 322 S CA -0.324 57.984 58.200 0.181 0.000 1.015 322 S CB 2.201 65.491 63.200 0.150 0.000 0.912 322 S HN 0.142 nan 8.310 nan 0.000 0.541 323 R N 1.841 122.429 120.500 0.148 0.000 2.103 323 R HA -0.131 4.208 4.340 -0.001 0.000 0.242 323 R C 2.287 178.657 176.300 0.116 0.000 1.142 323 R CA 2.261 58.438 56.100 0.128 0.000 0.960 323 R CB -1.448 28.910 30.300 0.096 0.000 0.858 323 R HN 0.865 nan 8.270 nan 0.000 0.439 324 A N -0.444 122.448 122.820 0.121 0.000 1.858 324 A HA -0.144 4.175 4.320 -0.001 0.000 0.216 324 A C 2.207 179.866 177.584 0.125 0.000 1.190 324 A CA 1.493 53.594 52.037 0.107 0.000 0.617 324 A CB -0.974 18.090 19.000 0.107 0.000 0.827 324 A HN 0.489 nan 8.150 nan 0.000 0.443 325 F N 0.020 120.008 119.950 0.062 0.000 2.134 325 F HA -0.126 4.400 4.527 -0.001 0.000 0.299 325 F C 1.816 177.662 175.800 0.078 0.000 1.097 325 F CA 1.353 59.394 58.000 0.069 0.000 1.264 325 F CB -0.240 38.810 39.000 0.084 0.000 1.001 325 F HN 0.135 nan 8.300 nan 0.000 0.479 326 L N 0.519 121.808 121.223 0.109 0.000 2.046 326 L HA -0.225 4.114 4.340 -0.001 0.000 0.208 326 L C 2.085 178.907 176.870 -0.080 0.000 1.077 326 L CA 1.758 56.623 54.840 0.040 0.000 0.747 326 L CB -1.214 40.958 42.059 0.188 0.000 0.896 326 L HN 0.128 nan 8.230 nan 0.000 0.432 327 D N -1.378 118.994 120.400 -0.046 0.000 2.178 327 D HA -0.112 4.527 4.640 -0.001 0.000 0.202 327 D C 2.284 178.514 176.300 -0.117 0.000 0.974 327 D CA 1.385 55.348 54.000 -0.062 0.000 0.841 327 D CB -0.027 40.762 40.800 -0.019 0.000 0.953 327 D HN 0.428 nan 8.370 nan 0.000 0.478 328 S N 0.220 115.817 115.700 -0.172 0.000 2.447 328 S HA -0.069 4.401 4.470 -0.001 0.000 0.233 328 S C 1.709 176.151 174.600 -0.263 0.000 1.006 328 S CA 0.528 58.606 58.200 -0.203 0.000 0.957 328 S CB 0.043 63.109 63.200 -0.223 0.000 0.773 328 S HN 0.011 nan 8.310 nan 0.000 0.507 329 R N 0.808 121.102 120.500 -0.342 0.000 2.334 329 R HA 0.289 4.628 4.340 -0.001 0.000 0.216 329 R C 1.602 177.793 176.300 -0.181 0.000 0.905 329 R CA 0.442 56.374 56.100 -0.281 0.000 1.064 329 R CB -0.756 29.346 30.300 -0.330 0.000 1.046 329 R HN 0.645 nan 8.270 nan 0.000 0.508 330 G N 1.128 109.833 108.800 -0.158 0.000 2.155 330 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.257 330 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.257 330 G C 0.248 175.044 174.900 -0.173 0.000 0.983 330 G CA 0.142 45.161 45.100 -0.135 0.000 0.676 330 G HN 0.332 nan 8.290 nan 0.000 0.528 331 L N 1.791 122.892 121.223 -0.204 0.000 2.865 331 L HA 0.262 4.602 4.340 -0.001 0.000 0.233 331 L C 1.743 178.484 176.870 -0.216 0.000 1.320 331 L CA 0.187 54.818 54.840 -0.348 0.000 1.225 331 L CB 0.054 41.893 42.059 -0.366 0.000 1.542 331 L HN 0.159 nan 8.230 nan 0.000 0.432 332 T N -2.037 112.434 114.554 -0.139 0.000 3.085 332 T HA -0.044 4.305 4.350 -0.001 0.000 0.263 332 T C 1.461 176.166 174.700 0.009 0.000 1.127 332 T CA 0.686 62.762 62.100 -0.040 0.000 1.103 332 T CB 0.033 68.882 68.868 -0.032 0.000 0.921 332 T HN 0.310 nan 8.240 nan 0.000 0.510 333 E N 0.448 120.627 120.200 -0.034 0.000 2.489 333 E HA 0.091 4.440 4.350 -0.001 0.000 0.193 333 E C -0.512 176.293 176.600 0.343 0.000 1.057 333 E CA 0.129 56.592 56.400 0.105 0.000 0.866 333 E CB 0.025 29.760 29.700 0.059 0.000 0.916 333 E HN 0.497 nan 8.360 nan 0.000 0.500 334 Y N 1.407 121.804 120.300 0.162 0.000 2.313 334 Y HA 0.201 4.750 4.550 -0.001 0.000 0.332 334 Y C 1.119 177.136 175.900 0.194 0.000 1.071 334 Y CA -1.738 56.494 58.100 0.220 0.000 1.169 334 Y CB 0.441 39.012 38.460 0.185 0.000 1.192 334 Y HN -0.081 nan 8.280 nan 0.000 0.487 335 E N 2.095 122.518 120.200 0.373 0.000 2.408 335 E HA -0.016 4.333 4.350 -0.001 0.000 0.259 335 E C -0.371 176.389 176.600 0.266 0.000 1.110 335 E CA -0.362 56.188 56.400 0.250 0.000 0.929 335 E CB 0.653 30.479 29.700 0.209 0.000 0.971 335 E HN 0.738 nan 8.360 nan 0.000 0.438 336 E N 2.483 122.813 120.200 0.218 0.000 2.413 336 E HA -0.106 4.244 4.350 -0.001 0.000 0.263 336 E C 0.156 176.882 176.600 0.210 0.000 1.015 336 E CA 0.044 56.563 56.400 0.198 0.000 0.916 336 E CB 0.294 30.081 29.700 0.146 0.000 0.947 336 E HN 0.528 nan 8.360 nan 0.000 0.440 337 M N 1.156 120.854 119.600 0.164 0.000 2.961 337 M HA -0.212 4.267 4.480 -0.001 0.000 0.198 337 M C -0.491 175.890 176.300 0.135 0.000 0.610 337 M CA 0.742 56.084 55.300 0.068 0.000 0.755 337 M CB -2.065 30.435 32.600 -0.167 0.000 2.707 337 M HN 0.570 nan 8.290 nan 0.000 0.299 338 D N 1.688 122.220 120.400 0.220 0.000 2.380 338 D HA 0.464 5.104 4.640 -0.001 0.000 0.230 338 D C 1.011 177.330 176.300 0.030 0.000 1.154 338 D CA -0.123 53.962 54.000 0.141 0.000 0.859 338 D CB 0.477 41.362 40.800 0.142 0.000 1.045 338 D HN 0.429 nan 8.370 nan 0.000 0.495 339 L N 3.030 124.239 121.223 -0.024 0.000 2.395 339 L HA 0.233 4.572 4.340 -0.001 0.000 0.218 339 L C 1.549 178.316 176.870 -0.172 0.000 1.130 339 L CA 0.440 55.265 54.840 -0.025 0.000 0.826 339 L CB -0.689 41.312 42.059 -0.097 0.000 0.941 339 L HN 0.651 nan 8.230 nan 0.000 0.451 340 G N 0.301 108.750 108.800 -0.585 0.000 2.631 340 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.504 340 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.504 340 G C -2.614 171.521 174.900 -1.275 0.000 1.306 340 G CA -0.508 44.009 45.100 -0.971 0.000 0.897 340 G HN -0.038 nan 8.290 nan 0.000 0.520 341 P HA 0.302 nan 4.420 nan 0.000 0.232 341 P C 0.876 177.919 177.300 -0.428 0.000 1.738 341 P CA 0.680 63.093 63.100 -1.147 0.000 0.948 341 P CB -0.503 30.624 31.700 -0.955 0.000 1.943 342 V N -2.328 117.375 119.914 -0.352 0.000 3.295 342 V HA 0.202 4.321 4.120 -0.001 0.000 0.308 342 V C 1.336 177.358 176.094 -0.120 0.000 1.068 342 V CA -0.593 61.583 62.300 -0.207 0.000 1.062 342 V CB -0.544 31.218 31.823 -0.100 0.000 1.162 342 V HN 0.208 nan 8.190 nan 0.000 0.456 343 Y N 1.790 122.035 120.300 -0.092 0.000 1.384 343 Y HA -0.437 4.112 4.550 -0.001 0.000 0.095 343 Y C 2.509 177.959 175.900 -0.750 0.000 0.643 343 Y CA 2.779 60.676 58.100 -0.338 0.000 0.404 343 Y CB -1.888 36.313 38.460 -0.432 0.000 0.530 343 Y HN 0.835 nan 8.280 nan 0.000 0.792 344 G N -1.261 107.094 108.800 -0.741 0.000 2.503 344 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.221 344 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.221 344 G C 1.353 176.064 174.900 -0.315 0.000 1.131 344 G CA 1.179 45.806 45.100 -0.789 0.000 0.756 344 G HN 0.501 nan 8.290 nan 0.000 0.572 345 F N 0.968 120.734 119.950 -0.306 0.000 2.134 345 F HA -0.107 4.419 4.527 -0.001 0.000 0.299 345 F C 2.911 178.669 175.800 -0.069 0.000 1.097 345 F CA 1.850 59.754 58.000 -0.161 0.000 1.264 345 F CB 0.124 38.973 39.000 -0.252 0.000 1.001 345 F HN 0.088 nan 8.300 nan 0.000 0.479 346 Q N -0.562 119.274 119.800 0.060 0.000 2.123 346 Q HA -0.177 4.162 4.340 -0.001 0.000 0.199 346 Q C 2.064 178.259 176.000 0.324 0.000 0.966 346 Q CA 1.418 57.308 55.803 0.145 0.000 0.845 346 Q CB -0.941 27.938 28.738 0.234 0.000 0.907 346 Q HN 0.518 nan 8.270 nan 0.000 0.439 347 W N 1.436 122.748 121.300 0.020 0.000 2.335 347 W HA -0.126 4.533 4.660 -0.001 0.000 0.311 347 W C 2.043 178.442 176.519 -0.200 0.000 1.213 347 W CA 0.829 58.120 57.345 -0.090 0.000 1.274 347 W CB -0.486 28.826 29.460 -0.248 0.000 1.148 347 W HN 0.156 nan 8.180 nan 0.000 0.498 348 R N -1.584 118.847 120.500 -0.115 0.000 2.237 348 R HA 0.058 4.397 4.340 -0.001 0.000 0.195 348 R C 0.326 176.175 176.300 -0.751 0.000 0.956 348 R CA 0.807 56.633 56.100 -0.457 0.000 1.029 348 R CB -0.639 29.268 30.300 -0.655 0.000 0.972 348 R HN 0.308 nan 8.270 nan 0.000 0.493 349 H N -0.902 117.988 119.070 -0.299 0.000 2.790 349 H HA 0.142 4.697 4.556 -0.001 0.000 0.232 349 H C -0.609 174.545 175.328 -0.290 0.000 1.313 349 H CA -1.113 54.686 56.048 -0.415 0.000 1.011 349 H CB -0.525 28.672 29.762 -0.942 0.000 2.105 349 H HN -0.063 nan 8.280 nan 0.000 0.580 350 F N 2.174 122.071 119.950 -0.088 0.000 2.623 350 F HA 0.196 4.722 4.527 -0.001 0.000 0.386 350 F C 1.577 177.403 175.800 0.043 0.000 1.068 350 F CA 2.130 60.141 58.000 0.017 0.000 1.265 350 F CB 0.522 39.564 39.000 0.069 0.000 1.026 350 F HN 0.602 nan 8.300 nan 0.000 0.568 351 G N 3.399 111.949 108.800 -0.415 0.000 2.184 351 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.264 351 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.264 351 G C 0.276 175.203 174.900 0.045 0.000 0.975 351 G CA 0.168 45.213 45.100 -0.092 0.000 0.642 351 G HN 1.438 nan 8.290 nan 0.000 0.536 352 A N 0.300 123.167 122.820 0.079 0.000 2.425 352 A HA 0.788 5.107 4.320 -0.001 0.000 0.249 352 A C 0.997 178.719 177.584 0.231 0.000 1.084 352 A CA 0.963 53.090 52.037 0.150 0.000 0.781 352 A CB 0.447 19.501 19.000 0.091 0.000 1.019 352 A HN 2.093 nan 8.150 nan 0.000 0.490 353 A N 1.517 124.448 122.820 0.184 0.000 2.462 353 A HA 0.460 4.779 4.320 -0.001 0.000 0.243 353 A C -0.416 177.302 177.584 0.224 0.000 1.076 353 A CA 0.187 52.318 52.037 0.156 0.000 0.773 353 A CB -0.131 18.933 19.000 0.107 0.000 1.010 353 A HN 1.019 nan 8.150 nan 0.000 0.493 354 Y N 1.426 121.704 120.300 -0.037 0.000 2.409 354 Y HA 0.469 5.018 4.550 -0.001 0.000 0.339 354 Y C 1.228 177.089 175.900 -0.065 0.000 1.033 354 Y CA 0.420 58.427 58.100 -0.155 0.000 1.094 354 Y CB 2.079 40.235 38.460 -0.507 0.000 1.210 354 Y HN 0.844 nan 8.280 nan 0.000 0.456 355 T N 0.052 114.297 114.554 -0.515 0.000 3.361 355 T HA 0.342 4.692 4.350 -0.001 0.000 0.241 355 T C -0.382 173.747 174.700 -0.952 0.000 0.998 355 T CA 0.056 61.853 62.100 -0.505 0.000 1.215 355 T CB 0.103 68.785 68.868 -0.309 0.000 1.196 355 T HN 0.557 nan 8.240 nan 0.000 0.376 356 H N 0.748 119.431 119.070 -0.646 0.000 2.930 356 H HA 0.344 4.899 4.556 -0.001 0.000 0.371 356 H C 0.897 175.875 175.328 -0.582 0.000 1.169 356 H CA -0.146 55.589 56.048 -0.521 0.000 1.157 356 H CB 1.505 31.082 29.762 -0.309 0.000 1.789 356 H HN 0.491 nan 8.280 nan 0.000 0.547 357 H N 1.432 120.415 119.070 -0.146 0.000 2.426 357 H HA -0.135 4.420 4.556 -0.001 0.000 0.298 357 H C 0.119 175.428 175.328 -0.032 0.000 1.107 357 H CA 1.847 57.901 56.048 0.010 0.000 1.298 357 H CB -0.065 29.701 29.762 0.007 0.000 1.377 357 H HN 0.537 nan 8.280 nan 0.000 0.519 358 D N 0.830 120.715 120.400 -0.859 0.000 2.342 358 D HA 0.308 4.947 4.640 -0.001 0.000 0.221 358 D C 0.788 176.842 176.300 -0.410 0.000 1.101 358 D CA 0.109 53.770 54.000 -0.566 0.000 0.837 358 D CB -0.165 40.234 40.800 -0.669 0.000 0.938 358 D HN 0.543 nan 8.370 nan 0.000 0.508 359 A N 0.454 122.987 122.820 -0.480 0.000 2.346 359 A HA 0.223 4.542 4.320 -0.001 0.000 0.252 359 A C 0.174 177.297 177.584 -0.770 0.000 1.089 359 A CA -0.565 51.094 52.037 -0.631 0.000 0.797 359 A CB -0.033 18.483 19.000 -0.807 0.000 1.047 359 A HN 0.334 nan 8.150 nan 0.000 0.494 360 N N -0.123 118.187 118.700 -0.650 0.000 2.408 360 N HA 0.308 5.047 4.740 -0.001 0.000 0.257 360 N C -0.885 174.237 175.510 -0.646 0.000 1.064 360 N CA -0.187 52.556 53.050 -0.511 0.000 0.952 360 N CB 0.198 38.490 38.487 -0.324 0.000 1.093 360 N HN 0.596 nan 8.380 nan 0.000 0.490 361 Y N 0.930 121.049 120.300 -0.302 0.000 2.531 361 Y HA 0.201 4.750 4.550 -0.001 0.000 0.249 361 Y C -0.258 175.311 175.900 -0.551 0.000 1.168 361 Y CA -0.657 57.176 58.100 -0.446 0.000 1.226 361 Y CB 0.157 38.243 38.460 -0.624 0.000 1.177 361 Y HN 0.485 nan 8.280 nan 0.000 0.527 362 D N 0.908 121.060 120.400 -0.413 0.000 2.520 362 D HA 0.191 4.831 4.640 -0.001 0.000 0.243 362 D C 1.483 177.481 176.300 -0.504 0.000 1.160 362 D CA 1.707 55.245 54.000 -0.770 0.000 0.877 362 D CB 0.545 40.537 40.800 -1.347 0.000 1.150 362 D HN 0.548 nan 8.370 nan 0.000 0.494 363 G N 2.138 110.825 108.800 -0.188 0.000 2.162 363 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.260 363 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.260 363 G C 0.109 175.081 174.900 0.119 0.000 0.976 363 G CA -0.082 45.116 45.100 0.164 0.000 0.655 363 G HN 0.470 nan 8.290 nan 0.000 0.533 364 Q N 0.076 119.922 119.800 0.077 0.000 2.256 364 Q HA 0.604 4.943 4.340 -0.001 0.000 0.257 364 Q C 0.794 176.868 176.000 0.123 0.000 0.936 364 Q CA 0.481 56.333 55.803 0.081 0.000 0.903 364 Q CB 1.352 30.126 28.738 0.061 0.000 1.263 364 Q HN 1.706 nan 8.270 nan 0.000 0.440 365 G N 0.438 109.307 108.800 0.116 0.000 2.828 365 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.463 365 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.463 365 G C -0.747 174.237 174.900 0.140 0.000 1.394 365 G CA -0.597 44.580 45.100 0.128 0.000 0.862 365 G HN 0.444 nan 8.290 nan 0.000 0.540 366 V N 0.992 121.011 119.914 0.176 0.000 2.432 366 V HA 0.378 4.497 4.120 -0.001 0.000 0.271 366 V C 0.408 176.550 176.094 0.080 0.000 1.046 366 V CA 0.174 62.551 62.300 0.128 0.000 0.945 366 V CB 1.616 33.508 31.823 0.115 0.000 0.992 366 V HN 0.766 nan 8.190 nan 0.000 0.471 367 D N 4.180 124.600 120.400 0.034 0.000 2.483 367 D HA 0.147 4.786 4.640 -0.001 0.000 0.220 367 D C 1.175 177.474 176.300 -0.002 0.000 1.173 367 D CA 0.079 54.063 54.000 -0.026 0.000 0.964 367 D CB 0.933 41.720 40.800 -0.022 0.000 1.046 367 D HN 0.613 nan 8.370 nan 0.000 0.517 368 Q N 2.326 122.136 119.800 0.018 0.000 2.124 368 Q HA -0.136 4.203 4.340 -0.001 0.000 0.202 368 Q C 1.715 177.706 176.000 -0.015 0.000 0.977 368 Q CA 0.809 56.633 55.803 0.035 0.000 0.850 368 Q CB 0.355 29.162 28.738 0.114 0.000 0.901 368 Q HN 0.552 nan 8.270 nan 0.000 0.429 369 I N 1.380 121.888 120.570 -0.104 0.000 2.142 369 I HA -0.273 3.896 4.170 -0.001 0.000 0.240 369 I C 2.353 178.422 176.117 -0.080 0.000 1.078 369 I CA 1.558 62.765 61.300 -0.154 0.000 1.343 369 I CB -1.138 36.762 38.000 -0.166 0.000 1.046 369 I HN 0.232 nan 8.210 nan 0.000 0.405 370 K N 1.143 121.516 120.400 -0.045 0.000 2.063 370 K HA -0.182 4.137 4.320 -0.001 0.000 0.208 370 K C 2.163 178.753 176.600 -0.016 0.000 1.048 370 K CA 1.738 58.014 56.287 -0.018 0.000 0.928 370 K CB -0.034 32.471 32.500 0.010 0.000 0.713 370 K HN 0.264 nan 8.250 nan 0.000 0.442 371 A N 1.164 123.979 122.820 -0.007 0.000 1.930 371 A HA -0.103 4.216 4.320 -0.001 0.000 0.217 371 A C 2.065 179.645 177.584 -0.007 0.000 1.175 371 A CA 1.338 53.376 52.037 0.001 0.000 0.627 371 A CB -0.458 18.551 19.000 0.014 0.000 0.815 371 A HN 0.352 nan 8.150 nan 0.000 0.443 372 I N -0.643 119.920 120.570 -0.012 0.000 2.252 372 I HA -0.184 3.985 4.170 -0.001 0.000 0.245 372 I C 2.316 178.376 176.117 -0.094 0.000 1.102 372 I CA 0.899 62.181 61.300 -0.029 0.000 1.385 372 I CB -0.285 37.708 38.000 -0.011 0.000 1.064 372 I HN 0.137 nan 8.210 nan 0.000 0.414 373 V N 0.695 120.544 119.914 -0.109 0.000 2.392 373 V HA -0.257 3.862 4.120 -0.001 0.000 0.249 373 V C 2.511 178.562 176.094 -0.071 0.000 1.059 373 V CA 1.733 63.967 62.300 -0.112 0.000 1.051 373 V CB -0.555 31.218 31.823 -0.085 0.000 0.658 373 V HN 0.398 nan 8.190 nan 0.000 0.455 374 E N -0.176 119.997 120.200 -0.045 0.000 2.072 374 E HA -0.127 4.222 4.350 -0.001 0.000 0.190 374 E C 2.367 178.949 176.600 -0.030 0.000 0.982 374 E CA 1.631 58.013 56.400 -0.030 0.000 0.803 374 E CB -0.605 29.085 29.700 -0.016 0.000 0.755 374 E HN 0.571 nan 8.360 nan 0.000 0.453 375 T N 1.862 116.400 114.554 -0.026 0.000 2.821 375 T HA -0.108 4.241 4.350 -0.001 0.000 0.267 375 T C 1.747 176.428 174.700 -0.030 0.000 1.046 375 T CA 0.476 62.565 62.100 -0.019 0.000 1.139 375 T CB -0.149 68.717 68.868 -0.004 0.000 0.871 375 T HN -0.008 nan 8.240 nan 0.000 0.454 376 L N 1.163 122.356 121.223 -0.049 0.000 2.127 376 L HA 0.009 4.349 4.340 -0.001 0.000 0.211 376 L C 2.063 178.901 176.870 -0.053 0.000 1.089 376 L CA 1.710 56.513 54.840 -0.061 0.000 0.757 376 L CB -0.559 41.435 42.059 -0.108 0.000 0.899 376 L HN 0.216 nan 8.230 nan 0.000 0.434 377 K N -2.006 118.365 120.400 -0.049 0.000 2.356 377 K HA 0.056 4.375 4.320 -0.001 0.000 0.195 377 K C 1.578 178.158 176.600 -0.033 0.000 1.037 377 K CA 1.112 57.374 56.287 -0.041 0.000 1.014 377 K CB 0.296 32.772 32.500 -0.040 0.000 0.815 377 K HN 0.479 nan 8.250 nan 0.000 0.507 378 T N -3.023 111.513 114.554 -0.029 0.000 2.987 378 T HA 0.070 4.419 4.350 -0.001 0.000 0.248 378 T C 0.684 175.370 174.700 -0.023 0.000 0.997 378 T CA -0.109 61.977 62.100 -0.024 0.000 1.013 378 T CB 0.090 68.946 68.868 -0.019 0.000 1.077 378 T HN -0.112 nan 8.240 nan 0.000 0.483 379 N N 2.375 121.060 118.700 -0.024 0.000 2.723 379 N HA 0.365 5.104 4.740 -0.001 0.000 0.290 379 N C -2.090 173.402 175.510 -0.030 0.000 1.882 379 N CA -2.215 50.821 53.050 -0.023 0.000 0.851 379 N CB 1.379 39.857 38.487 -0.015 0.000 1.234 379 N HN 0.044 nan 8.380 nan 0.000 0.491 380 P HA -0.112 nan 4.420 nan 0.000 0.217 380 P C -0.134 177.116 177.300 -0.084 0.000 1.148 380 P CA 1.268 64.332 63.100 -0.060 0.000 0.828 380 P CB 0.404 32.062 31.700 -0.069 0.000 0.783 381 D N -0.446 119.906 120.400 -0.080 0.000 2.328 381 D HA -0.011 4.628 4.640 -0.001 0.000 0.226 381 D C 0.673 176.949 176.300 -0.040 0.000 1.066 381 D CA 0.194 54.137 54.000 -0.095 0.000 0.861 381 D CB -0.495 40.255 40.800 -0.083 0.000 0.912 381 D HN 0.313 nan 8.370 nan 0.000 0.521 382 D N 1.127 121.516 120.400 -0.018 0.000 2.488 382 D HA -0.046 4.593 4.640 -0.001 0.000 0.238 382 D C 0.452 176.771 176.300 0.031 0.000 1.138 382 D CA 0.058 54.062 54.000 0.007 0.000 0.873 382 D CB 0.864 41.671 40.800 0.011 0.000 1.183 382 D HN 0.006 nan 8.370 nan 0.000 0.458 383 R N 2.781 123.303 120.500 0.038 0.000 2.515 383 R HA 0.126 4.466 4.340 -0.001 0.000 0.294 383 R C 0.370 176.698 176.300 0.046 0.000 1.021 383 R CA -0.120 56.014 56.100 0.057 0.000 1.081 383 R CB 0.452 30.783 30.300 0.052 0.000 1.263 383 R HN 0.180 nan 8.270 nan 0.000 0.557 384 R N -0.067 120.459 120.500 0.044 0.000 2.596 384 R HA 0.263 4.602 4.340 -0.001 0.000 0.369 384 R C -0.129 176.205 176.300 0.058 0.000 1.042 384 R CA 0.016 56.137 56.100 0.036 0.000 1.120 384 R CB 0.559 30.871 30.300 0.021 0.000 1.353 384 R HN 0.040 nan 8.270 nan 0.000 0.564 385 M N 2.299 121.955 119.600 0.093 0.000 2.775 385 M HA 0.261 4.740 4.480 -0.001 0.000 0.313 385 M C -0.916 175.511 176.300 0.212 0.000 1.429 385 M CA -0.066 55.328 55.300 0.156 0.000 1.494 385 M CB -0.191 32.524 32.600 0.191 0.000 1.274 385 M HN 0.016 nan 8.290 nan 0.000 0.491 386 L N 0.432 121.748 121.223 0.156 0.000 2.518 386 L HA 0.898 5.237 4.340 -0.001 0.000 0.257 386 L C -1.171 175.778 176.870 0.132 0.000 0.980 386 L CA -1.047 53.846 54.840 0.088 0.000 0.837 386 L CB 1.470 43.498 42.059 -0.052 0.000 1.410 386 L HN 0.395 nan 8.230 nan 0.000 0.410 387 F N -1.464 118.494 119.950 0.013 0.000 2.593 387 F HA 0.970 5.496 4.527 -0.001 0.000 0.320 387 F C -0.291 175.506 175.800 -0.005 0.000 1.060 387 F CA -0.640 57.347 58.000 -0.022 0.000 0.940 387 F CB 2.082 41.036 39.000 -0.076 0.000 1.268 387 F HN 0.755 nan 8.300 nan 0.000 0.475 388 T N 0.060 114.812 114.554 0.329 0.000 2.916 388 T HA 0.647 4.996 4.350 -0.001 0.000 0.305 388 T C -0.200 174.863 174.700 0.606 0.000 1.119 388 T CA -0.004 62.299 62.100 0.338 0.000 1.008 388 T CB 1.637 70.651 68.868 0.244 0.000 1.129 388 T HN 1.109 nan 8.240 nan 0.000 0.480 389 A N 2.855 126.034 122.820 0.599 0.000 2.343 389 A HA 0.272 4.592 4.320 -0.001 0.000 0.223 389 A C 0.637 178.437 177.584 0.360 0.000 1.214 389 A CA -0.479 51.880 52.037 0.537 0.000 0.900 389 A CB 0.064 19.381 19.000 0.528 0.000 0.942 389 A HN 0.800 nan 8.150 nan 0.000 0.507 390 W N 2.470 123.913 121.300 0.239 0.000 2.510 390 W HA 0.255 4.914 4.660 -0.001 0.000 0.388 390 W C -0.725 175.927 176.519 0.221 0.000 1.092 390 W CA -0.266 57.178 57.345 0.164 0.000 1.562 390 W CB 0.136 29.674 29.460 0.130 0.000 1.603 390 W HN 0.267 nan 8.180 nan 0.000 0.396 391 N N 7.128 125.721 118.700 -0.178 0.000 2.706 391 N HA 0.225 4.965 4.740 -0.001 0.000 0.240 391 N C -1.836 173.491 175.510 -0.306 0.000 1.039 391 N CA -2.214 50.748 53.050 -0.145 0.000 0.888 391 N CB 1.438 39.660 38.487 -0.443 0.000 1.128 391 N HN 0.040 nan 8.380 nan 0.000 0.512 392 P HA -0.158 nan 4.420 nan 0.000 0.218 392 P C 1.001 178.214 177.300 -0.146 0.000 1.152 392 P CA 1.374 64.355 63.100 -0.198 0.000 0.857 392 P CB 0.413 32.110 31.700 -0.005 0.000 0.787 393 S N -1.053 114.589 115.700 -0.096 0.000 2.382 393 S HA -0.110 4.359 4.470 -0.001 0.000 0.228 393 S C 1.971 176.497 174.600 -0.123 0.000 1.027 393 S CA 1.428 59.580 58.200 -0.080 0.000 0.991 393 S CB -0.801 62.373 63.200 -0.044 0.000 0.823 393 S HN 0.188 nan 8.310 nan 0.000 0.469 394 A N 0.619 123.325 122.820 -0.189 0.000 2.095 394 A HA 0.245 4.564 4.320 -0.001 0.000 0.212 394 A C 1.812 179.270 177.584 -0.211 0.000 1.162 394 A CA 0.208 52.127 52.037 -0.197 0.000 0.753 394 A CB -0.365 18.491 19.000 -0.240 0.000 0.840 394 A HN 0.313 nan 8.150 nan 0.000 0.468 395 L N 0.414 121.476 121.223 -0.269 0.000 2.011 395 L HA -0.183 4.156 4.340 -0.001 0.000 0.225 395 L C -0.551 176.220 176.870 -0.165 0.000 1.084 395 L CA 2.661 57.336 54.840 -0.275 0.000 0.791 395 L CB -1.711 40.128 42.059 -0.366 0.000 0.898 395 L HN 0.201 nan 8.230 nan 0.000 0.440 396 P HA -0.150 nan 4.420 nan 0.000 0.220 396 P C 1.012 178.262 177.300 -0.085 0.000 1.144 396 P CA 1.349 64.394 63.100 -0.091 0.000 0.800 396 P CB -0.033 31.619 31.700 -0.080 0.000 0.772 397 R N -2.038 118.410 120.500 -0.087 0.000 2.393 397 R HA 0.289 4.628 4.340 -0.001 0.000 0.244 397 R C 0.636 176.936 176.300 0.000 0.000 0.920 397 R CA 0.016 56.087 56.100 -0.048 0.000 1.076 397 R CB -0.024 30.260 30.300 -0.028 0.000 1.119 397 R HN 0.320 nan 8.270 nan 0.000 0.524 398 M N -0.347 119.225 119.600 -0.047 0.000 2.367 398 M HA 0.272 4.751 4.480 -0.001 0.000 0.339 398 M C 1.278 177.638 176.300 0.100 0.000 1.177 398 M CA -0.298 54.986 55.300 -0.026 0.000 1.068 398 M CB 1.713 34.256 32.600 -0.095 0.000 1.602 398 M HN 0.008 nan 8.290 nan 0.000 0.457 399 A N 3.715 126.654 122.820 0.198 0.000 1.908 399 A HA 0.011 4.330 4.320 -0.001 0.000 0.218 399 A C 0.636 178.470 177.584 0.415 0.000 1.181 399 A CA 1.380 53.640 52.037 0.372 0.000 0.627 399 A CB -0.445 18.848 19.000 0.488 0.000 0.818 399 A HN 0.772 nan 8.150 nan 0.000 0.445 400 L N -4.944 116.470 121.223 0.319 0.000 2.582 400 L HA 0.564 4.903 4.340 -0.001 0.000 0.257 400 L C -3.168 173.787 176.870 0.142 0.000 0.974 400 L CA -2.307 52.694 54.840 0.269 0.000 0.851 400 L CB 1.880 44.134 42.059 0.326 0.000 1.424 400 L HN -0.156 nan 8.230 nan 0.000 0.412 401 P HA 0.323 nan 4.420 nan 0.000 0.271 401 P C -2.643 174.719 177.300 0.103 0.000 1.218 401 P CA -1.168 61.949 63.100 0.029 0.000 0.780 401 P CB -0.026 31.722 31.700 0.079 0.000 0.901 402 P HA 0.055 nan 4.420 nan 0.000 0.266 402 P C 0.536 178.009 177.300 0.288 0.000 1.195 402 P CA 0.010 63.055 63.100 -0.091 0.000 0.768 402 P CB 0.278 31.937 31.700 -0.068 0.000 0.838 403 C N 1.098 120.620 119.300 0.369 0.000 2.664 403 C HA 0.042 4.501 4.460 -0.001 0.000 0.285 403 C C 0.893 176.109 174.990 0.378 0.000 1.386 403 C CA 0.385 59.637 59.018 0.389 0.000 1.753 403 C CB -1.468 26.546 27.740 0.457 0.000 2.115 403 C HN 0.719 nan 8.230 nan 0.000 0.577 404 H N 1.244 120.597 119.070 0.472 0.000 2.846 404 H HA 0.449 5.004 4.556 -0.001 0.000 0.278 404 H C 0.338 175.956 175.328 0.483 0.000 1.117 404 H CA -0.343 55.896 56.048 0.318 0.000 1.406 404 H CB 0.090 30.011 29.762 0.265 0.000 1.445 404 H HN 0.383 nan 8.280 nan 0.000 0.469 405 L N 1.241 122.670 121.223 0.343 0.000 2.638 405 L HA 0.432 4.771 4.340 -0.001 0.000 0.232 405 L C -0.299 176.715 176.870 0.240 0.000 1.099 405 L CA -0.045 55.007 54.840 0.353 0.000 0.883 405 L CB 0.307 42.588 42.059 0.370 0.000 1.136 405 L HN 0.508 nan 8.230 nan 0.000 0.492 406 L N 0.613 121.891 121.223 0.093 0.000 2.434 406 L HA 0.954 5.293 4.340 -0.001 0.000 0.260 406 L C -1.457 175.202 176.870 -0.352 0.000 0.983 406 L CA -0.410 54.351 54.840 -0.132 0.000 0.820 406 L CB 2.140 44.140 42.059 -0.099 0.000 1.361 406 L HN 0.061 nan 8.230 nan 0.000 0.410 407 A N 3.754 126.158 122.820 -0.693 0.000 2.459 407 A HA 0.705 5.024 4.320 -0.001 0.000 0.296 407 A C -1.622 175.547 177.584 -0.693 0.000 1.039 407 A CA -0.450 51.111 52.037 -0.794 0.000 0.698 407 A CB 1.760 20.096 19.000 -1.106 0.000 1.261 407 A HN 0.656 nan 8.150 nan 0.000 0.405 408 Q N 1.595 121.051 119.800 -0.572 0.000 2.347 408 Q HA 0.720 5.059 4.340 -0.001 0.000 0.271 408 Q C -1.828 173.881 176.000 -0.484 0.000 1.064 408 Q CA -0.500 55.087 55.803 -0.359 0.000 0.800 408 Q CB 1.502 30.136 28.738 -0.174 0.000 1.304 408 Q HN 0.629 nan 8.270 nan 0.000 0.438 409 F N 1.879 121.856 119.950 0.046 0.000 2.497 409 F HA 0.594 5.121 4.527 -0.001 0.000 0.331 409 F C -0.580 175.318 175.800 0.163 0.000 1.060 409 F CA -0.621 57.436 58.000 0.095 0.000 0.989 409 F CB 1.280 40.330 39.000 0.083 0.000 1.245 409 F HN 0.520 nan 8.300 nan 0.000 0.486 410 Y N 0.110 120.526 120.300 0.193 0.000 2.552 410 Y HA 0.711 5.260 4.550 -0.001 0.000 0.337 410 Y C -2.042 173.920 175.900 0.102 0.000 1.094 410 Y CA -1.084 57.080 58.100 0.106 0.000 1.028 410 Y CB 1.571 40.061 38.460 0.050 0.000 1.321 410 Y HN 0.385 nan 8.280 nan 0.000 0.456 411 V N 3.988 123.650 119.914 -0.421 0.000 2.735 411 V HA 0.814 4.933 4.120 -0.001 0.000 0.310 411 V C -1.247 174.568 176.094 -0.466 0.000 1.061 411 V CA -0.400 61.741 62.300 -0.266 0.000 0.913 411 V CB 1.972 33.703 31.823 -0.154 0.000 1.005 411 V HN 0.872 nan 8.190 nan 0.000 0.428 412 S N 2.330 117.938 115.700 -0.154 0.000 2.584 412 S HA 0.459 4.929 4.470 -0.001 0.000 0.280 412 S C -0.481 174.118 174.600 -0.002 0.000 1.162 412 S CA -0.843 57.310 58.200 -0.077 0.000 0.951 412 S CB 1.287 64.534 63.200 0.078 0.000 1.108 412 S HN 0.808 nan 8.310 nan 0.000 0.464 413 N N 1.467 120.160 118.700 -0.011 0.000 2.740 413 N HA -0.199 4.540 4.740 -0.001 0.000 0.248 413 N C 1.057 176.570 175.510 0.005 0.000 1.062 413 N CA 1.421 54.473 53.050 0.003 0.000 0.704 413 N CB -1.548 36.952 38.487 0.021 0.000 0.968 413 N HN 2.085 nan 8.380 nan 0.000 0.547 414 G N -0.746 108.049 108.800 -0.009 0.000 2.175 414 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.265 414 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.265 414 G C -0.117 174.789 174.900 0.010 0.000 0.979 414 G CA 1.002 46.099 45.100 -0.005 0.000 0.663 414 G HN 0.632 nan 8.290 nan 0.000 0.533 415 E N -0.653 119.562 120.200 0.025 0.000 2.191 415 E HA 0.585 4.934 4.350 -0.001 0.000 0.278 415 E C -0.547 176.098 176.600 0.076 0.000 0.972 415 E CA -1.028 55.404 56.400 0.052 0.000 0.804 415 E CB 2.051 31.792 29.700 0.068 0.000 1.110 415 E HN 0.150 nan 8.360 nan 0.000 0.394 416 L N 1.943 123.223 121.223 0.095 0.000 2.282 416 L HA 0.358 4.697 4.340 -0.001 0.000 0.288 416 L C -0.769 176.221 176.870 0.200 0.000 1.033 416 L CA 0.103 55.031 54.840 0.146 0.000 0.807 416 L CB 1.454 43.589 42.059 0.127 0.000 1.209 416 L HN 0.334 nan 8.230 nan 0.000 0.423 417 S N 3.483 119.340 115.700 0.260 0.000 2.607 417 S HA 0.736 5.206 4.470 -0.001 0.000 0.303 417 S C -1.261 173.457 174.600 0.196 0.000 1.086 417 S CA -0.567 57.763 58.200 0.215 0.000 0.995 417 S CB 1.596 64.922 63.200 0.209 0.000 1.084 417 S HN 0.859 nan 8.310 nan 0.000 0.507 418 C N 3.053 122.388 119.300 0.058 0.000 2.783 418 C HA 0.823 5.282 4.460 -0.001 0.000 0.312 418 C C -1.113 173.777 174.990 -0.168 0.000 1.182 418 C CA -0.677 58.243 59.018 -0.163 0.000 1.432 418 C CB 0.929 28.580 27.740 -0.148 0.000 1.933 418 C HN 0.945 nan 8.230 nan 0.000 0.473 419 M N 6.030 125.461 119.600 -0.282 0.000 2.134 419 M HA 0.692 5.171 4.480 -0.001 0.000 0.310 419 M C -1.406 174.727 176.300 -0.278 0.000 0.966 419 M CA -0.409 54.766 55.300 -0.208 0.000 0.922 419 M CB 1.329 33.831 32.600 -0.163 0.000 1.537 419 M HN 0.746 nan 8.290 nan 0.000 0.424 420 L N 5.683 126.740 121.223 -0.277 0.000 2.322 420 L HA 0.602 4.941 4.340 -0.001 0.000 0.279 420 L C -2.108 174.647 176.870 -0.192 0.000 1.036 420 L CA -0.232 54.352 54.840 -0.427 0.000 0.807 420 L CB 1.364 42.918 42.059 -0.841 0.000 1.226 420 L HN 0.760 nan 8.230 nan 0.000 0.433 421 Y N 3.987 124.143 120.300 -0.240 0.000 2.338 421 Y HA 0.475 5.024 4.550 -0.001 0.000 0.328 421 Y C -0.693 175.181 175.900 -0.044 0.000 0.965 421 Y CA -0.334 57.699 58.100 -0.112 0.000 1.208 421 Y CB 1.048 39.431 38.460 -0.127 0.000 1.132 421 Y HN 0.746 nan 8.280 nan 0.000 0.469 422 Q N 6.581 126.167 119.800 -0.357 0.000 2.333 422 Q HA 0.293 4.632 4.340 -0.001 0.000 0.265 422 Q C 0.684 176.531 176.000 -0.255 0.000 0.989 422 Q CA -0.731 55.016 55.803 -0.093 0.000 0.842 422 Q CB 1.141 29.955 28.738 0.127 0.000 1.262 422 Q HN 0.988 nan 8.270 nan 0.000 0.451 423 R N 1.330 121.819 120.500 -0.017 0.000 2.115 423 R HA 0.096 4.435 4.340 -0.001 0.000 0.226 423 R C 0.412 176.773 176.300 0.101 0.000 1.100 423 R CA 0.626 56.757 56.100 0.051 0.000 0.980 423 R CB 0.219 30.584 30.300 0.109 0.000 0.875 423 R HN 0.279 nan 8.270 nan 0.000 0.445 424 S N -0.277 115.515 115.700 0.153 0.000 2.557 424 S HA 0.500 4.969 4.470 -0.001 0.000 0.291 424 S C -1.458 173.261 174.600 0.198 0.000 1.116 424 S CA -0.844 57.499 58.200 0.238 0.000 0.992 424 S CB 1.662 65.034 63.200 0.287 0.000 1.028 424 S HN 0.362 nan 8.310 nan 0.000 0.484 425 C N 3.869 123.217 119.300 0.080 0.000 2.478 425 C HA 0.440 4.900 4.460 -0.001 0.000 0.334 425 C C -0.453 174.265 174.990 -0.453 0.000 1.106 425 C CA -1.209 57.759 59.018 -0.083 0.000 1.363 425 C CB 0.154 27.860 27.740 -0.058 0.000 1.941 425 C HN 0.909 nan 8.230 nan 0.000 0.436 426 D N 3.660 123.932 120.400 -0.213 0.000 2.359 426 D HA 0.167 4.806 4.640 -0.001 0.000 0.250 426 D C 1.257 177.575 176.300 0.030 0.000 1.264 426 D CA -0.233 53.688 54.000 -0.131 0.000 0.911 426 D CB 0.635 41.576 40.800 0.235 0.000 1.056 426 D HN 0.339 nan 8.370 nan 0.000 0.499 427 M N 2.937 122.530 119.600 -0.011 0.000 2.108 427 M HA -0.034 4.446 4.480 -0.001 0.000 0.261 427 M C 2.045 178.511 176.300 0.277 0.000 1.066 427 M CA 1.389 56.767 55.300 0.129 0.000 1.107 427 M CB -1.471 31.119 32.600 -0.017 0.000 1.356 427 M HN 0.526 nan 8.290 nan 0.000 0.406 428 G N -0.132 108.820 108.800 0.253 0.000 2.453 428 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.215 428 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.215 428 G C 1.590 176.613 174.900 0.205 0.000 1.201 428 G CA 0.637 45.891 45.100 0.257 0.000 0.784 428 G HN 0.453 nan 8.290 nan 0.000 0.545 429 L N -0.164 121.180 121.223 0.201 0.000 2.642 429 L HA 0.324 4.663 4.340 -0.001 0.000 0.233 429 L C 2.766 179.713 176.870 0.128 0.000 1.077 429 L CA 0.514 55.434 54.840 0.133 0.000 0.879 429 L CB 0.384 42.494 42.059 0.085 0.000 1.151 429 L HN 0.312 nan 8.230 nan 0.000 0.495 430 G N -0.182 108.708 108.800 0.150 0.000 2.524 430 G HA2 -0.067 3.892 3.960 -0.001 0.000 0.210 430 G HA3 -0.067 3.892 3.960 -0.001 0.000 0.210 430 G C 1.463 176.493 174.900 0.217 0.000 1.187 430 G CA 0.540 45.729 45.100 0.148 0.000 0.825 430 G HN -0.000 nan 8.290 nan 0.000 0.558 431 V N 2.384 122.428 119.914 0.217 0.000 2.278 431 V HA -0.164 3.955 4.120 -0.001 0.000 0.251 431 V C 0.231 176.420 176.094 0.159 0.000 1.062 431 V CA 2.505 64.952 62.300 0.245 0.000 1.038 431 V CB -1.235 30.765 31.823 0.294 0.000 0.646 431 V HN 0.298 nan 8.190 nan 0.000 0.447 432 P HA -0.152 nan 4.420 nan 0.000 0.217 432 P C 1.689 179.007 177.300 0.030 0.000 1.150 432 P CA 1.375 64.440 63.100 -0.058 0.000 0.832 432 P CB -0.104 31.557 31.700 -0.065 0.000 0.787 433 F N 0.507 120.454 119.950 -0.004 0.000 2.113 433 F HA -0.148 4.378 4.527 -0.001 0.000 0.297 433 F C 1.952 177.743 175.800 -0.015 0.000 1.103 433 F CA 1.409 59.408 58.000 -0.001 0.000 1.248 433 F CB -0.470 38.546 39.000 0.027 0.000 0.999 433 F HN -0.165 nan 8.300 nan 0.000 0.475 434 N N 0.940 119.797 118.700 0.261 0.000 2.120 434 N HA -0.195 4.544 4.740 -0.001 0.000 0.188 434 N C 2.077 177.594 175.510 0.012 0.000 1.024 434 N CA 1.931 55.068 53.050 0.145 0.000 0.852 434 N CB -0.520 38.037 38.487 0.116 0.000 1.003 434 N HN 0.364 nan 8.380 nan 0.000 0.424 435 I N 1.437 121.967 120.570 -0.067 0.000 2.208 435 I HA -0.260 3.910 4.170 -0.001 0.000 0.245 435 I C 2.430 178.431 176.117 -0.193 0.000 1.097 435 I CA 1.057 62.243 61.300 -0.190 0.000 1.363 435 I CB -0.323 37.459 38.000 -0.363 0.000 1.051 435 I HN 0.070 nan 8.210 nan 0.000 0.413 436 A N 0.846 123.547 122.820 -0.198 0.000 1.877 436 A HA -0.221 4.098 4.320 -0.001 0.000 0.216 436 A C 2.519 180.042 177.584 -0.102 0.000 1.186 436 A CA 2.286 54.233 52.037 -0.151 0.000 0.620 436 A CB -0.861 18.042 19.000 -0.161 0.000 0.822 436 A HN 0.529 nan 8.150 nan 0.000 0.443 437 S N -1.305 114.279 115.700 -0.193 0.000 2.355 437 S HA -0.190 4.279 4.470 -0.001 0.000 0.222 437 S C 1.879 176.405 174.600 -0.123 0.000 1.031 437 S CA 1.472 59.560 58.200 -0.187 0.000 0.993 437 S CB -0.875 62.233 63.200 -0.153 0.000 0.859 437 S HN 0.559 nan 8.310 nan 0.000 0.453 438 Y N 2.107 122.370 120.300 -0.061 0.000 2.373 438 Y HA 0.220 4.769 4.550 -0.001 0.000 0.293 438 Y C 2.826 178.727 175.900 0.001 0.000 1.129 438 Y CA 0.440 58.529 58.100 -0.018 0.000 1.226 438 Y CB -0.542 37.857 38.460 -0.101 0.000 1.000 438 Y HN 0.393 nan 8.280 nan 0.000 0.549 439 A N -0.138 122.721 122.820 0.065 0.000 1.898 439 A HA -0.141 4.179 4.320 -0.001 0.000 0.216 439 A C 2.214 179.840 177.584 0.069 0.000 1.181 439 A CA 1.147 53.204 52.037 0.033 0.000 0.620 439 A CB -0.850 18.106 19.000 -0.074 0.000 0.819 439 A HN 0.494 nan 8.150 nan 0.000 0.442 440 L N -0.831 120.441 121.223 0.083 0.000 2.046 440 L HA -0.144 4.195 4.340 -0.001 0.000 0.208 440 L C 2.498 179.428 176.870 0.099 0.000 1.077 440 L CA 1.848 56.767 54.840 0.132 0.000 0.747 440 L CB -0.353 41.777 42.059 0.118 0.000 0.896 440 L HN 0.466 nan 8.230 nan 0.000 0.432 441 L N -0.107 121.151 121.223 0.058 0.000 1.989 441 L HA -0.237 4.103 4.340 -0.001 0.000 0.211 441 L C 2.394 179.359 176.870 0.157 0.000 1.071 441 L CA 2.513 57.404 54.840 0.086 0.000 0.749 441 L CB -0.991 41.077 42.059 0.015 0.000 0.890 441 L HN 0.204 nan 8.230 nan 0.000 0.431 442 T N 0.035 114.713 114.554 0.207 0.000 2.720 442 T HA -0.184 4.165 4.350 -0.001 0.000 0.268 442 T C 1.977 176.761 174.700 0.139 0.000 1.037 442 T CA 2.085 64.338 62.100 0.255 0.000 1.144 442 T CB -0.420 68.586 68.868 0.229 0.000 0.864 442 T HN 0.363 nan 8.240 nan 0.000 0.444 443 I N 0.521 121.157 120.570 0.109 0.000 2.226 443 I HA -0.120 4.049 4.170 -0.001 0.000 0.245 443 I C 2.293 178.414 176.117 0.006 0.000 1.100 443 I CA 1.182 62.529 61.300 0.079 0.000 1.374 443 I CB -0.394 37.687 38.000 0.134 0.000 1.057 443 I HN 0.183 nan 8.210 nan 0.000 0.413 444 L N 0.118 121.342 121.223 0.000 0.000 2.056 444 L HA -0.205 4.134 4.340 -0.001 0.000 0.207 444 L C 2.522 179.323 176.870 -0.115 0.000 1.078 444 L CA 0.963 55.732 54.840 -0.117 0.000 0.749 444 L CB -0.413 41.596 42.059 -0.083 0.000 0.901 444 L HN 0.219 nan 8.230 nan 0.000 0.433 445 I N 0.243 120.774 120.570 -0.065 0.000 2.226 445 I HA -0.241 3.928 4.170 -0.001 0.000 0.245 445 I C 2.858 178.904 176.117 -0.120 0.000 1.100 445 I CA 1.582 62.805 61.300 -0.129 0.000 1.374 445 I CB -1.643 36.216 38.000 -0.235 0.000 1.057 445 I HN 0.170 nan 8.210 nan 0.000 0.413 446 A N 1.084 123.865 122.820 -0.066 0.000 1.883 446 A HA -0.238 4.081 4.320 -0.001 0.000 0.217 446 A C 2.344 179.881 177.584 -0.078 0.000 1.186 446 A CA 1.796 53.803 52.037 -0.049 0.000 0.624 446 A CB -0.629 18.371 19.000 -0.001 0.000 0.822 446 A HN 0.378 nan 8.150 nan 0.000 0.444 447 K N -0.439 119.892 120.400 -0.115 0.000 2.211 447 K HA -0.046 4.273 4.320 -0.001 0.000 0.204 447 K C 1.889 178.416 176.600 -0.123 0.000 1.047 447 K CA 1.047 57.240 56.287 -0.156 0.000 0.935 447 K CB -0.250 32.070 32.500 -0.301 0.000 0.728 447 K HN 0.464 nan 8.250 nan 0.000 0.452 448 A N 0.860 123.613 122.820 -0.111 0.000 2.218 448 A HA -0.023 4.296 4.320 -0.001 0.000 0.209 448 A C 1.531 179.070 177.584 -0.074 0.000 1.168 448 A CA 1.055 53.044 52.037 -0.079 0.000 0.804 448 A CB -0.083 18.875 19.000 -0.070 0.000 0.834 448 A HN 0.345 nan 8.150 nan 0.000 0.482 449 T N -5.684 108.821 114.554 -0.081 0.000 3.231 449 T HA 0.445 4.794 4.350 -0.001 0.000 0.292 449 T C 1.067 175.733 174.700 -0.057 0.000 1.001 449 T CA 0.815 62.872 62.100 -0.072 0.000 0.920 449 T CB 0.003 68.816 68.868 -0.091 0.000 1.140 449 T HN 1.525 nan 8.240 nan 0.000 0.525 450 G N 1.443 110.211 108.800 -0.053 0.000 2.168 450 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.257 450 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.257 450 G C -0.110 174.770 174.900 -0.033 0.000 0.997 450 G CA 0.580 45.655 45.100 -0.042 0.000 0.708 450 G HN 0.659 nan 8.290 nan 0.000 0.520 451 L N -1.672 119.531 121.223 -0.034 0.000 2.298 451 L HA 0.820 5.159 4.340 -0.001 0.000 0.268 451 L C 0.847 177.713 176.870 -0.007 0.000 1.010 451 L CA -1.393 53.437 54.840 -0.018 0.000 0.812 451 L CB 1.324 43.375 42.059 -0.014 0.000 1.331 451 L HN 0.058 nan 8.230 nan 0.000 0.450 452 R N 0.239 120.747 120.500 0.012 0.000 2.589 452 R HA 0.405 4.745 4.340 -0.001 0.000 0.293 452 R C -2.539 173.789 176.300 0.046 0.000 0.963 452 R CA -1.634 54.482 56.100 0.026 0.000 0.905 452 R CB 1.456 31.774 30.300 0.030 0.000 1.144 452 R HN 0.227 nan 8.270 nan 0.000 0.459 453 P HA 0.015 nan 4.420 nan 0.000 0.267 453 P C -0.269 177.080 177.300 0.081 0.000 1.205 453 P CA 0.302 63.448 63.100 0.076 0.000 0.765 453 P CB 1.188 32.933 31.700 0.075 0.000 0.828 454 G N 3.084 111.943 108.800 0.098 0.000 2.534 454 G HA2 0.175 4.134 3.960 -0.001 0.000 0.224 454 G HA3 0.175 4.134 3.960 -0.001 0.000 0.224 454 G C -0.396 174.560 174.900 0.093 0.000 1.822 454 G CA 0.067 45.225 45.100 0.096 0.000 0.805 454 G HN 0.489 nan 8.290 nan 0.000 0.649 455 E N -0.920 119.341 120.200 0.102 0.000 2.393 455 E HA 0.560 4.910 4.350 -0.001 0.000 0.273 455 E C -1.676 174.984 176.600 0.099 0.000 0.918 455 E CA -0.708 55.747 56.400 0.093 0.000 0.773 455 E CB 2.927 32.663 29.700 0.060 0.000 1.275 455 E HN 0.123 nan 8.360 nan 0.000 0.451 456 L N 2.517 123.813 121.223 0.121 0.000 2.349 456 L HA 0.522 4.862 4.340 -0.001 0.000 0.278 456 L C -1.499 175.450 176.870 0.131 0.000 0.996 456 L CA -0.777 54.136 54.840 0.121 0.000 0.825 456 L CB 1.455 43.603 42.059 0.149 0.000 1.243 456 L HN 0.376 nan 8.230 nan 0.000 0.412 457 V N 4.626 124.571 119.914 0.052 0.000 2.435 457 V HA 0.375 4.495 4.120 -0.001 0.000 0.290 457 V C -0.429 175.711 176.094 0.076 0.000 1.030 457 V CA -0.584 61.739 62.300 0.039 0.000 0.881 457 V CB 1.605 33.407 31.823 -0.035 0.000 0.983 457 V HN 0.728 nan 8.190 nan 0.000 0.445 458 H N 2.472 121.541 119.070 -0.003 0.000 2.587 458 H HA 0.459 5.014 4.556 -0.001 0.000 0.325 458 H C -0.661 174.614 175.328 -0.088 0.000 1.012 458 H CA -0.501 55.526 56.048 -0.034 0.000 1.213 458 H CB 1.194 31.000 29.762 0.073 0.000 1.431 458 H HN 0.675 nan 8.280 nan 0.000 0.492 459 T N 6.806 121.428 114.554 0.113 0.000 2.767 459 T HA 0.244 4.594 4.350 -0.001 0.000 0.288 459 T C -0.190 174.334 174.700 -0.294 0.000 0.963 459 T CA -0.729 61.294 62.100 -0.129 0.000 1.019 459 T CB 0.464 69.265 68.868 -0.111 0.000 0.923 459 T HN 0.361 nan 8.240 nan 0.000 0.468 460 L N 3.137 124.132 121.223 -0.381 0.000 2.307 460 L HA 0.511 4.850 4.340 -0.001 0.000 0.284 460 L C 1.217 177.851 176.870 -0.393 0.000 1.023 460 L CA -0.342 54.266 54.840 -0.387 0.000 0.810 460 L CB 1.244 43.094 42.059 -0.349 0.000 1.231 460 L HN 0.812 nan 8.230 nan 0.000 0.423 461 G N 1.946 110.544 108.800 -0.336 0.000 2.568 461 G HA2 -0.069 3.891 3.960 -0.001 0.000 0.212 461 G HA3 -0.069 3.891 3.960 -0.001 0.000 0.212 461 G C -0.009 174.917 174.900 0.042 0.000 1.821 461 G CA 0.057 45.028 45.100 -0.215 0.000 0.904 461 G HN 0.611 nan 8.290 nan 0.000 0.566 462 D N 1.816 122.345 120.400 0.214 0.000 2.402 462 D HA 0.460 5.100 4.640 -0.001 0.000 0.235 462 D C -0.106 176.333 176.300 0.231 0.000 1.226 462 D CA -0.245 53.926 54.000 0.285 0.000 0.918 462 D CB 0.589 41.540 40.800 0.252 0.000 1.043 462 D HN 0.264 nan 8.370 nan 0.000 0.506 463 A N 5.652 128.540 122.820 0.112 0.000 2.252 463 A HA 0.483 4.802 4.320 -0.001 0.000 0.309 463 A C -0.195 177.401 177.584 0.020 0.000 1.285 463 A CA -0.520 51.505 52.037 -0.020 0.000 0.900 463 A CB 0.355 19.309 19.000 -0.076 0.000 1.157 463 A HN 0.741 nan 8.150 nan 0.000 0.536 464 H N -0.306 118.741 119.070 -0.037 0.000 2.985 464 H HA 0.761 5.316 4.556 -0.001 0.000 0.360 464 H C -1.877 173.407 175.328 -0.074 0.000 1.221 464 H CA -1.206 54.787 56.048 -0.092 0.000 1.121 464 H CB 1.311 30.964 29.762 -0.182 0.000 1.854 464 H HN 0.294 nan 8.280 nan 0.000 0.551 465 V N 1.953 121.876 119.914 0.015 0.000 2.531 465 V HA 0.162 4.281 4.120 -0.001 0.000 0.301 465 V C -0.854 175.222 176.094 -0.030 0.000 1.034 465 V CA -0.768 61.557 62.300 0.041 0.000 0.865 465 V CB 1.239 33.084 31.823 0.036 0.000 0.995 465 V HN 0.613 nan 8.190 nan 0.000 0.424 466 Y N 2.700 122.985 120.300 -0.024 0.000 2.411 466 Y HA 0.054 4.603 4.550 -0.001 0.000 0.333 466 Y C 2.038 177.847 175.900 -0.152 0.000 1.186 466 Y CA 0.959 58.945 58.100 -0.190 0.000 1.381 466 Y CB 1.309 39.454 38.460 -0.526 0.000 1.273 466 Y HN 0.870 nan 8.280 nan 0.000 0.546 467 S N 1.125 116.821 115.700 -0.007 0.000 2.380 467 S HA -0.304 4.166 4.470 -0.001 0.000 0.229 467 S C 1.360 175.990 174.600 0.050 0.000 1.043 467 S CA 1.675 59.878 58.200 0.006 0.000 1.038 467 S CB -0.549 62.646 63.200 -0.009 0.000 0.872 467 S HN 0.876 nan 8.310 nan 0.000 0.456 468 N N 1.133 119.861 118.700 0.047 0.000 2.567 468 N HA -0.088 4.651 4.740 -0.001 0.000 0.195 468 N C 0.704 176.389 175.510 0.291 0.000 1.242 468 N CA 0.714 53.828 53.050 0.108 0.000 0.884 468 N CB -0.671 37.865 38.487 0.081 0.000 1.007 468 N HN 0.760 nan 8.380 nan 0.000 0.450 469 H N -1.487 117.640 119.070 0.094 0.000 3.255 469 H HA 0.190 4.745 4.556 -0.001 0.000 0.256 469 H C 1.592 176.953 175.328 0.054 0.000 1.049 469 H CA -0.283 55.814 56.048 0.081 0.000 1.202 469 H CB 0.933 30.767 29.762 0.120 0.000 1.497 469 H HN -0.044 nan 8.280 nan 0.000 0.503 470 V N 1.969 121.980 119.914 0.162 0.000 2.231 470 V HA -0.339 3.781 4.120 -0.001 0.000 0.250 470 V C 2.203 178.335 176.094 0.063 0.000 1.058 470 V CA 2.180 64.531 62.300 0.085 0.000 1.022 470 V CB -0.395 31.456 31.823 0.048 0.000 0.640 470 V HN 0.505 nan 8.190 nan 0.000 0.445 471 E N 0.285 120.522 120.200 0.060 0.000 2.023 471 E HA -0.201 4.148 4.350 -0.001 0.000 0.196 471 E C 0.163 176.783 176.600 0.034 0.000 1.003 471 E CA 1.933 58.357 56.400 0.040 0.000 0.809 471 E CB -1.796 27.927 29.700 0.038 0.000 0.755 471 E HN 0.567 nan 8.360 nan 0.000 0.449 472 P HA -0.125 nan 4.420 nan 0.000 0.218 472 P C 1.471 178.781 177.300 0.016 0.000 1.148 472 P CA 1.140 64.251 63.100 0.018 0.000 0.822 472 P CB -0.125 31.575 31.700 -0.000 0.000 0.784 473 C N -0.324 118.997 119.300 0.035 0.000 2.453 473 C HA -0.035 4.424 4.460 -0.001 0.000 0.277 473 C C 2.748 177.743 174.990 0.007 0.000 1.262 473 C CA 0.789 59.824 59.018 0.029 0.000 1.718 473 C CB -1.942 25.823 27.740 0.043 0.000 2.031 473 C HN 0.281 nan 8.230 nan 0.000 0.480 474 N N 0.829 119.533 118.700 0.006 0.000 2.091 474 N HA -0.145 4.595 4.740 -0.001 0.000 0.193 474 N C 1.695 177.198 175.510 -0.012 0.000 1.021 474 N CA 1.341 54.387 53.050 -0.006 0.000 0.862 474 N CB -0.450 38.036 38.487 -0.001 0.000 1.018 474 N HN 0.572 nan 8.380 nan 0.000 0.429 475 E N 1.119 121.315 120.200 -0.008 0.000 2.023 475 E HA -0.219 4.130 4.350 -0.001 0.000 0.196 475 E C 1.911 178.492 176.600 -0.032 0.000 1.003 475 E CA 0.821 57.211 56.400 -0.017 0.000 0.809 475 E CB -0.465 29.230 29.700 -0.009 0.000 0.755 475 E HN 0.491 nan 8.360 nan 0.000 0.449 476 Q N 0.475 120.262 119.800 -0.022 0.000 2.173 476 Q HA -0.172 4.167 4.340 -0.001 0.000 0.208 476 Q C 2.284 178.256 176.000 -0.047 0.000 0.989 476 Q CA 1.146 56.931 55.803 -0.030 0.000 0.872 476 Q CB -0.206 28.546 28.738 0.023 0.000 0.909 476 Q HN 0.255 nan 8.270 nan 0.000 0.420 477 L N 0.263 121.468 121.223 -0.031 0.000 2.450 477 L HA -0.176 4.163 4.340 -0.001 0.000 0.224 477 L C 2.135 178.974 176.870 -0.053 0.000 1.149 477 L CA 0.898 55.717 54.840 -0.036 0.000 0.816 477 L CB -0.208 41.831 42.059 -0.033 0.000 0.932 477 L HN 0.196 nan 8.230 nan 0.000 0.449 478 K N 0.100 120.458 120.400 -0.069 0.000 2.103 478 K HA -0.017 4.302 4.320 -0.001 0.000 0.204 478 K C 0.622 177.152 176.600 -0.117 0.000 1.052 478 K CA 0.392 56.634 56.287 -0.075 0.000 0.945 478 K CB 0.022 32.483 32.500 -0.066 0.000 0.722 478 K HN 0.290 nan 8.250 nan 0.000 0.443 479 R N 1.703 122.076 120.500 -0.212 0.000 2.522 479 R HA 0.053 4.392 4.340 -0.001 0.000 0.284 479 R C -0.408 175.751 176.300 -0.235 0.000 1.032 479 R CA -0.202 55.657 56.100 -0.402 0.000 1.049 479 R CB 0.497 30.311 30.300 -0.810 0.000 0.956 479 R HN -0.114 nan 8.270 nan 0.000 0.422 480 V N 6.433 126.268 119.914 -0.131 0.000 2.408 480 V HA 0.144 4.263 4.120 -0.001 0.000 0.267 480 V C -1.505 174.654 176.094 0.108 0.000 1.047 480 V CA -1.783 60.524 62.300 0.011 0.000 0.937 480 V CB 0.871 32.731 31.823 0.062 0.000 0.999 480 V HN 0.725 nan 8.190 nan 0.000 0.472 481 P HA 0.150 nan 4.420 nan 0.000 0.266 481 P C -0.329 177.018 177.300 0.079 0.000 1.195 481 P CA -0.032 63.136 63.100 0.114 0.000 0.768 481 P CB 1.032 32.746 31.700 0.023 0.000 0.838 482 R N 1.213 121.767 120.500 0.090 0.000 2.606 482 R HA 0.625 4.964 4.340 -0.001 0.000 0.249 482 R C 0.309 176.535 176.300 -0.122 0.000 1.127 482 R CA -0.892 55.204 56.100 -0.007 0.000 1.133 482 R CB 0.508 30.794 30.300 -0.022 0.000 1.243 482 R HN 0.514 nan 8.270 nan 0.000 0.558 483 A N 1.030 123.791 122.820 -0.098 0.000 2.498 483 A HA 0.207 4.526 4.320 -0.001 0.000 0.239 483 A C -0.554 177.003 177.584 -0.045 0.000 1.068 483 A CA -0.016 51.945 52.037 -0.126 0.000 0.766 483 A CB -0.084 18.897 19.000 -0.032 0.000 1.003 483 A HN 0.383 nan 8.150 nan 0.000 0.497 484 F N 2.712 122.626 119.950 -0.059 0.000 2.440 484 F HA 0.342 4.868 4.527 -0.001 0.000 0.323 484 F C -1.059 174.592 175.800 -0.247 0.000 1.192 484 F CA -1.625 56.304 58.000 -0.119 0.000 1.252 484 F CB 0.123 39.014 39.000 -0.180 0.000 1.214 484 F HN 0.429 nan 8.300 nan 0.000 0.578 485 P HA 0.269 nan 4.420 nan 0.000 0.317 485 P C -1.590 175.419 177.300 -0.485 0.000 1.307 485 P CA -0.057 62.961 63.100 -0.136 0.000 0.749 485 P CB 1.128 32.767 31.700 -0.102 0.000 1.377 486 Y N -2.301 117.932 120.300 -0.112 0.000 2.609 486 Y HA 0.589 5.138 4.550 -0.001 0.000 0.342 486 Y C -0.212 175.556 175.900 -0.220 0.000 1.058 486 Y CA -1.018 57.009 58.100 -0.121 0.000 1.055 486 Y CB 1.331 39.768 38.460 -0.039 0.000 1.292 486 Y HN 0.079 nan 8.280 nan 0.000 0.476 487 L N 2.733 123.935 121.223 -0.035 0.000 2.385 487 L HA 0.880 5.220 4.340 -0.001 0.000 0.273 487 L C -1.191 175.656 176.870 -0.038 0.000 0.990 487 L CA -0.783 53.959 54.840 -0.163 0.000 0.821 487 L CB 1.646 43.552 42.059 -0.255 0.000 1.279 487 L HN 0.492 nan 8.230 nan 0.000 0.412 488 V N 0.891 120.751 119.914 -0.089 0.000 2.876 488 V HA 0.634 4.753 4.120 -0.001 0.000 0.312 488 V C -0.923 175.132 176.094 -0.065 0.000 1.085 488 V CA -0.778 61.537 62.300 0.025 0.000 0.945 488 V CB 1.811 33.658 31.823 0.041 0.000 1.017 488 V HN 0.585 nan 8.190 nan 0.000 0.428 489 F N 2.861 122.839 119.950 0.047 0.000 2.415 489 F HA 0.602 5.128 4.527 -0.001 0.000 0.348 489 F C 1.558 177.399 175.800 0.068 0.000 1.119 489 F CA -0.656 57.390 58.000 0.077 0.000 1.069 489 F CB 2.113 41.174 39.000 0.102 0.000 1.124 489 F HN 0.752 nan 8.300 nan 0.000 0.472 490 R N 2.376 122.987 120.500 0.185 0.000 2.275 490 R HA 0.198 4.537 4.340 -0.001 0.000 0.199 490 R C -0.086 176.298 176.300 0.141 0.000 0.989 490 R CA 0.359 56.535 56.100 0.126 0.000 1.016 490 R CB 0.174 30.519 30.300 0.074 0.000 0.918 490 R HN 0.743 nan 8.270 nan 0.000 0.473 491 R N -0.958 119.669 120.500 0.211 0.000 2.728 491 R HA 0.373 4.712 4.340 -0.001 0.000 0.274 491 R C -1.465 174.973 176.300 0.230 0.000 1.030 491 R CA -1.057 55.140 56.100 0.163 0.000 0.876 491 R CB 0.944 31.302 30.300 0.098 0.000 1.259 491 R HN -0.151 nan 8.270 nan 0.000 0.468 492 E N 0.653 120.916 120.200 0.105 0.000 2.370 492 E HA 0.574 4.924 4.350 -0.001 0.000 0.259 492 E C -0.616 175.860 176.600 -0.207 0.000 0.947 492 E CA -1.143 55.291 56.400 0.058 0.000 0.809 492 E CB 1.469 31.202 29.700 0.054 0.000 1.300 492 E HN 0.429 nan 8.360 nan 0.000 0.419 493 R N 0.483 120.711 120.500 -0.454 0.000 2.867 493 R HA 0.243 4.582 4.340 -0.001 0.000 0.268 493 R C 0.709 176.845 176.300 -0.274 0.000 1.014 493 R CA -0.780 55.038 56.100 -0.468 0.000 0.946 493 R CB 1.109 30.896 30.300 -0.855 0.000 1.208 493 R HN 0.471 nan 8.270 nan 0.000 0.477 494 E N 0.632 120.691 120.200 -0.234 0.000 2.107 494 E HA 0.048 4.397 4.350 -0.001 0.000 0.191 494 E C -0.478 175.735 176.600 -0.645 0.000 0.982 494 E CA 1.342 57.486 56.400 -0.426 0.000 0.809 494 E CB 0.141 29.566 29.700 -0.460 0.000 0.756 494 E HN 0.355 nan 8.360 nan 0.000 0.459 495 F N -0.357 119.572 119.950 -0.034 0.000 2.532 495 F HA 0.290 4.816 4.527 -0.001 0.000 0.321 495 F C 1.067 176.926 175.800 0.099 0.000 1.089 495 F CA -0.840 57.178 58.000 0.029 0.000 0.926 495 F CB 1.188 40.206 39.000 0.029 0.000 1.168 495 F HN -0.182 nan 8.300 nan 0.000 0.459 496 L N 1.105 122.532 121.223 0.341 0.000 2.013 496 L HA -0.237 4.102 4.340 -0.001 0.000 0.212 496 L C 1.682 178.774 176.870 0.370 0.000 1.073 496 L CA 2.024 57.087 54.840 0.371 0.000 0.753 496 L CB -0.088 42.093 42.059 0.203 0.000 0.890 496 L HN 0.739 nan 8.230 nan 0.000 0.432 497 E N -0.161 120.196 120.200 0.261 0.000 2.333 497 E HA -0.190 4.159 4.350 -0.001 0.000 0.198 497 E C 1.222 177.928 176.600 0.176 0.000 1.007 497 E CA 0.944 57.456 56.400 0.186 0.000 0.845 497 E CB -0.121 29.649 29.700 0.116 0.000 0.766 497 E HN 0.488 nan 8.360 nan 0.000 0.507 498 D N -1.004 119.507 120.400 0.185 0.000 2.339 498 D HA -0.009 4.630 4.640 -0.001 0.000 0.217 498 D C -0.377 175.948 176.300 0.042 0.000 1.050 498 D CA 0.051 54.108 54.000 0.095 0.000 0.856 498 D CB -0.023 40.825 40.800 0.080 0.000 0.922 498 D HN 0.197 nan 8.370 nan 0.000 0.518 499 Y N 1.695 122.068 120.300 0.121 0.000 2.480 499 Y HA 0.104 4.653 4.550 -0.001 0.000 0.338 499 Y C 1.121 177.087 175.900 0.110 0.000 1.220 499 Y CA 0.422 58.603 58.100 0.135 0.000 1.430 499 Y CB 0.645 39.211 38.460 0.176 0.000 1.311 499 Y HN -0.214 nan 8.280 nan 0.000 0.575 500 E N 1.288 121.636 120.200 0.246 0.000 2.277 500 E HA 0.084 4.434 4.350 -0.001 0.000 0.266 500 E C 0.535 177.217 176.600 0.137 0.000 0.901 500 E CA -0.780 55.709 56.400 0.147 0.000 0.782 500 E CB 1.640 31.393 29.700 0.089 0.000 1.228 500 E HN 0.638 nan 8.360 nan 0.000 0.424 501 E N 2.158 122.392 120.200 0.057 0.000 2.147 501 E HA -0.196 4.153 4.350 -0.001 0.000 0.199 501 E C 1.528 178.160 176.600 0.053 0.000 1.005 501 E CA 1.682 58.091 56.400 0.015 0.000 0.810 501 E CB -0.167 29.495 29.700 -0.064 0.000 0.736 501 E HN 0.809 nan 8.360 nan 0.000 0.460 502 G N 0.353 109.187 108.800 0.056 0.000 2.679 502 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.212 502 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.212 502 G C 1.066 176.008 174.900 0.070 0.000 1.137 502 G CA 0.506 45.641 45.100 0.058 0.000 0.787 502 G HN 0.213 nan 8.290 nan 0.000 0.534 503 D N 0.261 120.728 120.400 0.112 0.000 2.224 503 D HA 0.018 4.658 4.640 -0.001 0.000 0.205 503 D C 1.643 177.990 176.300 0.078 0.000 0.965 503 D CA 0.657 54.763 54.000 0.177 0.000 0.852 503 D CB 0.068 41.100 40.800 0.386 0.000 0.947 503 D HN 0.514 nan 8.370 nan 0.000 0.494 504 M N -1.025 118.517 119.600 -0.096 0.000 2.662 504 M HA 0.639 5.118 4.480 -0.001 0.000 0.310 504 M C -0.910 175.298 176.300 -0.153 0.000 1.204 504 M CA -0.768 54.315 55.300 -0.362 0.000 0.891 504 M CB 3.326 35.404 32.600 -0.871 0.000 1.732 504 M HN -0.346 nan 8.290 nan 0.000 0.467 505 E N 1.091 121.176 120.200 -0.193 0.000 2.308 505 E HA 0.561 4.911 4.350 -0.001 0.000 0.275 505 E C -1.933 174.526 176.600 -0.236 0.000 0.890 505 E CA -0.831 55.490 56.400 -0.133 0.000 0.754 505 E CB 2.980 32.646 29.700 -0.057 0.000 1.207 505 E HN 0.668 nan 8.360 nan 0.000 0.426 506 V N 5.467 125.185 119.914 -0.326 0.000 2.498 506 V HA 0.375 4.494 4.120 -0.001 0.000 0.279 506 V C 0.365 176.364 176.094 -0.158 0.000 1.048 506 V CA -0.274 61.779 62.300 -0.411 0.000 0.967 506 V CB 0.549 31.953 31.823 -0.698 0.000 0.988 506 V HN 0.525 nan 8.190 nan 0.000 0.473 507 I N 0.233 120.763 120.570 -0.068 0.000 2.740 507 I HA 0.647 4.816 4.170 -0.001 0.000 0.303 507 I C -0.286 175.908 176.117 0.127 0.000 1.044 507 I CA -0.864 60.458 61.300 0.037 0.000 1.064 507 I CB 2.118 40.143 38.000 0.041 0.000 1.249 507 I HN 0.560 nan 8.210 nan 0.000 0.433 508 D N 2.050 122.528 120.400 0.129 0.000 2.723 508 D HA -0.286 4.353 4.640 -0.001 0.000 0.236 508 D C -0.954 175.473 176.300 0.211 0.000 1.138 508 D CA 1.131 55.227 54.000 0.161 0.000 0.676 508 D CB -1.192 39.742 40.800 0.223 0.000 1.069 508 D HN 0.751 nan 8.370 nan 0.000 0.430 509 Y N -0.165 120.143 120.300 0.015 0.000 2.353 509 Y HA 0.433 4.982 4.550 -0.001 0.000 0.340 509 Y C -0.054 175.851 175.900 0.009 0.000 0.972 509 Y CA -0.727 57.373 58.100 -0.000 0.000 1.157 509 Y CB 1.001 39.439 38.460 -0.037 0.000 1.157 509 Y HN 0.104 nan 8.280 nan 0.000 0.495 510 A N 9.066 131.808 122.820 -0.131 0.000 3.204 510 A HA 0.385 4.704 4.320 -0.001 0.000 0.327 510 A C -2.899 174.485 177.584 -0.335 0.000 0.998 510 A CA -1.468 50.435 52.037 -0.222 0.000 0.891 510 A CB -0.220 18.725 19.000 -0.091 0.000 1.061 510 A HN 0.557 nan 8.150 nan 0.000 0.478 511 P HA 0.210 nan 4.420 nan 0.000 0.274 511 P C -0.655 176.535 177.300 -0.184 0.000 1.237 511 P CA -0.022 62.883 63.100 -0.327 0.000 0.793 511 P CB 0.664 32.097 31.700 -0.446 0.000 0.977 512 Y N 1.421 121.683 120.300 -0.064 0.000 2.457 512 Y HA 0.125 4.674 4.550 -0.001 0.000 0.341 512 Y C -0.948 174.935 175.900 -0.028 0.000 1.240 512 Y CA -1.142 56.943 58.100 -0.026 0.000 1.437 512 Y CB -0.734 37.728 38.460 0.003 0.000 1.328 512 Y HN 0.357 nan 8.280 nan 0.000 0.588 513 P HA 0.095 nan 4.420 nan 0.000 0.272 513 P C -2.605 174.742 177.300 0.078 0.000 1.240 513 P CA -1.344 61.800 63.100 0.073 0.000 0.791 513 P CB -0.018 31.718 31.700 0.060 0.000 0.978 514 P HA -0.059 nan 4.420 nan 0.000 0.261 514 P C -0.695 176.626 177.300 0.035 0.000 1.173 514 P CA 0.426 63.546 63.100 0.034 0.000 0.760 514 P CB 0.083 31.793 31.700 0.017 0.000 0.783 515 I N 0.000 120.587 120.570 0.028 0.000 2.984 515 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 515 I CA 0.000 61.311 61.300 0.018 0.000 1.566 515 I CB 0.000 38.004 38.000 0.006 0.000 1.214 515 I HN 0.000 nan 8.210 nan 0.000 0.494