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 1z3z_1_A DATA FIRST_RESID 3 DATA SEQUENCE LNDDATFWRN ARHHLVRYGG TFEPMIIERA KGSFVYDADG RAILDFTSGA DATA SEQUENCE MSAVLGHCHP EIVSVIGEYA GKLDHLFSEM LSRPVVDLAT RLANITPPGL DATA SEQUENCE DRALLLSTGA ESNEAAIRMA KLVTGKYEIV GFAQSWHGMT GAAASATYSA DATA SEQUENCE GRKGVGPAAV GSFAIPAPFT YRPRFERNGA YDYLAELDYA FDLIDRQSSG DATA SEQUENCE NLAAFIAEPI LSSGGIIELP DGYMAALKRK CEARGMLLIL DEAQTGVGRT DATA SEQUENCE GTMFACQRDG VTPDILTLSK TLGAGLPLAA IVTSAAIEER AHELGYLFYT DATA SEQUENCE THVSDPLPAA VGLRVLDVVQ RDGLVARANV MGDRLRRGLL DLMERFDCIG DATA SEQUENCE DVRGRGLLLG VEIVKDRRTK EPADGLGAKI TRECMNLGLS MNIVQLPGMG DATA SEQUENCE GVFRIAPPLT VSEDEIDLGL SLLGQAIERA L 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.880 176.870 0.017 0.000 1.165 3 L CA 0.000 54.846 54.840 0.010 0.000 0.813 3 L CB 0.000 42.070 42.059 0.019 0.000 0.961 4 N N 0.338 119.061 118.700 0.039 0.000 2.512 4 N HA -0.041 4.700 4.740 0.001 0.000 0.183 4 N C -0.192 175.456 175.510 0.230 0.000 1.073 4 N CA 0.855 53.959 53.050 0.090 0.000 0.911 4 N CB 0.142 38.689 38.487 0.100 0.000 0.964 4 N HN 0.547 nan 8.380 nan 0.000 0.447 5 D N 1.218 121.706 120.400 0.148 0.000 2.358 5 D HA -0.078 4.562 4.640 0.001 0.000 0.241 5 D C 0.086 176.542 176.300 0.259 0.000 1.094 5 D CA 0.294 54.400 54.000 0.178 0.000 0.907 5 D CB -0.383 40.462 40.800 0.075 0.000 0.893 5 D HN 0.136 nan 8.370 nan 0.000 0.528 6 D N 0.761 121.301 120.400 0.234 0.000 2.554 6 D HA -0.055 4.586 4.640 0.001 0.000 0.251 6 D C 1.156 177.638 176.300 0.303 0.000 1.213 6 D CA 0.005 54.109 54.000 0.174 0.000 0.900 6 D CB 0.862 41.687 40.800 0.042 0.000 1.135 6 D HN 0.061 nan 8.370 nan 0.000 0.522 7 A N 3.600 126.547 122.820 0.211 0.000 1.930 7 A HA -0.130 4.191 4.320 0.001 0.000 0.217 7 A C 2.172 179.838 177.584 0.136 0.000 1.175 7 A CA 1.497 53.653 52.037 0.198 0.000 0.627 7 A CB -0.324 18.746 19.000 0.118 0.000 0.815 7 A HN 0.630 nan 8.150 nan 0.000 0.443 8 T N -0.780 113.828 114.554 0.090 0.000 2.788 8 T HA -0.101 4.249 4.350 0.001 0.000 0.268 8 T C 1.556 176.250 174.700 -0.010 0.000 1.044 8 T CA 1.461 63.578 62.100 0.029 0.000 1.139 8 T CB -0.378 68.508 68.868 0.030 0.000 0.867 8 T HN 0.483 nan 8.240 nan 0.000 0.454 9 F N 0.541 120.397 119.950 -0.157 0.000 2.031 9 F HA -0.107 4.421 4.527 0.001 0.000 0.295 9 F C 1.820 177.367 175.800 -0.421 0.000 1.133 9 F CA 1.356 59.148 58.000 -0.345 0.000 1.188 9 F CB -0.504 38.187 39.000 -0.515 0.000 0.974 9 F HN 0.185 nan 8.300 nan 0.000 0.473 10 W N 0.601 122.008 121.300 0.177 0.000 2.421 10 W HA -0.085 4.576 4.660 0.001 0.000 0.270 10 W C 2.691 179.127 176.519 -0.138 0.000 1.233 10 W CA 1.118 58.481 57.345 0.029 0.000 1.226 10 W CB -0.426 29.109 29.460 0.126 0.000 1.121 10 W HN -0.009 nan 8.180 nan 0.000 0.579 11 R N 0.626 121.093 120.500 -0.055 0.000 2.057 11 R HA -0.130 4.211 4.340 0.001 0.000 0.229 11 R C 1.909 177.863 176.300 -0.577 0.000 1.136 11 R CA 1.474 57.384 56.100 -0.318 0.000 0.952 11 R CB -0.511 29.599 30.300 -0.317 0.000 0.848 11 R HN 0.116 nan 8.270 nan 0.000 0.430 12 N N 0.832 119.279 118.700 -0.422 0.000 2.120 12 N HA -0.151 4.589 4.740 0.001 0.000 0.188 12 N C 1.639 176.953 175.510 -0.327 0.000 1.024 12 N CA 1.530 54.380 53.050 -0.333 0.000 0.852 12 N CB -0.368 38.006 38.487 -0.188 0.000 1.003 12 N HN 0.274 nan 8.380 nan 0.000 0.424 13 A N 1.208 123.770 122.820 -0.431 0.000 2.024 13 A HA -0.103 4.217 4.320 0.001 0.000 0.220 13 A C 2.270 179.789 177.584 -0.109 0.000 1.164 13 A CA 1.168 52.978 52.037 -0.377 0.000 0.643 13 A CB -0.277 18.357 19.000 -0.610 0.000 0.806 13 A HN 0.248 nan 8.150 nan 0.000 0.451 14 R N -1.827 118.629 120.500 -0.073 0.000 2.112 14 R HA 0.055 4.396 4.340 0.001 0.000 0.216 14 R C 2.018 178.352 176.300 0.058 0.000 1.080 14 R CA 1.139 57.269 56.100 0.050 0.000 0.996 14 R CB -0.319 30.036 30.300 0.092 0.000 0.902 14 R HN 0.764 nan 8.270 nan 0.000 0.449 15 H N -1.018 117.892 119.070 -0.267 0.000 2.395 15 H HA 0.006 4.563 4.556 0.001 0.000 0.299 15 H C 0.740 175.794 175.328 -0.458 0.000 1.070 15 H CA 0.636 56.406 56.048 -0.463 0.000 1.356 15 H CB 0.330 29.580 29.762 -0.854 0.000 1.401 15 H HN 0.278 nan 8.280 nan 0.000 0.524 16 H N -0.522 118.613 119.070 0.108 0.000 2.512 16 H HA 0.200 4.756 4.556 0.001 0.000 0.276 16 H C -0.609 174.739 175.328 0.033 0.000 1.126 16 H CA -0.137 55.940 56.048 0.050 0.000 1.060 16 H CB 0.575 30.344 29.762 0.012 0.000 1.646 16 H HN 0.071 nan 8.280 nan 0.000 0.571 17 L N 1.738 123.031 121.223 0.117 0.000 2.305 17 L HA 0.271 4.612 4.340 0.001 0.000 0.284 17 L C -0.050 176.939 176.870 0.199 0.000 1.013 17 L CA -0.831 54.093 54.840 0.141 0.000 0.819 17 L CB 1.959 44.074 42.059 0.094 0.000 1.227 17 L HN -0.127 nan 8.230 nan 0.000 0.417 18 V N 5.312 125.359 119.914 0.221 0.000 2.555 18 V HA 0.311 4.432 4.120 0.001 0.000 0.286 18 V C 0.602 176.875 176.094 0.297 0.000 1.044 18 V CA -0.504 61.927 62.300 0.218 0.000 1.026 18 V CB 0.987 32.930 31.823 0.200 0.000 0.981 18 V HN 0.608 nan 8.190 nan 0.000 0.480 19 R N 4.152 124.748 120.500 0.160 0.000 2.234 19 R HA 0.294 4.635 4.340 0.001 0.000 0.324 19 R C -0.448 175.849 176.300 -0.005 0.000 1.054 19 R CA -0.228 55.858 56.100 -0.024 0.000 0.912 19 R CB 0.510 30.751 30.300 -0.098 0.000 1.030 19 R HN 0.844 nan 8.270 nan 0.000 0.455 20 Y N -0.095 120.215 120.300 0.016 0.000 2.734 20 Y HA 0.541 5.092 4.550 0.001 0.000 0.278 20 Y C 0.342 176.242 175.900 -0.001 0.000 1.108 20 Y CA -0.638 57.481 58.100 0.032 0.000 1.211 20 Y CB 0.544 39.054 38.460 0.084 0.000 1.182 20 Y HN 0.740 nan 8.280 nan 0.000 0.547 21 G N -0.663 108.007 108.800 -0.216 0.000 2.576 21 G HA2 0.419 4.380 3.960 0.001 0.000 0.686 21 G HA3 0.419 4.380 3.960 0.001 0.000 0.686 21 G C 0.011 174.726 174.900 -0.309 0.000 1.242 21 G CA -0.443 44.566 45.100 -0.152 0.000 0.819 21 G HN 1.542 nan 8.290 nan 0.000 0.655 22 G N -0.776 107.892 108.800 -0.220 0.000 2.601 22 G HA2 0.398 4.358 3.960 0.001 0.000 0.252 22 G HA3 0.398 4.358 3.960 0.001 0.000 0.252 22 G C 0.414 175.110 174.900 -0.340 0.000 1.294 22 G CA 1.089 46.048 45.100 -0.234 0.000 0.912 22 G HN 2.725 nan 8.290 nan 0.000 0.574 23 T N -0.815 113.550 114.554 -0.315 0.000 2.993 23 T HA 0.565 4.915 4.350 0.001 0.000 0.312 23 T C -0.605 173.971 174.700 -0.207 0.000 1.115 23 T CA -0.468 61.435 62.100 -0.329 0.000 1.027 23 T CB 0.507 69.275 68.868 -0.166 0.000 1.116 23 T HN 0.843 nan 8.240 nan 0.000 0.464 24 F N 3.181 123.132 119.950 0.001 0.000 2.529 24 F HA 0.325 4.853 4.527 0.001 0.000 0.365 24 F C 1.363 177.220 175.800 0.094 0.000 1.102 24 F CA -0.678 57.375 58.000 0.088 0.000 1.271 24 F CB 0.420 39.540 39.000 0.199 0.000 1.120 24 F HN 0.418 nan 8.300 nan 0.000 0.579 25 E N 4.625 125.034 120.200 0.350 0.000 2.415 25 E HA 0.023 4.374 4.350 0.001 0.000 0.263 25 E C -1.796 174.935 176.600 0.217 0.000 0.995 25 E CA -1.543 54.986 56.400 0.215 0.000 0.915 25 E CB 0.118 29.935 29.700 0.194 0.000 0.951 25 E HN 0.288 nan 8.360 nan 0.000 0.449 26 P HA -0.025 nan 4.420 nan 0.000 0.261 26 P C -0.247 177.061 177.300 0.013 0.000 1.650 26 P CA 0.504 63.513 63.100 -0.153 0.000 0.846 26 P CB -0.279 31.318 31.700 -0.172 0.000 1.758 27 M N -1.555 118.215 119.600 0.283 0.000 2.779 27 M HA 0.567 5.048 4.480 0.001 0.000 0.277 27 M C -1.414 175.071 176.300 0.310 0.000 1.284 27 M CA -1.440 54.026 55.300 0.276 0.000 0.801 27 M CB 1.975 34.653 32.600 0.129 0.000 1.712 27 M HN -0.355 nan 8.290 nan 0.000 0.453 28 I N 2.840 123.429 120.570 0.031 0.000 2.495 28 I HA 0.304 4.475 4.170 0.001 0.000 0.277 28 I C -0.685 175.362 176.117 -0.118 0.000 1.045 28 I CA -0.792 60.361 61.300 -0.244 0.000 1.135 28 I CB 1.498 39.112 38.000 -0.643 0.000 1.241 28 I HN 0.536 nan 8.210 nan 0.000 0.469 29 I N 5.217 125.761 120.570 -0.044 0.000 2.578 29 I HA -0.021 4.150 4.170 0.001 0.000 0.286 29 I C 1.314 177.418 176.117 -0.021 0.000 1.126 29 I CA 0.648 61.940 61.300 -0.013 0.000 1.380 29 I CB 0.147 38.146 38.000 -0.002 0.000 1.408 29 I HN 0.646 nan 8.210 nan 0.000 0.532 30 E N 6.304 126.506 120.200 0.003 0.000 2.122 30 E HA 0.004 4.355 4.350 0.001 0.000 0.190 30 E C 0.514 177.136 176.600 0.036 0.000 0.977 30 E CA 0.924 57.327 56.400 0.005 0.000 0.820 30 E CB 0.439 30.144 29.700 0.007 0.000 0.770 30 E HN 0.719 nan 8.360 nan 0.000 0.462 31 R N -2.253 118.303 120.500 0.095 0.000 2.747 31 R HA 0.798 5.138 4.340 0.001 0.000 0.272 31 R C -1.617 174.790 176.300 0.179 0.000 1.032 31 R CA -0.810 55.360 56.100 0.116 0.000 0.896 31 R CB 1.029 31.390 30.300 0.102 0.000 1.253 31 R HN -0.051 nan 8.270 nan 0.000 0.461 32 A N 0.933 123.835 122.820 0.136 0.000 2.520 32 A HA 0.766 5.086 4.320 0.001 0.000 0.298 32 A C -1.610 176.100 177.584 0.211 0.000 1.051 32 A CA -0.694 51.376 52.037 0.055 0.000 0.690 32 A CB 2.233 21.017 19.000 -0.360 0.000 1.281 32 A HN 0.650 nan 8.150 nan 0.000 0.402 33 K N 0.813 121.403 120.400 0.316 0.000 2.543 33 K HA 0.625 4.946 4.320 0.001 0.000 0.255 33 K C 0.624 177.426 176.600 0.337 0.000 0.934 33 K CA 0.846 57.324 56.287 0.317 0.000 0.810 33 K CB 1.488 34.165 32.500 0.294 0.000 1.315 33 K HN 2.356 nan 8.250 nan 0.000 0.433 34 G N 1.733 110.687 108.800 0.257 0.000 2.672 34 G HA2 -0.325 3.636 3.960 0.001 0.000 0.324 34 G HA3 -0.325 3.636 3.960 0.001 0.000 0.324 34 G C 0.279 175.299 174.900 0.199 0.000 1.286 34 G CA 0.605 45.831 45.100 0.209 0.000 1.004 34 G HN 0.691 nan 8.290 nan 0.000 0.548 35 S N 0.711 116.497 115.700 0.143 0.000 2.679 35 S HA 0.535 5.005 4.470 0.001 0.000 0.233 35 S C -0.299 174.092 174.600 -0.348 0.000 0.951 35 S CA 0.307 58.453 58.200 -0.089 0.000 0.973 35 S CB -0.199 62.872 63.200 -0.216 0.000 0.778 35 S HN 0.386 nan 8.310 nan 0.000 0.477 36 F N 0.990 120.982 119.950 0.069 0.000 2.565 36 F HA 0.561 5.089 4.527 0.001 0.000 0.313 36 F C -0.152 175.400 175.800 -0.414 0.000 1.091 36 F CA -1.289 56.591 58.000 -0.201 0.000 0.915 36 F CB 1.683 40.476 39.000 -0.345 0.000 1.208 36 F HN -0.102 nan 8.300 nan 0.000 0.453 37 V N -0.124 119.575 119.914 -0.359 0.000 2.815 37 V HA 0.689 4.810 4.120 0.001 0.000 0.314 37 V C -1.699 174.038 176.094 -0.595 0.000 1.064 37 V CA -1.061 60.998 62.300 -0.402 0.000 0.952 37 V CB 1.827 33.505 31.823 -0.241 0.000 1.020 37 V HN 0.635 nan 8.190 nan 0.000 0.439 38 Y N 1.548 121.856 120.300 0.013 0.000 2.391 38 Y HA 0.616 5.166 4.550 0.001 0.000 0.341 38 Y C 0.107 176.000 175.900 -0.011 0.000 0.965 38 Y CA -0.909 57.197 58.100 0.010 0.000 1.067 38 Y CB 1.532 39.988 38.460 -0.007 0.000 1.199 38 Y HN 0.966 nan 8.280 nan 0.000 0.450 39 D N 0.948 121.418 120.400 0.116 0.000 2.425 39 D HA 0.324 4.965 4.640 0.001 0.000 0.274 39 D C 1.246 177.565 176.300 0.033 0.000 1.242 39 D CA -0.158 53.873 54.000 0.052 0.000 1.060 39 D CB 0.270 41.094 40.800 0.040 0.000 1.112 39 D HN 0.515 nan 8.370 nan 0.000 0.561 40 A N -0.744 122.068 122.820 -0.013 0.000 2.019 40 A HA -0.142 4.178 4.320 0.001 0.000 0.219 40 A C 1.414 178.992 177.584 -0.010 0.000 1.164 40 A CA 1.465 53.481 52.037 -0.034 0.000 0.644 40 A CB -0.606 18.353 19.000 -0.069 0.000 0.805 40 A HN 0.523 nan 8.150 nan 0.000 0.449 41 D N -1.552 118.853 120.400 0.009 0.000 2.349 41 D HA 0.229 4.870 4.640 0.001 0.000 0.215 41 D C 1.399 177.709 176.300 0.016 0.000 1.016 41 D CA 1.095 55.101 54.000 0.009 0.000 0.870 41 D CB 0.172 40.980 40.800 0.013 0.000 0.917 41 D HN 0.594 nan 8.370 nan 0.000 0.524 42 G N 1.770 110.595 108.800 0.043 0.000 2.157 42 G HA2 -0.317 3.644 3.960 0.001 0.000 0.239 42 G HA3 -0.317 3.644 3.960 0.001 0.000 0.239 42 G C 0.452 175.435 174.900 0.137 0.000 0.982 42 G CA -0.033 45.100 45.100 0.054 0.000 0.650 42 G HN 0.384 nan 8.290 nan 0.000 0.527 43 R N 0.860 121.433 120.500 0.122 0.000 2.522 43 R HA 0.524 4.865 4.340 0.001 0.000 0.284 43 R C 0.777 177.191 176.300 0.189 0.000 1.032 43 R CA 0.514 56.684 56.100 0.117 0.000 1.049 43 R CB 0.207 30.544 30.300 0.063 0.000 0.956 43 R HN 0.689 nan 8.270 nan 0.000 0.422 44 A N 6.316 129.236 122.820 0.167 0.000 2.320 44 A HA 0.370 4.691 4.320 0.001 0.000 0.287 44 A C -0.226 177.413 177.584 0.092 0.000 1.181 44 A CA -0.513 51.547 52.037 0.039 0.000 0.831 44 A CB 0.282 19.235 19.000 -0.078 0.000 1.102 44 A HN 0.768 nan 8.150 nan 0.000 0.513 45 I N 3.130 123.744 120.570 0.073 0.000 2.389 45 I HA 0.187 4.357 4.170 0.001 0.000 0.288 45 I C -0.451 175.693 176.117 0.045 0.000 0.999 45 I CA -0.795 60.551 61.300 0.077 0.000 1.129 45 I CB 1.698 39.688 38.000 -0.017 0.000 1.288 45 I HN 0.584 nan 8.210 nan 0.000 0.444 46 L N 6.464 127.625 121.223 -0.104 0.000 2.433 46 L HA 0.121 4.462 4.340 0.001 0.000 0.275 46 L C 0.384 177.083 176.870 -0.286 0.000 1.128 46 L CA 0.528 55.029 54.840 -0.566 0.000 0.875 46 L CB 0.032 41.779 42.059 -0.519 0.000 1.171 46 L HN 0.473 nan 8.230 nan 0.000 0.463 47 D N 4.676 124.939 120.400 -0.228 0.000 2.498 47 D HA -0.046 4.595 4.640 0.001 0.000 0.229 47 D C 0.448 176.826 176.300 0.130 0.000 1.188 47 D CA 0.034 54.037 54.000 0.005 0.000 1.028 47 D CB 0.096 40.962 40.800 0.110 0.000 1.087 47 D HN 0.445 nan 8.370 nan 0.000 0.510 48 F N 1.187 121.078 119.950 -0.098 0.000 2.769 48 F HA 0.009 4.536 4.527 0.001 0.000 0.304 48 F C 1.942 177.715 175.800 -0.044 0.000 1.158 48 F CA 0.397 58.348 58.000 -0.081 0.000 1.398 48 F CB -0.098 38.856 39.000 -0.077 0.000 1.094 48 F HN 0.255 nan 8.300 nan 0.000 0.553 49 T N -5.913 108.696 114.554 0.092 0.000 3.144 49 T HA 0.131 4.482 4.350 0.001 0.000 0.290 49 T C 0.774 175.474 174.700 0.001 0.000 0.966 49 T CA 0.351 62.469 62.100 0.030 0.000 0.907 49 T CB -0.249 68.653 68.868 0.056 0.000 1.152 49 T HN -0.103 nan 8.240 nan 0.000 0.532 50 S N 1.223 116.915 115.700 -0.013 0.000 3.614 50 S HA -0.002 4.469 4.470 0.001 0.000 0.360 50 S C 1.561 176.137 174.600 -0.040 0.000 1.023 50 S CA 1.125 59.280 58.200 -0.075 0.000 1.114 50 S CB -1.903 61.242 63.200 -0.093 0.000 0.907 50 S HN 1.897 nan 8.310 nan 0.000 0.470 51 G N 0.990 109.828 108.800 0.062 0.000 2.559 51 G HA2 -0.037 3.923 3.960 0.001 0.000 0.282 51 G HA3 -0.037 3.923 3.960 0.001 0.000 0.282 51 G C 0.247 175.193 174.900 0.077 0.000 1.177 51 G CA 0.261 45.436 45.100 0.126 0.000 0.960 51 G HN 1.957 nan 8.290 nan 0.000 0.540 52 A N -0.823 122.033 122.820 0.059 0.000 3.264 52 A HA 0.640 4.960 4.320 0.001 0.000 0.299 52 A C 1.186 178.779 177.584 0.016 0.000 1.272 52 A CA 0.865 52.926 52.037 0.041 0.000 1.030 52 A CB -0.653 18.379 19.000 0.054 0.000 1.102 52 A HN 1.583 nan 8.150 nan 0.000 0.615 53 M N -0.766 118.835 119.600 0.002 0.000 2.360 53 M HA -0.182 4.299 4.480 0.001 0.000 0.202 53 M C 0.627 176.920 176.300 -0.011 0.000 0.390 53 M CA 1.142 56.433 55.300 -0.015 0.000 0.470 53 M CB -3.076 29.514 32.600 -0.017 0.000 1.637 53 M HN 0.460 nan 8.290 nan 0.000 0.885 54 S N -0.489 115.201 115.700 -0.016 0.000 3.148 54 S HA 0.391 4.862 4.470 0.001 0.000 0.246 54 S C 1.003 175.576 174.600 -0.046 0.000 1.041 54 S CA 0.358 58.549 58.200 -0.015 0.000 0.813 54 S CB 0.437 63.641 63.200 0.007 0.000 0.813 54 S HN 0.737 nan 8.310 nan 0.000 0.546 55 A N 3.126 125.895 122.820 -0.085 0.000 2.901 55 A HA 0.227 4.548 4.320 0.001 0.000 0.289 55 A C 1.366 178.877 177.584 -0.122 0.000 1.779 55 A CA 0.068 52.022 52.037 -0.138 0.000 1.352 55 A CB -0.838 17.966 19.000 -0.327 0.000 1.008 55 A HN 0.533 nan 8.150 nan 0.000 0.596 56 V N 1.065 120.929 119.914 -0.083 0.000 2.719 56 V HA -0.036 4.084 4.120 0.001 0.000 0.252 56 V C 1.389 177.445 176.094 -0.064 0.000 1.065 56 V CA 1.428 63.682 62.300 -0.075 0.000 1.086 56 V CB -0.681 31.101 31.823 -0.069 0.000 0.700 56 V HN 0.650 nan 8.190 nan 0.000 0.467 57 L N 1.497 122.683 121.223 -0.061 0.000 2.628 57 L HA 0.618 4.958 4.340 0.001 0.000 0.229 57 L C 1.190 178.107 176.870 0.078 0.000 1.137 57 L CA 0.412 55.239 54.840 -0.021 0.000 0.909 57 L CB -0.780 41.181 42.059 -0.163 0.000 1.137 57 L HN 0.645 nan 8.230 nan 0.000 0.470 58 G N -0.168 108.619 108.800 -0.021 0.000 2.796 58 G HA2 -0.195 3.765 3.960 0.001 0.000 0.571 58 G HA3 -0.195 3.765 3.960 0.001 0.000 0.571 58 G C -0.508 174.354 174.900 -0.062 0.000 1.370 58 G CA -0.860 44.209 45.100 -0.051 0.000 0.856 58 G HN 0.204 nan 8.290 nan 0.000 0.538 59 H N -0.810 118.313 119.070 0.089 0.000 2.629 59 H HA 0.265 4.821 4.556 0.001 0.000 0.357 59 H C 1.544 176.940 175.328 0.113 0.000 1.121 59 H CA 0.703 56.807 56.048 0.092 0.000 1.406 59 H CB 0.479 30.294 29.762 0.088 0.000 1.456 59 H HN 1.221 nan 8.280 nan 0.000 0.579 60 C N 3.353 122.799 119.300 0.242 0.000 2.656 60 C HA -0.201 4.260 4.460 0.001 0.000 0.226 60 C C 1.044 176.134 174.990 0.166 0.000 1.302 60 C CA 0.332 59.455 59.018 0.176 0.000 2.531 60 C CB -2.805 25.023 27.740 0.148 0.000 1.576 60 C HN 0.704 nan 8.230 nan 0.000 0.379 61 H N 2.829 121.942 119.070 0.073 0.000 2.620 61 H HA 0.196 4.752 4.556 0.001 0.000 0.313 61 H C -1.246 174.112 175.328 0.050 0.000 1.075 61 H CA -1.591 54.491 56.048 0.057 0.000 1.397 61 H CB 1.285 31.069 29.762 0.037 0.000 1.446 61 H HN 0.134 nan 8.280 nan 0.000 0.493 62 P HA -0.249 nan 4.420 nan 0.000 0.219 62 P C 1.316 178.737 177.300 0.200 0.000 1.158 62 P CA 1.493 64.629 63.100 0.060 0.000 0.895 62 P CB 0.463 32.122 31.700 -0.068 0.000 0.792 63 E N -0.670 119.776 120.200 0.409 0.000 2.038 63 E HA -0.167 4.184 4.350 0.001 0.000 0.195 63 E C 2.167 178.859 176.600 0.152 0.000 1.000 63 E CA 1.225 57.768 56.400 0.239 0.000 0.803 63 E CB -0.916 28.880 29.700 0.159 0.000 0.750 63 E HN 0.350 nan 8.360 nan 0.000 0.448 64 I N 0.740 121.404 120.570 0.157 0.000 2.315 64 I HA -0.204 3.966 4.170 0.001 0.000 0.248 64 I C 2.392 178.571 176.117 0.103 0.000 1.117 64 I CA 0.537 61.892 61.300 0.092 0.000 1.404 64 I CB -0.201 37.841 38.000 0.069 0.000 1.071 64 I HN -0.087 nan 8.210 nan 0.000 0.419 65 V N 0.784 120.771 119.914 0.121 0.000 2.490 65 V HA -0.245 3.876 4.120 0.001 0.000 0.250 65 V C 2.577 178.721 176.094 0.083 0.000 1.061 65 V CA 2.180 64.537 62.300 0.094 0.000 1.064 65 V CB -0.775 31.100 31.823 0.086 0.000 0.670 65 V HN 0.612 nan 8.190 nan 0.000 0.461 66 S N -0.686 115.068 115.700 0.089 0.000 2.371 66 S HA -0.091 4.380 4.470 0.001 0.000 0.221 66 S C 2.014 176.671 174.600 0.095 0.000 1.036 66 S CA 1.239 59.486 58.200 0.078 0.000 0.965 66 S CB -0.158 63.085 63.200 0.072 0.000 0.845 66 S HN 0.270 nan 8.310 nan 0.000 0.475 67 V N 1.971 121.955 119.914 0.117 0.000 2.332 67 V HA -0.073 4.048 4.120 0.001 0.000 0.248 67 V C 2.231 178.452 176.094 0.212 0.000 1.055 67 V CA 1.985 64.392 62.300 0.178 0.000 1.038 67 V CB -0.564 31.345 31.823 0.143 0.000 0.651 67 V HN 0.661 nan 8.190 nan 0.000 0.450 68 I N 0.014 120.667 120.570 0.137 0.000 2.163 68 I HA -0.147 4.023 4.170 0.001 0.000 0.243 68 I C 2.300 178.490 176.117 0.122 0.000 1.085 68 I CA 1.969 63.343 61.300 0.123 0.000 1.347 68 I CB -0.694 37.355 38.000 0.082 0.000 1.044 68 I HN 0.410 nan 8.210 nan 0.000 0.408 69 G N -0.119 108.735 108.800 0.091 0.000 2.404 69 G HA2 -0.313 3.647 3.960 0.001 0.000 0.215 69 G HA3 -0.313 3.647 3.960 0.001 0.000 0.215 69 G C 1.470 176.399 174.900 0.049 0.000 1.174 69 G CA 0.846 45.983 45.100 0.063 0.000 0.780 69 G HN 0.561 nan 8.290 nan 0.000 0.537 70 E N -0.563 119.667 120.200 0.050 0.000 2.086 70 E HA -0.247 4.103 4.350 0.001 0.000 0.200 70 E C 2.071 178.576 176.600 -0.158 0.000 1.012 70 E CA 1.383 57.759 56.400 -0.040 0.000 0.812 70 E CB -0.305 29.390 29.700 -0.008 0.000 0.743 70 E HN 0.593 nan 8.360 nan 0.000 0.453 71 Y N -0.460 119.854 120.300 0.025 0.000 2.420 71 Y HA 0.151 4.703 4.550 0.002 0.000 0.292 71 Y C 2.226 178.144 175.900 0.030 0.000 1.119 71 Y CA 0.633 58.749 58.100 0.026 0.000 1.229 71 Y CB -0.092 38.384 38.460 0.026 0.000 1.026 71 Y HN 0.186 nan 8.280 nan 0.000 0.554 72 A N -0.097 122.808 122.820 0.141 0.000 1.940 72 A HA -0.162 4.158 4.320 0.001 0.000 0.219 72 A C 2.393 180.012 177.584 0.057 0.000 1.176 72 A CA 1.976 54.069 52.037 0.094 0.000 0.631 72 A CB -1.236 17.806 19.000 0.070 0.000 0.814 72 A HN 0.446 nan 8.150 nan 0.000 0.446 73 G N -1.984 106.830 108.800 0.022 0.000 2.986 73 G HA2 0.138 4.099 3.960 0.001 0.000 0.213 73 G HA3 0.138 4.099 3.960 0.001 0.000 0.213 73 G C 1.371 176.257 174.900 -0.023 0.000 1.156 73 G CA 0.708 45.808 45.100 0.001 0.000 0.763 73 G HN 0.466 nan 8.290 nan 0.000 0.547 74 K N -0.763 119.602 120.400 -0.057 0.000 2.274 74 K HA 0.406 4.726 4.320 0.001 0.000 0.219 74 K C -0.182 176.413 176.600 -0.008 0.000 1.058 74 K CA -0.100 56.131 56.287 -0.093 0.000 0.920 74 K CB 0.188 32.523 32.500 -0.275 0.000 1.124 74 K HN 0.094 nan 8.250 nan 0.000 0.464 75 L N 2.515 123.778 121.223 0.067 0.000 2.372 75 L HA 0.166 4.507 4.340 0.001 0.000 0.273 75 L C -0.452 176.547 176.870 0.215 0.000 0.989 75 L CA -0.515 54.428 54.840 0.171 0.000 0.841 75 L CB 1.567 43.788 42.059 0.269 0.000 1.225 75 L HN 0.426 nan 8.230 nan 0.000 0.414 76 D N 1.235 121.730 120.400 0.158 0.000 2.844 76 D HA 0.016 4.656 4.640 0.001 0.000 0.271 76 D C 0.287 176.702 176.300 0.192 0.000 1.386 76 D CA 0.475 54.576 54.000 0.167 0.000 1.053 76 D CB 0.162 41.050 40.800 0.147 0.000 1.107 76 D HN 0.418 nan 8.370 nan 0.000 0.395 77 H N -0.700 118.426 119.070 0.094 0.000 2.569 77 H HA 0.727 5.283 4.556 0.001 0.000 0.357 77 H C -1.054 174.332 175.328 0.097 0.000 1.153 77 H CA -0.741 55.368 56.048 0.102 0.000 1.193 77 H CB 1.270 31.101 29.762 0.116 0.000 1.602 77 H HN 0.094 nan 8.280 nan 0.000 0.523 78 L N 2.979 123.879 121.223 -0.538 0.000 2.409 78 L HA 0.277 4.617 4.340 0.001 0.000 0.255 78 L C -0.738 175.943 176.870 -0.316 0.000 1.027 78 L CA -1.326 53.354 54.840 -0.267 0.000 0.834 78 L CB 1.721 43.725 42.059 -0.091 0.000 1.426 78 L HN 0.534 nan 8.230 nan 0.000 0.411 79 F N 0.518 120.362 119.950 -0.178 0.000 2.572 79 F HA 0.007 4.534 4.527 0.001 0.000 0.370 79 F C 1.315 177.054 175.800 -0.102 0.000 1.103 79 F CA 0.210 58.159 58.000 -0.084 0.000 1.286 79 F CB 0.980 39.979 39.000 -0.002 0.000 1.105 79 F HN 0.405 nan 8.300 nan 0.000 0.583 80 S N 3.814 119.082 115.700 -0.720 0.000 2.711 80 S HA -0.065 4.405 4.470 0.001 0.000 0.237 80 S C 0.925 175.161 174.600 -0.607 0.000 0.971 80 S CA 0.646 58.425 58.200 -0.702 0.000 0.964 80 S CB -0.501 62.078 63.200 -1.034 0.000 0.775 80 S HN 0.615 nan 8.310 nan 0.000 0.540 81 E N 0.057 119.880 120.200 -0.627 0.000 2.630 81 E HA 0.242 4.592 4.350 0.001 0.000 0.218 81 E C -0.237 176.383 176.600 0.033 0.000 0.977 81 E CA 0.104 56.389 56.400 -0.192 0.000 1.038 81 E CB 0.416 30.094 29.700 -0.037 0.000 1.051 81 E HN 0.519 nan 8.360 nan 0.000 0.487 82 M N 1.599 121.220 119.600 0.034 0.000 2.238 82 M HA 0.390 4.870 4.480 0.001 0.000 0.350 82 M C -0.086 176.222 176.300 0.013 0.000 1.138 82 M CA -0.394 54.953 55.300 0.077 0.000 1.040 82 M CB 1.723 34.396 32.600 0.121 0.000 1.639 82 M HN -0.181 nan 8.290 nan 0.000 0.451 83 L N 1.946 123.182 121.223 0.021 0.000 2.375 83 L HA 0.673 5.014 4.340 0.001 0.000 0.268 83 L C 0.286 177.166 176.870 0.017 0.000 1.058 83 L CA -0.384 54.459 54.840 0.006 0.000 0.803 83 L CB 1.838 43.901 42.059 0.006 0.000 1.212 83 L HN 0.851 nan 8.230 nan 0.000 0.451 84 S N -0.097 115.610 115.700 0.012 0.000 2.651 84 S HA 0.480 4.950 4.470 0.001 0.000 0.279 84 S C 0.325 174.938 174.600 0.022 0.000 1.148 84 S CA -1.036 57.180 58.200 0.028 0.000 0.837 84 S CB 2.003 65.225 63.200 0.037 0.000 1.138 84 S HN 0.571 nan 8.310 nan 0.000 0.478 85 R N 0.269 120.793 120.500 0.040 0.000 2.096 85 R HA 0.029 4.370 4.340 0.001 0.000 0.235 85 R C -1.073 175.230 176.300 0.004 0.000 1.127 85 R CA 1.394 57.514 56.100 0.033 0.000 0.968 85 R CB -1.642 28.694 30.300 0.059 0.000 0.861 85 R HN 0.504 nan 8.270 nan 0.000 0.440 86 P HA -0.100 nan 4.420 nan 0.000 0.217 86 P C 1.448 178.700 177.300 -0.080 0.000 1.150 86 P CA 0.986 64.020 63.100 -0.110 0.000 0.832 86 P CB 0.086 31.626 31.700 -0.267 0.000 0.787 87 V N -0.495 119.387 119.914 -0.053 0.000 2.244 87 V HA -0.176 3.945 4.120 0.001 0.000 0.244 87 V C 2.414 178.491 176.094 -0.028 0.000 1.042 87 V CA 1.735 64.010 62.300 -0.041 0.000 1.006 87 V CB -1.266 30.537 31.823 -0.034 0.000 0.641 87 V HN -0.070 nan 8.190 nan 0.000 0.446 88 V N 0.393 120.296 119.914 -0.018 0.000 2.594 88 V HA -0.241 3.880 4.120 0.001 0.000 0.253 88 V C 2.190 178.277 176.094 -0.011 0.000 1.069 88 V CA 2.017 64.310 62.300 -0.012 0.000 1.082 88 V CB -0.717 31.103 31.823 -0.005 0.000 0.680 88 V HN 0.576 nan 8.190 nan 0.000 0.469 89 D N -0.379 120.013 120.400 -0.013 0.000 2.123 89 D HA -0.075 4.566 4.640 0.001 0.000 0.200 89 D C 2.097 178.388 176.300 -0.014 0.000 0.976 89 D CA 0.875 54.869 54.000 -0.011 0.000 0.831 89 D CB -0.135 40.659 40.800 -0.010 0.000 0.974 89 D HN 0.305 nan 8.370 nan 0.000 0.469 90 L N 0.675 121.883 121.223 -0.025 0.000 2.027 90 L HA -0.150 4.191 4.340 0.001 0.000 0.206 90 L C 2.280 179.143 176.870 -0.011 0.000 1.074 90 L CA 1.275 56.102 54.840 -0.020 0.000 0.745 90 L CB -0.285 41.755 42.059 -0.032 0.000 0.898 90 L HN -0.040 nan 8.230 nan 0.000 0.433 91 A N -0.736 122.075 122.820 -0.016 0.000 1.908 91 A HA -0.243 4.077 4.320 0.001 0.000 0.218 91 A C 2.206 179.782 177.584 -0.013 0.000 1.181 91 A CA 2.525 54.553 52.037 -0.016 0.000 0.627 91 A CB -1.012 17.977 19.000 -0.019 0.000 0.818 91 A HN 0.484 nan 8.150 nan 0.000 0.445 92 T N -0.900 113.649 114.554 -0.009 0.000 2.777 92 T HA -0.108 4.243 4.350 0.001 0.000 0.266 92 T C 2.078 176.780 174.700 0.003 0.000 1.040 92 T CA 1.586 63.683 62.100 -0.005 0.000 1.141 92 T CB -0.221 68.645 68.868 -0.003 0.000 0.868 92 T HN 0.538 nan 8.240 nan 0.000 0.444 93 R N 1.416 121.920 120.500 0.007 0.000 2.082 93 R HA 0.007 4.347 4.340 0.001 0.000 0.234 93 R C 2.262 178.582 176.300 0.033 0.000 1.136 93 R CA 1.604 57.715 56.100 0.019 0.000 0.935 93 R CB -1.185 29.125 30.300 0.017 0.000 0.842 93 R HN 0.363 nan 8.270 nan 0.000 0.430 94 L N 0.097 121.339 121.223 0.032 0.000 2.089 94 L HA -0.231 4.109 4.340 0.001 0.000 0.213 94 L C 2.521 179.396 176.870 0.008 0.000 1.079 94 L CA 1.546 56.410 54.840 0.040 0.000 0.758 94 L CB -0.665 41.402 42.059 0.013 0.000 0.891 94 L HN 0.451 nan 8.230 nan 0.000 0.433 95 A N -0.046 122.770 122.820 -0.006 0.000 1.902 95 A HA -0.206 4.114 4.320 0.001 0.000 0.217 95 A C 2.047 179.631 177.584 -0.000 0.000 1.181 95 A CA 1.902 53.928 52.037 -0.018 0.000 0.623 95 A CB -0.475 18.514 19.000 -0.018 0.000 0.818 95 A HN 0.467 nan 8.150 nan 0.000 0.443 96 N N 0.259 118.970 118.700 0.018 0.000 2.216 96 N HA -0.076 4.665 4.740 0.001 0.000 0.183 96 N C 1.731 177.276 175.510 0.058 0.000 1.017 96 N CA 1.706 54.774 53.050 0.029 0.000 0.861 96 N CB -0.404 38.099 38.487 0.025 0.000 0.986 96 N HN 0.792 nan 8.380 nan 0.000 0.428 97 I N -0.724 119.905 120.570 0.099 0.000 3.226 97 I HA 0.065 4.235 4.170 0.001 0.000 0.277 97 I C 0.524 176.819 176.117 0.296 0.000 1.243 97 I CA 0.168 61.573 61.300 0.176 0.000 1.459 97 I CB -0.490 37.629 38.000 0.198 0.000 1.093 97 I HN -0.139 nan 8.210 nan 0.000 0.453 98 T N -0.173 114.475 114.554 0.156 0.000 2.899 98 T HA 0.460 4.810 4.350 0.001 0.000 0.284 98 T C -2.370 172.337 174.700 0.011 0.000 1.004 98 T CA -1.673 60.417 62.100 -0.017 0.000 1.043 98 T CB 0.641 69.341 68.868 -0.281 0.000 1.013 98 T HN -0.068 nan 8.240 nan 0.000 0.518 99 P HA 0.179 nan 4.420 nan 0.000 0.267 99 P C -2.424 174.866 177.300 -0.016 0.000 1.201 99 P CA -0.836 62.268 63.100 0.006 0.000 0.775 99 P CB -0.664 31.033 31.700 -0.004 0.000 0.854 100 P HA 0.118 nan 4.420 nan 0.000 0.268 100 P C 0.919 178.204 177.300 -0.026 0.000 1.205 100 P CA 1.154 64.246 63.100 -0.013 0.000 0.771 100 P CB 0.235 31.931 31.700 -0.006 0.000 0.858 101 G N 1.720 110.501 108.800 -0.031 0.000 2.307 101 G HA2 -0.177 3.783 3.960 0.001 0.000 0.210 101 G HA3 -0.177 3.783 3.960 0.001 0.000 0.210 101 G C -0.260 174.609 174.900 -0.052 0.000 1.005 101 G CA -0.512 44.565 45.100 -0.039 0.000 0.634 101 G HN 0.450 nan 8.290 nan 0.000 0.496 102 L N 2.199 123.384 121.223 -0.062 0.000 2.255 102 L HA 0.492 4.833 4.340 0.001 0.000 0.289 102 L C 0.232 177.062 176.870 -0.067 0.000 1.046 102 L CA -0.619 54.172 54.840 -0.081 0.000 0.816 102 L CB 1.134 43.121 42.059 -0.120 0.000 1.197 102 L HN 0.129 nan 8.230 nan 0.000 0.427 103 D N 1.516 121.880 120.400 -0.061 0.000 2.482 103 D HA 0.108 4.749 4.640 0.001 0.000 0.251 103 D C 0.460 176.732 176.300 -0.048 0.000 1.073 103 D CA 0.190 54.161 54.000 -0.048 0.000 0.892 103 D CB 0.883 41.659 40.800 -0.040 0.000 1.202 103 D HN 0.371 nan 8.370 nan 0.000 0.496 104 R N 1.156 121.622 120.500 -0.057 0.000 2.589 104 R HA 0.780 5.120 4.340 0.001 0.000 0.293 104 R C -0.533 175.732 176.300 -0.058 0.000 0.963 104 R CA -0.630 55.438 56.100 -0.053 0.000 0.905 104 R CB 2.334 32.601 30.300 -0.055 0.000 1.144 104 R HN -0.072 nan 8.270 nan 0.000 0.459 105 A N 2.423 125.216 122.820 -0.045 0.000 2.380 105 A HA 0.656 4.976 4.320 0.001 0.000 0.315 105 A C -1.331 176.237 177.584 -0.026 0.000 1.101 105 A CA -0.737 51.273 52.037 -0.044 0.000 0.771 105 A CB 1.557 20.534 19.000 -0.038 0.000 1.287 105 A HN 0.541 nan 8.150 nan 0.000 0.436 106 L N 2.188 123.397 121.223 -0.024 0.000 2.343 106 L HA 0.589 4.930 4.340 0.001 0.000 0.278 106 L C -1.337 175.531 176.870 -0.004 0.000 0.996 106 L CA -0.216 54.625 54.840 0.001 0.000 0.831 106 L CB 1.114 43.183 42.059 0.017 0.000 1.232 106 L HN 0.584 nan 8.230 nan 0.000 0.413 107 L N 6.720 127.944 121.223 0.002 0.000 2.261 107 L HA 0.412 4.752 4.340 0.001 0.000 0.289 107 L C -0.096 176.791 176.870 0.028 0.000 1.059 107 L CA -0.106 54.737 54.840 0.006 0.000 0.816 107 L CB 0.555 42.610 42.059 -0.007 0.000 1.191 107 L HN 0.681 nan 8.230 nan 0.000 0.431 108 L N 1.152 122.401 121.223 0.043 0.000 2.798 108 L HA 0.530 4.870 4.340 0.001 0.000 0.230 108 L C 0.966 177.884 176.870 0.080 0.000 1.868 108 L CA -0.306 54.584 54.840 0.084 0.000 2.126 108 L CB 0.858 42.983 42.059 0.110 0.000 2.569 108 L HN 0.474 nan 8.230 nan 0.000 0.592 109 S N -2.128 113.630 115.700 0.098 0.000 2.818 109 S HA 0.118 4.589 4.470 0.001 0.000 0.251 109 S C 0.197 174.837 174.600 0.067 0.000 1.083 109 S CA 0.249 58.495 58.200 0.077 0.000 0.871 109 S CB 0.882 64.141 63.200 0.098 0.000 0.831 109 S HN 0.778 nan 8.310 nan 0.000 0.470 110 T N -1.192 113.412 114.554 0.082 0.000 2.916 110 T HA 0.669 5.019 4.350 0.001 0.000 0.292 110 T C 1.246 175.993 174.700 0.078 0.000 1.064 110 T CA -0.057 62.090 62.100 0.077 0.000 1.011 110 T CB 1.439 70.355 68.868 0.080 0.000 1.152 110 T HN 0.034 nan 8.240 nan 0.000 0.510 111 G N 0.431 109.283 108.800 0.087 0.000 2.433 111 G HA2 0.043 4.004 3.960 0.001 0.000 0.216 111 G HA3 0.043 4.004 3.960 0.001 0.000 0.216 111 G C 1.730 176.678 174.900 0.080 0.000 1.186 111 G CA 0.922 46.078 45.100 0.093 0.000 0.779 111 G HN 1.161 nan 8.290 nan 0.000 0.543 112 A N 0.819 123.685 122.820 0.076 0.000 1.873 112 A HA -0.139 4.181 4.320 0.001 0.000 0.218 112 A C 2.184 179.804 177.584 0.060 0.000 1.193 112 A CA 2.221 54.283 52.037 0.043 0.000 0.629 112 A CB -0.666 18.348 19.000 0.023 0.000 0.826 112 A HN 0.505 nan 8.150 nan 0.000 0.447 113 E N 0.276 120.532 120.200 0.094 0.000 2.085 113 E HA -0.216 4.135 4.350 0.001 0.000 0.194 113 E C 2.197 178.842 176.600 0.075 0.000 0.994 113 E CA 1.856 58.352 56.400 0.160 0.000 0.801 113 E CB -0.146 29.667 29.700 0.188 0.000 0.743 113 E HN 0.767 nan 8.360 nan 0.000 0.453 114 S N 0.629 116.340 115.700 0.019 0.000 2.368 114 S HA -0.124 4.347 4.470 0.001 0.000 0.224 114 S C 1.758 176.297 174.600 -0.101 0.000 1.029 114 S CA 1.060 59.221 58.200 -0.065 0.000 0.988 114 S CB -0.429 62.759 63.200 -0.019 0.000 0.838 114 S HN 0.259 nan 8.310 nan 0.000 0.462 115 N N 1.690 120.367 118.700 -0.039 0.000 2.223 115 N HA -0.060 4.681 4.740 0.001 0.000 0.185 115 N C 1.731 177.195 175.510 -0.077 0.000 1.016 115 N CA 1.236 54.251 53.050 -0.059 0.000 0.863 115 N CB -0.384 38.083 38.487 -0.033 0.000 0.983 115 N HN 0.523 nan 8.380 nan 0.000 0.429 116 E N 1.284 121.461 120.200 -0.039 0.000 2.051 116 E HA -0.099 4.251 4.350 0.001 0.000 0.192 116 E C 1.974 178.517 176.600 -0.096 0.000 0.991 116 E CA 0.859 57.273 56.400 0.025 0.000 0.799 116 E CB -0.284 29.539 29.700 0.204 0.000 0.748 116 E HN 0.309 nan 8.360 nan 0.000 0.449 117 A N 1.610 124.139 122.820 -0.485 0.000 1.883 117 A HA -0.163 4.157 4.320 0.001 0.000 0.217 117 A C 2.445 179.867 177.584 -0.270 0.000 1.186 117 A CA 2.411 53.924 52.037 -0.873 0.000 0.624 117 A CB -0.686 17.642 19.000 -1.121 0.000 0.822 117 A HN 0.288 nan 8.150 nan 0.000 0.444 118 A N -0.188 122.509 122.820 -0.204 0.000 1.902 118 A HA -0.077 4.243 4.320 0.001 0.000 0.217 118 A C 2.138 179.671 177.584 -0.084 0.000 1.181 118 A CA 1.546 53.501 52.037 -0.137 0.000 0.623 118 A CB -0.612 18.317 19.000 -0.117 0.000 0.818 118 A HN 0.512 nan 8.150 nan 0.000 0.443 119 I N -1.181 119.353 120.570 -0.060 0.000 2.226 119 I HA -0.238 3.933 4.170 0.001 0.000 0.245 119 I C 2.720 178.859 176.117 0.037 0.000 1.100 119 I CA 1.661 62.948 61.300 -0.021 0.000 1.374 119 I CB -0.327 37.659 38.000 -0.023 0.000 1.057 119 I HN 0.365 nan 8.210 nan 0.000 0.413 120 R N 1.010 121.568 120.500 0.097 0.000 2.081 120 R HA -0.197 4.143 4.340 0.001 0.000 0.235 120 R C 2.426 178.863 176.300 0.229 0.000 1.131 120 R CA 1.581 57.803 56.100 0.202 0.000 0.960 120 R CB -0.201 30.297 30.300 0.331 0.000 0.856 120 R HN 0.273 nan 8.270 nan 0.000 0.436 121 M N -0.227 119.469 119.600 0.159 0.000 2.229 121 M HA -0.090 4.391 4.480 0.001 0.000 0.264 121 M C 1.981 178.233 176.300 -0.080 0.000 1.063 121 M CA 1.836 57.060 55.300 -0.126 0.000 1.114 121 M CB -0.003 32.282 32.600 -0.525 0.000 1.387 121 M HN 0.315 nan 8.290 nan 0.000 0.420 122 A N 0.680 123.474 122.820 -0.043 0.000 1.872 122 A HA -0.150 4.171 4.320 0.001 0.000 0.214 122 A C 2.029 179.617 177.584 0.008 0.000 1.187 122 A CA 1.662 53.681 52.037 -0.029 0.000 0.614 122 A CB -0.482 18.503 19.000 -0.026 0.000 0.826 122 A HN 0.540 nan 8.150 nan 0.000 0.442 123 K N -0.766 119.658 120.400 0.039 0.000 2.057 123 K HA -0.119 4.201 4.320 0.001 0.000 0.207 123 K C 1.918 178.561 176.600 0.071 0.000 1.049 123 K CA 1.362 57.689 56.287 0.067 0.000 0.931 123 K CB -0.394 32.164 32.500 0.097 0.000 0.714 123 K HN 0.386 nan 8.250 nan 0.000 0.440 124 L N 0.958 122.230 121.223 0.081 0.000 1.961 124 L HA -0.167 4.173 4.340 0.001 0.000 0.210 124 L C 2.115 179.013 176.870 0.047 0.000 1.072 124 L CA 1.521 56.412 54.840 0.085 0.000 0.749 124 L CB -0.577 41.566 42.059 0.140 0.000 0.889 124 L HN -0.108 nan 8.230 nan 0.000 0.432 125 V N -0.164 119.761 119.914 0.017 0.000 2.380 125 V HA -0.319 3.801 4.120 0.001 0.000 0.251 125 V C 2.591 178.686 176.094 0.003 0.000 1.063 125 V CA 2.241 64.539 62.300 -0.003 0.000 1.055 125 V CB -1.122 30.679 31.823 -0.037 0.000 0.657 125 V HN 0.837 nan 8.190 nan 0.000 0.455 126 T N -3.705 110.853 114.554 0.008 0.000 3.051 126 T HA 0.258 4.609 4.350 0.001 0.000 0.255 126 T C 1.666 176.377 174.700 0.018 0.000 1.085 126 T CA 1.072 63.176 62.100 0.007 0.000 1.109 126 T CB 0.607 69.476 68.868 0.002 0.000 0.921 126 T HN 0.946 nan 8.240 nan 0.000 0.488 127 G N 1.066 109.887 108.800 0.035 0.000 2.184 127 G HA2 -0.268 3.693 3.960 0.001 0.000 0.264 127 G HA3 -0.268 3.693 3.960 0.001 0.000 0.264 127 G C 0.102 175.044 174.900 0.069 0.000 0.975 127 G CA 0.650 45.780 45.100 0.051 0.000 0.642 127 G HN 0.700 nan 8.290 nan 0.000 0.536 128 K N -1.392 119.036 120.400 0.046 0.000 2.416 128 K HA 0.754 5.075 4.320 0.001 0.000 0.244 128 K C 0.556 177.195 176.600 0.064 0.000 1.044 128 K CA -0.191 56.101 56.287 0.009 0.000 0.972 128 K CB 0.525 32.978 32.500 -0.078 0.000 1.286 128 K HN 0.489 nan 8.250 nan 0.000 0.500 129 Y N -2.635 117.677 120.300 0.020 0.000 2.729 129 Y HA 0.443 4.994 4.550 0.001 0.000 0.266 129 Y C -0.673 175.223 175.900 -0.007 0.000 1.064 129 Y CA -0.642 57.461 58.100 0.005 0.000 1.251 129 Y CB 0.022 38.480 38.460 -0.003 0.000 1.379 129 Y HN 0.341 nan 8.280 nan 0.000 0.569 130 E N 2.013 121.967 120.200 -0.411 0.000 2.289 130 E HA 0.430 4.781 4.350 0.001 0.000 0.278 130 E C -1.264 175.306 176.600 -0.052 0.000 1.032 130 E CA -0.422 55.864 56.400 -0.190 0.000 0.854 130 E CB 1.513 31.123 29.700 -0.150 0.000 1.046 130 E HN 0.188 nan 8.360 nan 0.000 0.409 131 I N 3.195 123.738 120.570 -0.044 0.000 2.406 131 I HA 0.153 4.324 4.170 0.001 0.000 0.290 131 I C -0.793 175.263 176.117 -0.103 0.000 0.999 131 I CA -0.622 60.640 61.300 -0.064 0.000 1.124 131 I CB 1.865 39.822 38.000 -0.072 0.000 1.289 131 I HN 0.231 nan 8.210 nan 0.000 0.441 132 V N 5.770 125.545 119.914 -0.231 0.000 2.435 132 V HA 0.918 5.038 4.120 0.001 0.000 0.290 132 V C 0.493 175.954 176.094 -1.055 0.000 1.030 132 V CA -0.356 61.643 62.300 -0.501 0.000 0.881 132 V CB 1.084 32.588 31.823 -0.531 0.000 0.983 132 V HN 0.873 nan 8.190 nan 0.000 0.445 133 G N 2.253 110.558 108.800 -0.826 0.000 3.022 133 G HA2 0.716 4.677 3.960 0.001 0.000 0.284 133 G HA3 0.716 4.677 3.960 0.001 0.000 0.284 133 G C -1.599 172.990 174.900 -0.518 0.000 1.375 133 G CA -0.624 44.040 45.100 -0.727 0.000 0.902 133 G HN 0.281 nan 8.290 nan 0.000 0.538 134 F N 0.449 120.403 119.950 0.007 0.000 2.379 134 F HA 0.543 5.070 4.527 0.001 0.000 0.332 134 F C 1.619 177.401 175.800 -0.030 0.000 1.096 134 F CA -0.408 57.625 58.000 0.054 0.000 1.105 134 F CB 1.812 40.916 39.000 0.174 0.000 1.189 134 F HN 0.529 nan 8.300 nan 0.000 0.515 135 A N 2.048 124.968 122.820 0.167 0.000 2.024 135 A HA -0.140 4.180 4.320 0.001 0.000 0.220 135 A C 1.198 178.893 177.584 0.185 0.000 1.164 135 A CA 1.416 53.494 52.037 0.069 0.000 0.643 135 A CB -0.579 18.454 19.000 0.056 0.000 0.806 135 A HN 0.641 nan 8.150 nan 0.000 0.451 136 Q N 0.438 120.340 119.800 0.170 0.000 2.462 136 Q HA 0.273 4.613 4.340 0.001 0.000 0.395 136 Q C -0.375 175.725 176.000 0.166 0.000 0.911 136 Q CA 0.172 56.053 55.803 0.130 0.000 1.112 136 Q CB -0.627 28.106 28.738 -0.008 0.000 1.350 136 Q HN 0.471 nan 8.270 nan 0.000 0.407 137 S N -0.361 115.504 115.700 0.276 0.000 2.713 137 S HA 0.711 5.181 4.470 0.001 0.000 0.283 137 S C -0.676 174.019 174.600 0.159 0.000 1.161 137 S CA -0.615 57.720 58.200 0.225 0.000 0.999 137 S CB 1.796 65.205 63.200 0.349 0.000 1.039 137 S HN 0.554 nan 8.310 nan 0.000 0.548 138 W N 1.666 122.782 121.300 -0.307 0.000 3.216 138 W HA 0.358 5.018 4.660 0.001 0.000 0.335 138 W C -1.427 174.800 176.519 -0.487 0.000 1.077 138 W CA -0.380 56.807 57.345 -0.263 0.000 1.252 138 W CB 1.113 30.494 29.460 -0.132 0.000 1.312 138 W HN 0.978 nan 8.180 nan 0.000 0.446 139 H N 3.230 122.055 119.070 -0.408 0.000 3.233 139 H HA 0.350 4.907 4.556 0.001 0.000 0.263 139 H C 0.929 176.053 175.328 -0.339 0.000 1.168 139 H CA 0.724 56.636 56.048 -0.226 0.000 1.159 139 H CB 1.669 31.358 29.762 -0.121 0.000 1.593 139 H HN 0.579 nan 8.280 nan 0.000 0.580 140 G N 0.437 108.816 108.800 -0.702 0.000 2.353 140 G HA2 -0.081 3.880 3.960 0.001 0.000 0.424 140 G HA3 -0.081 3.880 3.960 0.001 0.000 0.424 140 G C 0.062 174.652 174.900 -0.516 0.000 1.320 140 G CA -0.525 44.330 45.100 -0.409 0.000 0.995 140 G HN -0.022 nan 8.290 nan 0.000 0.580 141 M N 0.764 120.233 119.600 -0.219 0.000 2.371 141 M HA 0.184 4.665 4.480 0.001 0.000 0.246 141 M C 1.430 177.670 176.300 -0.099 0.000 1.103 141 M CA 0.996 56.202 55.300 -0.156 0.000 1.010 141 M CB 0.025 32.623 32.600 -0.004 0.000 1.457 141 M HN 0.873 nan 8.290 nan 0.000 0.486 142 T N -2.173 112.332 114.554 -0.081 0.000 2.907 142 T HA 0.592 4.943 4.350 0.001 0.000 0.284 142 T C 1.385 176.049 174.700 -0.060 0.000 1.004 142 T CA 0.009 62.082 62.100 -0.045 0.000 1.063 142 T CB 2.150 71.017 68.868 -0.002 0.000 0.992 142 T HN 0.392 nan 8.240 nan 0.000 0.483 143 G N 2.379 111.151 108.800 -0.046 0.000 3.898 143 G HA2 -0.376 3.585 3.960 0.001 0.000 0.267 143 G HA3 -0.376 3.585 3.960 0.001 0.000 0.267 143 G C 1.616 176.475 174.900 -0.068 0.000 0.909 143 G CA 2.062 47.132 45.100 -0.050 0.000 0.790 143 G HN 1.549 nan 8.290 nan 0.000 1.411 144 A N 0.129 122.923 122.820 -0.043 0.000 1.902 144 A HA 0.292 4.612 4.320 0.001 0.000 0.217 144 A C 2.958 180.490 177.584 -0.086 0.000 1.181 144 A CA 2.850 54.854 52.037 -0.055 0.000 0.623 144 A CB -0.989 18.000 19.000 -0.020 0.000 0.818 144 A HN 1.660 nan 8.150 nan 0.000 0.443 145 A N -0.192 122.582 122.820 -0.076 0.000 1.940 145 A HA 0.120 4.440 4.320 0.001 0.000 0.219 145 A C 2.439 179.926 177.584 -0.163 0.000 1.176 145 A CA 2.158 54.142 52.037 -0.089 0.000 0.631 145 A CB -0.873 18.086 19.000 -0.068 0.000 0.814 145 A HN 1.065 nan 8.150 nan 0.000 0.446 146 A N -0.962 121.740 122.820 -0.197 0.000 1.968 146 A HA 0.050 4.371 4.320 0.001 0.000 0.217 146 A C 2.322 179.737 177.584 -0.281 0.000 1.169 146 A CA 1.678 53.552 52.037 -0.271 0.000 0.638 146 A CB -0.555 18.315 19.000 -0.216 0.000 0.812 146 A HN 0.428 nan 8.150 nan 0.000 0.446 147 S N -0.333 115.232 115.700 -0.225 0.000 2.453 147 S HA 0.137 4.608 4.470 0.001 0.000 0.231 147 S C 1.801 176.197 174.600 -0.340 0.000 1.005 147 S CA 0.818 58.865 58.200 -0.255 0.000 0.949 147 S CB -0.074 63.033 63.200 -0.155 0.000 0.774 147 S HN 0.735 nan 8.310 nan 0.000 0.510 148 A N 0.814 123.501 122.820 -0.221 0.000 2.308 148 A HA 0.284 4.605 4.320 0.001 0.000 0.217 148 A C 0.731 178.328 177.584 0.021 0.000 1.216 148 A CA 0.002 52.019 52.037 -0.033 0.000 0.864 148 A CB 0.069 19.043 19.000 -0.042 0.000 0.902 148 A HN 0.267 nan 8.150 nan 0.000 0.499 149 T N 0.108 114.491 114.554 -0.285 0.000 2.733 149 T HA 0.400 4.750 4.350 0.001 0.000 0.294 149 T C -0.140 174.328 174.700 -0.387 0.000 0.956 149 T CA 0.203 62.173 62.100 -0.216 0.000 0.987 149 T CB 0.123 68.748 68.868 -0.406 0.000 0.920 149 T HN 0.357 nan 8.240 nan 0.000 0.470 150 Y N 0.792 121.125 120.300 0.056 0.000 2.481 150 Y HA 0.128 4.679 4.550 0.001 0.000 0.247 150 Y C 2.482 178.436 175.900 0.090 0.000 1.151 150 Y CA -0.365 57.773 58.100 0.064 0.000 1.238 150 Y CB 0.180 38.682 38.460 0.070 0.000 1.179 150 Y HN 0.679 nan 8.280 nan 0.000 0.524 151 S N 0.216 116.060 115.700 0.240 0.000 2.387 151 S HA 0.332 4.802 4.470 0.001 0.000 0.226 151 S C 0.938 175.651 174.600 0.188 0.000 1.026 151 S CA 0.585 58.908 58.200 0.205 0.000 0.972 151 S CB -0.055 63.280 63.200 0.225 0.000 0.814 151 S HN 0.211 nan 8.310 nan 0.000 0.477 152 A N -1.676 121.283 122.820 0.232 0.000 2.586 152 A HA 0.651 4.971 4.320 0.001 0.000 0.290 152 A C 0.674 178.341 177.584 0.138 0.000 1.086 152 A CA -0.199 51.958 52.037 0.200 0.000 0.665 152 A CB 0.076 19.233 19.000 0.262 0.000 1.279 152 A HN 1.540 nan 8.150 nan 0.000 0.423 153 G N -0.392 108.466 108.800 0.096 0.000 2.148 153 G HA2 -0.241 3.720 3.960 0.001 0.000 0.254 153 G HA3 -0.241 3.720 3.960 0.001 0.000 0.254 153 G C 0.663 175.545 174.900 -0.031 0.000 0.981 153 G CA 0.815 45.935 45.100 0.035 0.000 0.670 153 G HN 0.877 nan 8.290 nan 0.000 0.528 154 R N -0.248 120.232 120.500 -0.034 0.000 2.276 154 R HA 0.127 4.467 4.340 0.001 0.000 0.196 154 R C 1.018 177.301 176.300 -0.028 0.000 0.961 154 R CA 0.600 56.664 56.100 -0.060 0.000 1.024 154 R CB 0.175 30.435 30.300 -0.066 0.000 0.940 154 R HN 0.382 nan 8.270 nan 0.000 0.480 155 K N -0.432 119.964 120.400 -0.007 0.000 2.139 155 K HA 0.366 4.686 4.320 0.001 0.000 0.243 155 K C 0.650 177.249 176.600 -0.001 0.000 0.983 155 K CA -0.061 56.226 56.287 -0.000 0.000 0.890 155 K CB 1.446 33.952 32.500 0.010 0.000 1.090 155 K HN 0.058 nan 8.250 nan 0.000 0.445 156 G N -0.141 108.659 108.800 -0.001 0.000 2.196 156 G HA2 -0.283 3.677 3.960 0.001 0.000 0.268 156 G HA3 -0.283 3.677 3.960 0.001 0.000 0.268 156 G C 0.387 175.285 174.900 -0.004 0.000 0.975 156 G CA 0.725 45.825 45.100 -0.000 0.000 0.648 156 G HN 0.537 nan 8.290 nan 0.000 0.538 157 V N -3.035 116.873 119.914 -0.010 0.000 2.991 157 V HA 0.719 4.840 4.120 0.001 0.000 0.355 157 V C 1.161 177.242 176.094 -0.022 0.000 1.384 157 V CA 0.231 62.523 62.300 -0.015 0.000 1.171 157 V CB -0.204 31.609 31.823 -0.018 0.000 1.190 157 V HN 2.208 nan 8.190 nan 0.000 0.540 158 G N 1.300 110.088 108.800 -0.019 0.000 2.828 158 G HA2 -0.099 3.862 3.960 0.001 0.000 0.463 158 G HA3 -0.099 3.862 3.960 0.001 0.000 0.463 158 G C -2.126 172.756 174.900 -0.030 0.000 1.394 158 G CA -0.404 44.682 45.100 -0.023 0.000 0.862 158 G HN 0.585 nan 8.290 nan 0.000 0.540 159 P HA 0.473 nan 4.420 nan 0.000 0.266 159 P C 0.606 177.873 177.300 -0.055 0.000 1.193 159 P CA 0.661 63.737 63.100 -0.039 0.000 0.770 159 P CB 0.416 32.093 31.700 -0.038 0.000 0.836 160 A N 2.059 124.840 122.820 -0.064 0.000 2.250 160 A HA 0.635 4.956 4.320 0.001 0.000 0.283 160 A C 0.216 177.748 177.584 -0.085 0.000 1.206 160 A CA -0.055 51.928 52.037 -0.089 0.000 0.840 160 A CB -0.350 18.587 19.000 -0.106 0.000 1.220 160 A HN 0.611 nan 8.150 nan 0.000 0.505 161 A N -0.705 122.058 122.820 -0.094 0.000 2.407 161 A HA 0.485 4.805 4.320 0.001 0.000 0.248 161 A C 0.280 177.813 177.584 -0.086 0.000 1.082 161 A CA -0.295 51.693 52.037 -0.081 0.000 0.785 161 A CB -0.341 18.617 19.000 -0.070 0.000 1.020 161 A HN 1.044 nan 8.150 nan 0.000 0.489 162 V N 1.635 121.499 119.914 -0.083 0.000 2.673 162 V HA 0.383 4.504 4.120 0.001 0.000 0.303 162 V C 1.567 177.660 176.094 -0.002 0.000 1.046 162 V CA 1.602 63.855 62.300 -0.079 0.000 1.126 162 V CB 0.279 32.011 31.823 -0.152 0.000 0.934 162 V HN 2.010 nan 8.190 nan 0.000 0.487 163 G N 3.632 112.395 108.800 -0.062 0.000 2.149 163 G HA2 -0.219 3.741 3.960 0.001 0.000 0.235 163 G HA3 -0.219 3.741 3.960 0.001 0.000 0.235 163 G C 0.163 174.743 174.900 -0.533 0.000 1.018 163 G CA 0.088 45.075 45.100 -0.188 0.000 0.728 163 G HN 0.776 nan 8.290 nan 0.000 0.508 164 S N -0.002 115.378 115.700 -0.533 0.000 2.452 164 S HA 0.801 5.271 4.470 0.001 0.000 0.284 164 S C -0.371 173.920 174.600 -0.515 0.000 1.171 164 S CA -0.211 57.776 58.200 -0.355 0.000 1.064 164 S CB 0.771 63.908 63.200 -0.106 0.000 0.967 164 S HN 0.338 nan 8.310 nan 0.000 0.484 165 F N 0.848 120.794 119.950 -0.008 0.000 2.640 165 F HA 0.832 5.360 4.527 0.001 0.000 0.324 165 F C 0.136 175.711 175.800 -0.375 0.000 1.077 165 F CA -1.170 56.741 58.000 -0.148 0.000 0.965 165 F CB 1.608 40.491 39.000 -0.195 0.000 1.351 165 F HN 0.571 nan 8.300 nan 0.000 0.487 166 A N 1.966 124.629 122.820 -0.260 0.000 2.517 166 A HA 0.768 5.088 4.320 0.001 0.000 0.297 166 A C -1.610 175.825 177.584 -0.248 0.000 1.050 166 A CA -0.603 51.111 52.037 -0.538 0.000 0.694 166 A CB 1.550 19.839 19.000 -1.186 0.000 1.277 166 A HN 0.724 nan 8.150 nan 0.000 0.400 167 I N -0.379 120.122 120.570 -0.115 0.000 2.750 167 I HA 0.801 4.972 4.170 0.001 0.000 0.308 167 I C -3.043 173.202 176.117 0.213 0.000 1.016 167 I CA -2.911 58.420 61.300 0.051 0.000 1.098 167 I CB 1.003 39.061 38.000 0.096 0.000 1.279 167 I HN 0.232 nan 8.210 nan 0.000 0.454 168 P HA 0.224 nan 4.420 nan 0.000 0.269 168 P C -0.701 176.729 177.300 0.217 0.000 1.215 168 P CA -0.012 63.199 63.100 0.185 0.000 0.780 168 P CB 0.504 32.302 31.700 0.164 0.000 0.898 169 A N 4.185 127.000 122.820 -0.009 0.000 2.316 169 A HA 0.503 4.823 4.320 0.001 0.000 0.284 169 A C -2.146 175.283 177.584 -0.258 0.000 1.115 169 A CA -1.571 50.166 52.037 -0.500 0.000 0.812 169 A CB -0.481 18.083 19.000 -0.727 0.000 1.064 169 A HN 0.414 nan 8.150 nan 0.000 0.489 170 P HA 0.184 nan 4.420 nan 0.000 0.275 170 P C -1.333 175.972 177.300 0.009 0.000 1.276 170 P CA 0.306 63.303 63.100 -0.172 0.000 0.782 170 P CB 0.185 31.506 31.700 -0.632 0.000 0.851 171 F N 4.474 124.433 119.950 0.015 0.000 2.552 171 F HA 0.187 4.714 4.527 0.001 0.000 0.369 171 F C 1.486 177.290 175.800 0.007 0.000 1.112 171 F CA -0.862 57.123 58.000 -0.026 0.000 1.129 171 F CB 0.711 39.677 39.000 -0.057 0.000 1.360 171 F HN 0.218 nan 8.300 nan 0.000 0.473 172 T N 1.578 116.137 114.554 0.008 0.000 2.803 172 T HA -0.266 4.085 4.350 0.001 0.000 0.269 172 T C 1.739 176.264 174.700 -0.292 0.000 1.052 172 T CA 1.604 63.693 62.100 -0.018 0.000 1.136 172 T CB -0.730 68.197 68.868 0.098 0.000 0.864 172 T HN 0.575 nan 8.240 nan 0.000 0.467 173 Y N 2.593 122.446 120.300 -0.745 0.000 2.314 173 Y HA 0.217 4.768 4.550 0.001 0.000 0.293 173 Y C 1.510 177.014 175.900 -0.659 0.000 1.129 173 Y CA 0.474 58.170 58.100 -0.673 0.000 1.201 173 Y CB 0.088 38.127 38.460 -0.702 0.000 0.999 173 Y HN 0.108 nan 8.280 nan 0.000 0.541 174 R N 1.291 121.198 120.500 -0.989 0.000 3.026 174 R HA 0.246 4.587 4.340 0.001 0.000 0.317 174 R C -2.654 173.401 176.300 -0.410 0.000 1.278 174 R CA -1.814 53.950 56.100 -0.560 0.000 1.407 174 R CB 0.302 30.502 30.300 -0.168 0.000 1.368 174 R HN 0.143 nan 8.270 nan 0.000 0.612 175 P HA 0.026 nan 4.420 nan 0.000 0.269 175 P C -0.297 176.746 177.300 -0.429 0.000 1.209 175 P CA 0.007 62.572 63.100 -0.892 0.000 0.776 175 P CB 0.995 31.924 31.700 -1.286 0.000 0.876 176 R N 0.845 121.204 120.500 -0.236 0.000 2.549 176 R HA 0.274 4.614 4.340 0.001 0.000 0.399 176 R C -0.594 175.789 176.300 0.138 0.000 0.964 176 R CA -0.185 55.901 56.100 -0.022 0.000 1.173 176 R CB 0.373 30.692 30.300 0.033 0.000 1.535 176 R HN 0.355 nan 8.270 nan 0.000 0.551 177 F N 2.040 122.054 119.950 0.106 0.000 2.513 177 F HA 0.337 4.865 4.527 0.001 0.000 0.358 177 F C -0.365 175.570 175.800 0.224 0.000 1.118 177 F CA -0.792 57.306 58.000 0.163 0.000 1.037 177 F CB 1.126 40.268 39.000 0.236 0.000 1.276 177 F HN -0.152 nan 8.300 nan 0.000 0.446 178 E N 5.269 125.341 120.200 -0.213 0.000 2.204 178 E HA 0.538 4.888 4.350 0.001 0.000 0.276 178 E C -0.850 175.606 176.600 -0.239 0.000 0.974 178 E CA -0.737 55.593 56.400 -0.117 0.000 0.815 178 E CB 0.895 30.530 29.700 -0.109 0.000 1.119 178 E HN 0.498 nan 8.360 nan 0.000 0.393 179 R N 3.568 124.016 120.500 -0.086 0.000 2.695 179 R HA 0.192 4.532 4.340 0.001 0.000 0.288 179 R C -1.145 175.132 176.300 -0.039 0.000 1.344 179 R CA -0.564 55.490 56.100 -0.077 0.000 1.005 179 R CB 0.749 31.041 30.300 -0.014 0.000 1.233 179 R HN 0.756 nan 8.270 nan 0.000 0.442 180 N N 1.229 119.902 118.700 -0.045 0.000 2.806 180 N HA -0.165 4.575 4.740 0.001 0.000 0.248 180 N C 0.737 176.235 175.510 -0.021 0.000 1.081 180 N CA 1.234 54.267 53.050 -0.030 0.000 0.680 180 N CB -1.100 37.373 38.487 -0.023 0.000 0.941 180 N HN 1.047 nan 8.380 nan 0.000 0.554 181 G N -1.802 106.982 108.800 -0.026 0.000 2.205 181 G HA2 -0.163 3.798 3.960 0.001 0.000 0.269 181 G HA3 -0.163 3.798 3.960 0.001 0.000 0.269 181 G C 0.278 175.180 174.900 0.004 0.000 0.977 181 G CA 1.346 46.437 45.100 -0.016 0.000 0.652 181 G HN 1.339 nan 8.290 nan 0.000 0.539 182 A N -1.096 121.734 122.820 0.016 0.000 2.384 182 A HA 0.680 5.001 4.320 0.001 0.000 0.312 182 A C -0.480 177.176 177.584 0.120 0.000 1.113 182 A CA -0.605 51.464 52.037 0.055 0.000 0.779 182 A CB 1.112 20.129 19.000 0.029 0.000 1.307 182 A HN 1.255 nan 8.150 nan 0.000 0.436 183 Y N 1.737 122.050 120.300 0.023 0.000 2.585 183 Y HA 0.298 4.848 4.550 0.001 0.000 0.354 183 Y C -0.305 175.643 175.900 0.081 0.000 1.024 183 Y CA -0.876 57.270 58.100 0.076 0.000 1.321 183 Y CB 0.339 38.862 38.460 0.105 0.000 1.151 183 Y HN 0.574 nan 8.280 nan 0.000 0.525 184 D N 6.213 126.595 120.400 -0.031 0.000 2.524 184 D HA -0.008 4.632 4.640 0.001 0.000 0.222 184 D C 0.548 176.680 176.300 -0.280 0.000 1.142 184 D CA -0.298 53.577 54.000 -0.208 0.000 0.973 184 D CB -0.221 40.588 40.800 0.014 0.000 1.025 184 D HN 0.688 nan 8.370 nan 0.000 0.519 185 Y N 1.229 121.156 120.300 -0.622 0.000 2.497 185 Y HA -0.003 4.547 4.550 0.001 0.000 0.292 185 Y C 1.281 177.133 175.900 -0.080 0.000 1.137 185 Y CA 0.145 57.963 58.100 -0.470 0.000 1.285 185 Y CB -0.322 37.795 38.460 -0.571 0.000 0.991 185 Y HN 0.196 nan 8.280 nan 0.000 0.556 186 L N 0.871 121.988 121.223 -0.177 0.000 2.127 186 L HA 0.217 4.558 4.340 0.001 0.000 0.203 186 L C 2.604 179.450 176.870 -0.039 0.000 1.080 186 L CA 1.386 56.206 54.840 -0.034 0.000 0.768 186 L CB -1.325 40.634 42.059 -0.168 0.000 0.924 186 L HN 0.328 nan 8.230 nan 0.000 0.444 187 A N -1.022 121.772 122.820 -0.044 0.000 1.969 187 A HA -0.234 4.087 4.320 0.001 0.000 0.218 187 A C 2.269 179.783 177.584 -0.117 0.000 1.169 187 A CA 1.617 53.688 52.037 0.056 0.000 0.635 187 A CB -0.534 18.609 19.000 0.238 0.000 0.810 187 A HN 0.506 nan 8.150 nan 0.000 0.445 188 E N -0.310 119.627 120.200 -0.439 0.000 2.204 188 E HA -0.135 4.215 4.350 0.001 0.000 0.194 188 E C 1.854 178.305 176.600 -0.250 0.000 0.989 188 E CA 0.704 56.491 56.400 -1.023 0.000 0.824 188 E CB -0.149 29.157 29.700 -0.656 0.000 0.756 188 E HN 0.641 nan 8.360 nan 0.000 0.477 189 L N 0.874 122.097 121.223 0.000 0.000 2.044 189 L HA -0.177 4.163 4.340 0.001 0.000 0.205 189 L C 1.738 178.703 176.870 0.158 0.000 1.075 189 L CA 1.562 56.492 54.840 0.151 0.000 0.747 189 L CB -0.280 41.819 42.059 0.068 0.000 0.903 189 L HN 0.187 nan 8.230 nan 0.000 0.435 190 D N -0.902 119.545 120.400 0.078 0.000 2.117 190 D HA -0.273 4.368 4.640 0.001 0.000 0.197 190 D C 1.868 178.253 176.300 0.142 0.000 0.987 190 D CA 1.415 55.472 54.000 0.094 0.000 0.829 190 D CB -0.434 40.405 40.800 0.065 0.000 0.961 190 D HN 0.367 nan 8.370 nan 0.000 0.460 191 Y N 2.024 122.314 120.300 -0.016 0.000 2.097 191 Y HA -0.258 4.292 4.550 0.001 0.000 0.282 191 Y C 2.422 178.332 175.900 0.017 0.000 1.152 191 Y CA 1.946 60.052 58.100 0.010 0.000 1.136 191 Y CB -0.464 37.955 38.460 -0.068 0.000 0.975 191 Y HN -0.036 nan 8.280 nan 0.000 0.498 192 A N -0.099 122.797 122.820 0.127 0.000 1.851 192 A HA -0.246 4.075 4.320 0.001 0.000 0.216 192 A C 2.159 179.714 177.584 -0.048 0.000 1.195 192 A CA 1.976 54.039 52.037 0.043 0.000 0.622 192 A CB -1.620 17.452 19.000 0.119 0.000 0.831 192 A HN 0.535 nan 8.150 nan 0.000 0.444 193 F N 0.566 120.498 119.950 -0.030 0.000 2.202 193 F HA -0.187 4.340 4.527 0.001 0.000 0.301 193 F C 2.068 177.804 175.800 -0.107 0.000 1.082 193 F CA 1.805 59.772 58.000 -0.056 0.000 1.313 193 F CB -0.160 38.820 39.000 -0.034 0.000 1.024 193 F HN 0.251 nan 8.300 nan 0.000 0.495 194 D N -0.197 120.233 120.400 0.049 0.000 2.097 194 D HA -0.165 4.476 4.640 0.001 0.000 0.195 194 D C 2.274 178.501 176.300 -0.122 0.000 0.989 194 D CA 0.924 54.902 54.000 -0.036 0.000 0.827 194 D CB -0.618 40.140 40.800 -0.070 0.000 0.966 194 D HN 0.158 nan 8.370 nan 0.000 0.456 195 L N 0.927 122.029 121.223 -0.202 0.000 2.046 195 L HA -0.134 4.207 4.340 0.001 0.000 0.208 195 L C 1.987 178.696 176.870 -0.268 0.000 1.077 195 L CA 1.263 55.963 54.840 -0.233 0.000 0.747 195 L CB -0.613 41.291 42.059 -0.260 0.000 0.896 195 L HN -0.032 nan 8.230 nan 0.000 0.432 196 I N 0.027 120.406 120.570 -0.318 0.000 2.127 196 I HA -0.299 3.872 4.170 0.001 0.000 0.241 196 I C 2.248 178.125 176.117 -0.399 0.000 1.075 196 I CA 1.499 62.502 61.300 -0.496 0.000 1.334 196 I CB -1.336 36.328 38.000 -0.559 0.000 1.040 196 I HN 0.339 nan 8.210 nan 0.000 0.405 197 D N 0.429 120.714 120.400 -0.191 0.000 2.158 197 D HA -0.191 4.449 4.640 0.001 0.000 0.197 197 D C 2.203 178.426 176.300 -0.129 0.000 0.995 197 D CA 0.939 54.872 54.000 -0.112 0.000 0.846 197 D CB -0.209 40.574 40.800 -0.027 0.000 0.941 197 D HN 0.255 nan 8.370 nan 0.000 0.456 198 R N 0.573 120.988 120.500 -0.141 0.000 2.148 198 R HA -0.049 4.291 4.340 0.001 0.000 0.227 198 R C 2.146 178.376 176.300 -0.117 0.000 1.103 198 R CA 0.787 56.821 56.100 -0.110 0.000 0.983 198 R CB -0.286 29.951 30.300 -0.104 0.000 0.874 198 R HN 0.507 nan 8.270 nan 0.000 0.451 199 Q N -0.282 119.394 119.800 -0.208 0.000 2.297 199 Q HA 0.084 4.425 4.340 0.001 0.000 0.203 199 Q C 0.768 176.702 176.000 -0.111 0.000 0.931 199 Q CA -0.066 55.631 55.803 -0.177 0.000 0.885 199 Q CB 0.125 28.671 28.738 -0.321 0.000 0.991 199 Q HN 0.032 nan 8.270 nan 0.000 0.498 200 S N 1.313 116.867 115.700 -0.243 0.000 2.561 200 S HA -0.057 4.413 4.470 0.001 0.000 0.294 200 S C 0.992 175.610 174.600 0.030 0.000 1.294 200 S CA 0.208 58.373 58.200 -0.060 0.000 1.055 200 S CB 0.556 63.695 63.200 -0.102 0.000 0.819 200 S HN 0.411 nan 8.310 nan 0.000 0.503 201 S N 3.135 118.883 115.700 0.080 0.000 2.634 201 S HA 0.367 4.838 4.470 0.001 0.000 0.221 201 S C 1.297 175.912 174.600 0.024 0.000 0.952 201 S CA 0.258 58.501 58.200 0.071 0.000 0.930 201 S CB -0.335 62.946 63.200 0.136 0.000 0.780 201 S HN 2.027 nan 8.310 nan 0.000 0.498 202 G N 1.789 110.584 108.800 -0.009 0.000 2.132 202 G HA2 -0.207 3.753 3.960 0.001 0.000 0.234 202 G HA3 -0.207 3.753 3.960 0.001 0.000 0.234 202 G C -0.021 174.845 174.900 -0.057 0.000 0.989 202 G CA 0.010 45.097 45.100 -0.021 0.000 0.676 202 G HN 0.566 nan 8.290 nan 0.000 0.522 203 N N 0.338 118.955 118.700 -0.139 0.000 2.599 203 N HA 0.240 4.981 4.740 0.001 0.000 0.309 203 N C 0.200 175.539 175.510 -0.285 0.000 1.743 203 N CA -0.212 52.681 53.050 -0.261 0.000 0.918 203 N CB 0.611 38.780 38.487 -0.530 0.000 1.339 203 N HN 0.346 nan 8.380 nan 0.000 0.493 204 L N 1.060 122.212 121.223 -0.118 0.000 2.369 204 L HA 0.230 4.570 4.340 0.001 0.000 0.279 204 L C 1.496 178.344 176.870 -0.036 0.000 1.108 204 L CA -0.169 54.641 54.840 -0.049 0.000 0.852 204 L CB 0.921 42.998 42.059 0.030 0.000 1.169 204 L HN 0.192 nan 8.230 nan 0.000 0.452 205 A N 3.442 126.238 122.820 -0.039 0.000 1.924 205 A HA 0.652 4.973 4.320 0.001 0.000 0.211 205 A C 0.881 178.475 177.584 0.016 0.000 1.198 205 A CA 1.002 53.032 52.037 -0.013 0.000 0.657 205 A CB 0.178 19.173 19.000 -0.009 0.000 0.852 205 A HN 0.767 nan 8.150 nan 0.000 0.454 206 A N -2.451 120.388 122.820 0.033 0.000 2.438 206 A HA 0.573 4.894 4.320 0.001 0.000 0.301 206 A C -2.028 175.625 177.584 0.114 0.000 1.101 206 A CA -0.355 51.724 52.037 0.070 0.000 0.621 206 A CB 0.105 19.122 19.000 0.028 0.000 1.350 206 A HN 0.865 nan 8.150 nan 0.000 0.496 207 F N 0.850 120.786 119.950 -0.023 0.000 2.579 207 F HA 0.672 5.199 4.527 0.001 0.000 0.325 207 F C -1.204 174.536 175.800 -0.100 0.000 1.162 207 F CA -1.412 56.559 58.000 -0.049 0.000 0.946 207 F CB 1.169 40.176 39.000 0.011 0.000 1.211 207 F HN 0.411 nan 8.300 nan 0.000 0.447 208 I N 5.130 125.694 120.570 -0.011 0.000 2.396 208 I HA 0.755 4.925 4.170 0.001 0.000 0.292 208 I C -0.053 176.146 176.117 0.136 0.000 0.999 208 I CA -0.633 60.634 61.300 -0.054 0.000 1.310 208 I CB 0.876 38.602 38.000 -0.457 0.000 1.404 208 I HN 0.655 nan 8.210 nan 0.000 0.496 209 A N 4.341 127.304 122.820 0.238 0.000 2.520 209 A HA 0.725 5.046 4.320 0.001 0.000 0.298 209 A C -0.972 176.857 177.584 0.407 0.000 1.051 209 A CA -0.778 51.477 52.037 0.363 0.000 0.690 209 A CB 1.080 20.258 19.000 0.296 0.000 1.281 209 A HN 0.701 nan 8.150 nan 0.000 0.402 210 E N 2.390 122.882 120.200 0.487 0.000 2.197 210 E HA 0.320 4.671 4.350 0.001 0.000 0.281 210 E C -1.924 174.848 176.600 0.288 0.000 0.995 210 E CA -1.728 54.875 56.400 0.338 0.000 0.808 210 E CB 1.586 31.444 29.700 0.262 0.000 1.093 210 E HN 0.347 nan 8.360 nan 0.000 0.394 211 P HA -0.121 nan 4.420 nan 0.000 0.216 211 P C -0.169 177.198 177.300 0.112 0.000 1.153 211 P CA 1.314 64.511 63.100 0.161 0.000 0.858 211 P CB 0.337 32.116 31.700 0.132 0.000 0.789 212 I N -1.200 119.425 120.570 0.093 0.000 2.468 212 I HA 0.140 4.311 4.170 0.001 0.000 0.285 212 I C -0.792 175.351 176.117 0.042 0.000 1.039 212 I CA -1.198 60.127 61.300 0.040 0.000 1.074 212 I CB 1.958 39.972 38.000 0.024 0.000 1.228 212 I HN -0.327 nan 8.210 nan 0.000 0.436 213 L N 5.517 126.744 121.223 0.007 0.000 2.456 213 L HA 0.104 4.445 4.340 0.001 0.000 0.277 213 L C 1.352 178.205 176.870 -0.029 0.000 1.124 213 L CA 0.814 55.658 54.840 0.007 0.000 0.880 213 L CB 0.820 42.849 42.059 -0.050 0.000 1.192 213 L HN 0.633 nan 8.230 nan 0.000 0.463 214 S N 1.353 117.047 115.700 -0.010 0.000 2.325 214 S HA -0.116 4.354 4.470 0.001 0.000 0.214 214 S C 2.031 176.580 174.600 -0.085 0.000 1.031 214 S CA 1.399 59.573 58.200 -0.044 0.000 0.972 214 S CB 0.115 63.293 63.200 -0.036 0.000 0.908 214 S HN 0.741 nan 8.310 nan 0.000 0.453 215 S N 0.810 116.449 115.700 -0.103 0.000 2.374 215 S HA -0.088 4.383 4.470 0.001 0.000 0.227 215 S C 1.809 176.347 174.600 -0.102 0.000 1.037 215 S CA 1.261 59.366 58.200 -0.160 0.000 1.024 215 S CB -0.948 62.140 63.200 -0.186 0.000 0.861 215 S HN 0.709 nan 8.310 nan 0.000 0.456 216 G N 0.089 108.849 108.800 -0.067 0.000 2.916 216 G HA2 0.334 4.294 3.960 0.001 0.000 0.205 216 G HA3 0.334 4.294 3.960 0.001 0.000 0.205 216 G C 0.792 175.574 174.900 -0.196 0.000 1.163 216 G CA 0.331 45.365 45.100 -0.110 0.000 0.821 216 G HN 0.929 nan 8.290 nan 0.000 0.515 217 G N 0.180 108.889 108.800 -0.153 0.000 2.207 217 G HA2 -0.102 3.859 3.960 0.001 0.000 0.216 217 G HA3 -0.102 3.859 3.960 0.001 0.000 0.216 217 G C 0.359 175.192 174.900 -0.112 0.000 1.053 217 G CA -0.428 44.587 45.100 -0.143 0.000 0.764 217 G HN 0.992 nan 8.290 nan 0.000 0.495 218 I N -1.218 119.300 120.570 -0.086 0.000 6.400 218 I HA -0.241 3.929 4.170 0.001 0.000 0.126 218 I C 0.643 176.739 176.117 -0.035 0.000 1.494 218 I CA 1.015 62.287 61.300 -0.047 0.000 2.484 218 I CB -0.738 37.250 38.000 -0.019 0.000 2.837 218 I HN 0.424 nan 8.210 nan 0.000 0.286 219 I N 4.203 124.720 120.570 -0.088 0.000 2.371 219 I HA 0.257 4.428 4.170 0.001 0.000 0.282 219 I C 0.772 176.852 176.117 -0.060 0.000 1.031 219 I CA -0.482 60.774 61.300 -0.072 0.000 1.180 219 I CB 1.070 38.897 38.000 -0.287 0.000 1.336 219 I HN 0.400 nan 8.210 nan 0.000 0.467 220 E N 7.103 127.296 120.200 -0.011 0.000 2.259 220 E HA 0.278 4.629 4.350 0.001 0.000 0.281 220 E C -0.591 175.952 176.600 -0.096 0.000 1.037 220 E CA -0.672 55.708 56.400 -0.033 0.000 0.854 220 E CB 0.910 30.605 29.700 -0.008 0.000 1.051 220 E HN 0.519 nan 8.360 nan 0.000 0.409 221 L N 7.664 128.814 121.223 -0.122 0.000 2.534 221 L HA 0.139 4.480 4.340 0.001 0.000 0.271 221 L C -1.543 175.213 176.870 -0.190 0.000 1.178 221 L CA -1.499 53.199 54.840 -0.236 0.000 0.907 221 L CB -0.273 41.735 42.059 -0.085 0.000 1.164 221 L HN 0.518 nan 8.230 nan 0.000 0.482 222 P HA -0.040 nan 4.420 nan 0.000 0.271 222 P C -0.821 176.414 177.300 -0.109 0.000 1.233 222 P CA -0.398 62.481 63.100 -0.368 0.000 0.795 222 P CB 0.487 31.556 31.700 -1.051 0.000 0.936 223 D N -0.474 119.949 120.400 0.038 0.000 2.472 223 D HA 0.320 4.961 4.640 0.001 0.000 0.248 223 D C 1.560 178.004 176.300 0.240 0.000 1.174 223 D CA 1.768 55.853 54.000 0.141 0.000 0.883 223 D CB -0.564 40.319 40.800 0.139 0.000 1.149 223 D HN 0.706 nan 8.370 nan 0.000 0.488 224 G N 1.586 110.491 108.800 0.175 0.000 2.217 224 G HA2 -0.433 3.527 3.960 0.001 0.000 0.246 224 G HA3 -0.433 3.527 3.960 0.001 0.000 0.246 224 G C 0.917 175.928 174.900 0.184 0.000 0.990 224 G CA 0.398 45.594 45.100 0.160 0.000 0.627 224 G HN 0.542 nan 8.290 nan 0.000 0.522 225 Y N 0.517 120.891 120.300 0.122 0.000 2.089 225 Y HA 0.023 4.573 4.550 0.001 0.000 0.282 225 Y C 2.906 178.830 175.900 0.041 0.000 1.139 225 Y CA 3.099 61.257 58.100 0.097 0.000 1.123 225 Y CB -0.387 38.081 38.460 0.014 0.000 0.980 225 Y HN 0.296 nan 8.280 nan 0.000 0.493 226 M N 0.439 120.161 119.600 0.203 0.000 2.088 226 M HA -0.292 4.188 4.480 0.001 0.000 0.256 226 M C 2.264 178.534 176.300 -0.050 0.000 1.071 226 M CA 2.366 57.717 55.300 0.085 0.000 1.097 226 M CB -0.930 31.736 32.600 0.109 0.000 1.315 226 M HN 0.376 nan 8.290 nan 0.000 0.406 227 A N -0.587 122.215 122.820 -0.029 0.000 1.865 227 A HA -0.040 4.280 4.320 0.001 0.000 0.217 227 A C 2.377 179.885 177.584 -0.126 0.000 1.191 227 A CA 2.521 54.522 52.037 -0.060 0.000 0.623 227 A CB -1.582 17.401 19.000 -0.028 0.000 0.826 227 A HN 0.675 nan 8.150 nan 0.000 0.444 228 A N -0.518 122.210 122.820 -0.154 0.000 1.883 228 A HA -0.100 4.221 4.320 0.001 0.000 0.217 228 A C 2.172 179.556 177.584 -0.334 0.000 1.186 228 A CA 1.942 53.845 52.037 -0.224 0.000 0.624 228 A CB -0.766 18.099 19.000 -0.225 0.000 0.822 228 A HN 0.784 nan 8.150 nan 0.000 0.444 229 L N -0.177 120.778 121.223 -0.446 0.000 1.989 229 L HA -0.177 4.164 4.340 0.001 0.000 0.211 229 L C 2.288 178.938 176.870 -0.367 0.000 1.071 229 L CA 2.909 57.454 54.840 -0.492 0.000 0.749 229 L CB -0.771 40.974 42.059 -0.524 0.000 0.890 229 L HN 0.351 nan 8.230 nan 0.000 0.431 230 K N -0.063 120.185 120.400 -0.254 0.000 2.089 230 K HA -0.220 4.100 4.320 0.001 0.000 0.210 230 K C 2.261 178.746 176.600 -0.192 0.000 1.048 230 K CA 1.887 58.064 56.287 -0.182 0.000 0.926 230 K CB -0.291 32.138 32.500 -0.119 0.000 0.714 230 K HN 0.357 nan 8.250 nan 0.000 0.448 231 R N -0.071 120.306 120.500 -0.205 0.000 2.092 231 R HA -0.046 4.295 4.340 0.001 0.000 0.231 231 R C 2.116 178.256 176.300 -0.266 0.000 1.119 231 R CA 1.140 57.123 56.100 -0.196 0.000 0.970 231 R CB -0.143 30.055 30.300 -0.171 0.000 0.864 231 R HN 0.073 nan 8.270 nan 0.000 0.440 232 K N 0.450 120.609 120.400 -0.400 0.000 2.063 232 K HA -0.135 4.186 4.320 0.001 0.000 0.208 232 K C 2.143 178.443 176.600 -0.500 0.000 1.048 232 K CA 1.279 57.181 56.287 -0.640 0.000 0.928 232 K CB -0.534 31.256 32.500 -1.183 0.000 0.713 232 K HN 0.256 nan 8.250 nan 0.000 0.442 233 C N 1.129 120.232 119.300 -0.328 0.000 2.446 233 C HA -0.060 4.401 4.460 0.001 0.000 0.277 233 C C 2.525 177.454 174.990 -0.102 0.000 1.275 233 C CA 0.593 59.533 59.018 -0.130 0.000 1.727 233 C CB -0.741 26.962 27.740 -0.062 0.000 2.010 233 C HN 0.540 nan 8.230 nan 0.000 0.486 234 E N 1.440 121.567 120.200 -0.120 0.000 2.110 234 E HA -0.150 4.201 4.350 0.001 0.000 0.193 234 E C 2.339 178.886 176.600 -0.088 0.000 0.988 234 E CA 1.293 57.639 56.400 -0.089 0.000 0.804 234 E CB -0.312 29.335 29.700 -0.089 0.000 0.745 234 E HN 0.676 nan 8.360 nan 0.000 0.458 235 A N 1.504 124.252 122.820 -0.120 0.000 1.978 235 A HA -0.161 4.160 4.320 0.001 0.000 0.220 235 A C 1.874 179.412 177.584 -0.075 0.000 1.170 235 A CA 1.207 53.180 52.037 -0.106 0.000 0.636 235 A CB -0.245 18.669 19.000 -0.144 0.000 0.810 235 A HN 0.085 nan 8.150 nan 0.000 0.448 236 R N -1.519 118.941 120.500 -0.068 0.000 2.468 236 R HA 0.306 4.647 4.340 0.001 0.000 0.280 236 R C 0.975 177.267 176.300 -0.012 0.000 0.963 236 R CA 0.375 56.461 56.100 -0.024 0.000 1.083 236 R CB 0.085 30.395 30.300 0.017 0.000 1.200 236 R HN 0.554 nan 8.270 nan 0.000 0.541 237 G N 1.889 110.674 108.800 -0.025 0.000 2.249 237 G HA2 -0.319 3.642 3.960 0.001 0.000 0.273 237 G HA3 -0.319 3.642 3.960 0.001 0.000 0.273 237 G C 0.110 175.006 174.900 -0.007 0.000 1.036 237 G CA 0.491 45.580 45.100 -0.018 0.000 0.824 237 G HN 0.216 nan 8.290 nan 0.000 0.504 238 M N -0.509 119.093 119.600 0.004 0.000 2.444 238 M HA 0.595 5.075 4.480 0.001 0.000 0.319 238 M C 0.769 177.079 176.300 0.016 0.000 1.183 238 M CA -0.669 54.648 55.300 0.028 0.000 1.032 238 M CB 1.329 33.981 32.600 0.086 0.000 1.569 238 M HN -0.057 nan 8.290 nan 0.000 0.468 239 L N 2.001 123.237 121.223 0.022 0.000 2.360 239 L HA 0.505 4.845 4.340 0.001 0.000 0.271 239 L C -0.794 176.096 176.870 0.033 0.000 1.057 239 L CA -0.945 53.898 54.840 0.006 0.000 0.803 239 L CB 1.483 43.534 42.059 -0.012 0.000 1.207 239 L HN 0.517 nan 8.230 nan 0.000 0.445 240 L N 3.972 125.200 121.223 0.009 0.000 2.294 240 L HA 0.475 4.815 4.340 0.001 0.000 0.283 240 L C -0.527 176.351 176.870 0.014 0.000 1.015 240 L CA 0.141 54.995 54.840 0.023 0.000 0.831 240 L CB 0.808 42.852 42.059 -0.025 0.000 1.217 240 L HN 0.328 nan 8.230 nan 0.000 0.420 241 I N 6.475 127.067 120.570 0.037 0.000 2.307 241 I HA 0.266 4.437 4.170 0.001 0.000 0.289 241 I C -0.552 175.587 176.117 0.037 0.000 1.021 241 I CA -0.384 60.919 61.300 0.004 0.000 1.224 241 I CB 1.050 39.031 38.000 -0.031 0.000 1.376 241 I HN 0.471 nan 8.210 nan 0.000 0.470 242 L N 6.012 127.254 121.223 0.031 0.000 2.257 242 L HA 0.266 4.607 4.340 0.001 0.000 0.290 242 L C 0.110 177.031 176.870 0.084 0.000 1.044 242 L CA -0.365 54.521 54.840 0.076 0.000 0.810 242 L CB 0.931 43.028 42.059 0.063 0.000 1.193 242 L HN 0.520 nan 8.230 nan 0.000 0.425 243 D N 4.601 125.093 120.400 0.154 0.000 2.422 243 D HA 0.040 4.680 4.640 0.001 0.000 0.227 243 D C 0.013 176.419 176.300 0.176 0.000 1.190 243 D CA 0.010 54.120 54.000 0.183 0.000 0.905 243 D CB 0.628 41.632 40.800 0.341 0.000 1.034 243 D HN 0.489 nan 8.370 nan 0.000 0.507 244 E N 2.486 122.769 120.200 0.139 0.000 2.434 244 E HA 0.193 4.544 4.350 0.001 0.000 0.243 244 E C 0.871 177.557 176.600 0.144 0.000 1.250 244 E CA -0.387 56.105 56.400 0.154 0.000 1.568 244 E CB 0.827 30.644 29.700 0.194 0.000 1.435 244 E HN 0.485 nan 8.360 nan 0.000 0.432 245 A N 0.582 123.484 122.820 0.136 0.000 2.015 245 A HA -0.175 4.146 4.320 0.001 0.000 0.219 245 A C 1.953 179.594 177.584 0.095 0.000 1.163 245 A CA 1.220 53.328 52.037 0.118 0.000 0.646 245 A CB 0.153 19.235 19.000 0.136 0.000 0.806 245 A HN 0.256 nan 8.150 nan 0.000 0.448 246 Q N -1.942 117.912 119.800 0.089 0.000 2.369 246 Q HA -0.006 4.334 4.340 0.001 0.000 0.254 246 Q C 1.926 177.953 176.000 0.045 0.000 0.858 246 Q CA 0.969 56.804 55.803 0.054 0.000 0.961 246 Q CB 0.429 29.191 28.738 0.041 0.000 1.119 246 Q HN 0.778 nan 8.270 nan 0.000 0.538 247 T N -2.131 112.466 114.554 0.072 0.000 3.054 247 T HA 0.132 4.482 4.350 0.001 0.000 0.259 247 T C 1.088 175.833 174.700 0.076 0.000 1.092 247 T CA 0.348 62.487 62.100 0.065 0.000 1.121 247 T CB -0.016 68.905 68.868 0.088 0.000 0.912 247 T HN 0.134 nan 8.240 nan 0.000 0.489 248 G N 0.893 109.769 108.800 0.127 0.000 2.606 248 G HA2 0.421 4.382 3.960 0.001 0.000 0.252 248 G HA3 0.421 4.382 3.960 0.001 0.000 0.252 248 G C 0.103 175.001 174.900 -0.003 0.000 1.206 248 G CA -0.072 45.139 45.100 0.185 0.000 0.861 248 G HN 0.857 nan 8.290 nan 0.000 0.561 249 V N 0.043 119.822 119.914 -0.225 0.000 6.110 249 V HA -0.204 3.917 4.120 0.001 0.000 0.322 249 V C 1.805 177.758 176.094 -0.235 0.000 0.518 249 V CA 1.401 63.526 62.300 -0.291 0.000 0.655 249 V CB -1.981 29.783 31.823 -0.098 0.000 0.283 249 V HN 2.744 nan 8.190 nan 0.000 0.990 250 G N 0.687 109.315 108.800 -0.287 0.000 2.187 250 G HA2 -0.446 3.515 3.960 0.001 0.000 0.261 250 G HA3 -0.446 3.515 3.960 0.001 0.000 0.261 250 G C 0.850 175.684 174.900 -0.110 0.000 1.000 250 G CA 1.432 46.423 45.100 -0.181 0.000 0.718 250 G HN 1.112 nan 8.290 nan 0.000 0.519 251 R N 0.181 120.629 120.500 -0.087 0.000 2.115 251 R HA -0.022 4.318 4.340 0.001 0.000 0.230 251 R C 2.513 178.780 176.300 -0.055 0.000 1.111 251 R CA 2.248 58.309 56.100 -0.065 0.000 0.976 251 R CB -0.409 29.863 30.300 -0.047 0.000 0.870 251 R HN 0.542 nan 8.270 nan 0.000 0.445 252 T N -3.636 110.891 114.554 -0.044 0.000 3.144 252 T HA 0.324 4.674 4.350 0.001 0.000 0.249 252 T C 1.156 175.836 174.700 -0.033 0.000 1.089 252 T CA 0.124 62.206 62.100 -0.030 0.000 0.989 252 T CB 0.880 69.744 68.868 -0.007 0.000 0.992 252 T HN 0.424 nan 8.240 nan 0.000 0.540 253 G N 1.204 109.975 108.800 -0.048 0.000 2.179 253 G HA2 -0.142 3.819 3.960 0.001 0.000 0.220 253 G HA3 -0.142 3.819 3.960 0.001 0.000 0.220 253 G C 0.177 175.048 174.900 -0.048 0.000 0.990 253 G CA 0.036 45.109 45.100 -0.044 0.000 0.646 253 G HN 1.265 nan 8.290 nan 0.000 0.517 254 T N -3.687 110.830 114.554 -0.062 0.000 2.916 254 T HA 0.596 4.947 4.350 0.001 0.000 0.305 254 T C 1.016 175.619 174.700 -0.162 0.000 1.119 254 T CA 0.238 62.295 62.100 -0.071 0.000 1.008 254 T CB 1.783 70.640 68.868 -0.019 0.000 1.129 254 T HN 0.449 nan 8.240 nan 0.000 0.480 255 M N 0.951 120.405 119.600 -0.244 0.000 2.143 255 M HA 0.199 4.679 4.480 0.001 0.000 0.258 255 M C -0.817 174.891 176.300 -0.987 0.000 1.071 255 M CA 1.582 56.536 55.300 -0.577 0.000 1.088 255 M CB -0.822 31.440 32.600 -0.564 0.000 1.360 255 M HN 0.671 nan 8.290 nan 0.000 0.404 256 F N -1.974 117.979 119.950 0.005 0.000 2.573 256 F HA 0.540 5.068 4.527 0.001 0.000 0.316 256 F C 0.836 176.645 175.800 0.016 0.000 1.148 256 F CA -0.870 57.136 58.000 0.011 0.000 0.940 256 F CB 0.473 39.479 39.000 0.011 0.000 1.214 256 F HN -0.061 nan 8.300 nan 0.000 0.448 257 A N 1.299 124.228 122.820 0.182 0.000 1.917 257 A HA -0.251 4.070 4.320 0.001 0.000 0.219 257 A C 2.243 179.901 177.584 0.124 0.000 1.182 257 A CA 2.238 54.346 52.037 0.118 0.000 0.633 257 A CB -1.359 17.704 19.000 0.105 0.000 0.819 257 A HN 1.065 nan 8.150 nan 0.000 0.448 258 C N -1.126 118.262 119.300 0.148 0.000 2.401 258 C HA -0.147 4.314 4.460 0.001 0.000 0.286 258 C C 2.398 177.444 174.990 0.094 0.000 1.332 258 C CA 1.148 60.228 59.018 0.105 0.000 1.795 258 C CB -1.869 25.916 27.740 0.076 0.000 1.922 258 C HN 0.659 nan 8.230 nan 0.000 0.520 259 Q N 0.505 120.379 119.800 0.124 0.000 2.172 259 Q HA -0.119 4.222 4.340 0.001 0.000 0.200 259 Q C 2.465 178.504 176.000 0.066 0.000 0.964 259 Q CA 1.375 57.237 55.803 0.098 0.000 0.855 259 Q CB -0.226 28.585 28.738 0.122 0.000 0.918 259 Q HN 0.682 nan 8.270 nan 0.000 0.444 260 R N 1.617 122.155 120.500 0.064 0.000 2.082 260 R HA -0.177 4.164 4.340 0.001 0.000 0.234 260 R C 1.035 177.363 176.300 0.046 0.000 1.136 260 R CA 2.296 58.424 56.100 0.047 0.000 0.935 260 R CB -0.426 29.901 30.300 0.045 0.000 0.842 260 R HN 0.209 nan 8.270 nan 0.000 0.430 261 D N -1.181 119.252 120.400 0.054 0.000 2.350 261 D HA 0.088 4.729 4.640 0.001 0.000 0.216 261 D C 0.993 177.316 176.300 0.039 0.000 0.968 261 D CA 1.362 55.392 54.000 0.050 0.000 0.894 261 D CB 0.005 40.842 40.800 0.061 0.000 0.909 261 D HN 0.574 nan 8.370 nan 0.000 0.520 262 G N -0.154 108.669 108.800 0.039 0.000 2.155 262 G HA2 -0.288 3.673 3.960 0.001 0.000 0.257 262 G HA3 -0.288 3.673 3.960 0.001 0.000 0.257 262 G C 0.209 175.121 174.900 0.020 0.000 0.983 262 G CA 0.266 45.383 45.100 0.029 0.000 0.676 262 G HN 0.321 nan 8.290 nan 0.000 0.528 263 V N 2.009 121.937 119.914 0.023 0.000 2.304 263 V HA 0.556 4.677 4.120 0.001 0.000 0.269 263 V C 0.916 177.013 176.094 0.005 0.000 1.036 263 V CA 0.124 62.428 62.300 0.007 0.000 0.840 263 V CB 1.047 32.873 31.823 0.005 0.000 1.036 263 V HN 0.643 nan 8.190 nan 0.000 0.466 264 T N 6.185 120.734 114.554 -0.007 0.000 2.832 264 T HA 0.454 4.805 4.350 0.001 0.000 0.296 264 T C -1.727 172.954 174.700 -0.032 0.000 0.968 264 T CA -1.252 60.836 62.100 -0.020 0.000 1.107 264 T CB 1.488 70.339 68.868 -0.027 0.000 0.916 264 T HN 0.524 nan 8.240 nan 0.000 0.517 265 P HA 0.383 nan 4.420 nan 0.000 0.279 265 P C 0.046 177.315 177.300 -0.053 0.000 1.276 265 P CA -0.439 62.637 63.100 -0.040 0.000 0.801 265 P CB 1.037 32.719 31.700 -0.030 0.000 1.127 266 D N -0.581 119.789 120.400 -0.049 0.000 2.194 266 D HA 0.101 4.741 4.640 0.001 0.000 0.204 266 D C 0.702 176.958 176.300 -0.072 0.000 0.964 266 D CA 1.368 55.334 54.000 -0.057 0.000 0.846 266 D CB 0.322 41.093 40.800 -0.049 0.000 0.962 266 D HN 0.337 nan 8.370 nan 0.000 0.490 267 I N 0.602 121.129 120.570 -0.071 0.000 2.686 267 I HA 0.262 4.432 4.170 0.001 0.000 0.295 267 I C -1.277 174.791 176.117 -0.082 0.000 1.114 267 I CA -1.038 60.209 61.300 -0.088 0.000 1.038 267 I CB 3.039 40.983 38.000 -0.094 0.000 1.238 267 I HN -0.240 nan 8.210 nan 0.000 0.420 268 L N 5.554 126.714 121.223 -0.105 0.000 2.356 268 L HA 0.692 5.032 4.340 0.001 0.000 0.277 268 L C -0.225 176.589 176.870 -0.093 0.000 0.996 268 L CA 0.151 54.926 54.840 -0.109 0.000 0.822 268 L CB 1.955 43.895 42.059 -0.198 0.000 1.256 268 L HN 0.728 nan 8.230 nan 0.000 0.413 269 T N 3.339 117.867 114.554 -0.044 0.000 2.823 269 T HA 0.792 5.143 4.350 0.001 0.000 0.279 269 T C -0.471 174.241 174.700 0.021 0.000 0.998 269 T CA -0.620 61.467 62.100 -0.022 0.000 0.994 269 T CB 1.058 69.921 68.868 -0.008 0.000 0.960 269 T HN 0.550 nan 8.240 nan 0.000 0.448 270 L N 2.483 123.723 121.223 0.027 0.000 2.350 270 L HA 0.776 5.116 4.340 0.001 0.000 0.260 270 L C 0.539 177.448 176.870 0.064 0.000 1.015 270 L CA -0.750 54.133 54.840 0.070 0.000 0.821 270 L CB 2.497 44.611 42.059 0.091 0.000 1.370 270 L HN 1.068 nan 8.230 nan 0.000 0.416 271 S N -0.872 114.874 115.700 0.076 0.000 6.205 271 S HA 0.144 4.614 4.470 0.001 0.000 0.117 271 S C 0.994 175.630 174.600 0.060 0.000 1.381 271 S CA -0.535 57.705 58.200 0.065 0.000 1.069 271 S CB 0.132 63.376 63.200 0.074 0.000 1.846 271 S HN 0.419 nan 8.310 nan 0.000 0.610 272 K N 1.454 121.893 120.400 0.066 0.000 2.007 272 K HA -0.259 4.062 4.320 0.001 0.000 0.231 272 K C 2.379 178.997 176.600 0.031 0.000 1.044 272 K CA 2.880 59.197 56.287 0.051 0.000 0.996 272 K CB -1.330 31.202 32.500 0.054 0.000 0.738 272 K HN 0.825 nan 8.250 nan 0.000 0.447 273 T N -0.146 114.426 114.554 0.030 0.000 3.007 273 T HA -0.079 4.272 4.350 0.001 0.000 0.270 273 T C 1.792 176.498 174.700 0.009 0.000 1.107 273 T CA 0.893 62.998 62.100 0.009 0.000 1.118 273 T CB -0.061 68.809 68.868 0.004 0.000 0.889 273 T HN 0.124 nan 8.240 nan 0.000 0.506 274 L N 1.745 122.987 121.223 0.032 0.000 2.179 274 L HA 0.416 4.756 4.340 0.001 0.000 0.208 274 L C 2.460 179.337 176.870 0.012 0.000 1.096 274 L CA 1.709 56.568 54.840 0.032 0.000 0.779 274 L CB -0.984 41.108 42.059 0.056 0.000 0.922 274 L HN 0.359 nan 8.230 nan 0.000 0.443 275 G N -1.848 106.960 108.800 0.013 0.000 2.712 275 G HA2 0.171 4.132 3.960 0.001 0.000 0.212 275 G HA3 0.171 4.132 3.960 0.001 0.000 0.212 275 G C 1.142 176.040 174.900 -0.003 0.000 1.142 275 G CA 0.463 45.566 45.100 0.006 0.000 0.789 275 G HN 0.796 nan 8.290 nan 0.000 0.535 276 A N -1.570 121.244 122.820 -0.010 0.000 2.869 276 A HA 0.087 4.408 4.320 0.001 0.000 0.272 276 A C 1.952 179.529 177.584 -0.013 0.000 1.332 276 A CA 2.275 54.298 52.037 -0.025 0.000 0.939 276 A CB -1.450 17.526 19.000 -0.040 0.000 1.018 276 A HN 2.156 nan 8.150 nan 0.000 0.696 277 G N -3.868 104.935 108.800 0.006 0.000 2.813 277 G HA2 0.155 4.115 3.960 0.001 0.000 0.194 277 G HA3 0.155 4.115 3.960 0.001 0.000 0.194 277 G C -0.151 174.768 174.900 0.032 0.000 1.010 277 G CA 0.084 45.200 45.100 0.026 0.000 0.771 277 G HN 0.977 nan 8.290 nan 0.000 0.485 278 L N 1.777 123.012 121.223 0.020 0.000 2.416 278 L HA 0.539 4.879 4.340 0.001 0.000 0.262 278 L C -1.873 175.002 176.870 0.007 0.000 1.093 278 L CA -2.112 52.736 54.840 0.013 0.000 0.801 278 L CB 0.160 42.223 42.059 0.006 0.000 1.191 278 L HN -0.003 nan 8.230 nan 0.000 0.459 279 P HA 0.284 nan 4.420 nan 0.000 0.256 279 P C -0.909 176.389 177.300 -0.003 0.000 1.689 279 P CA -0.227 62.870 63.100 -0.004 0.000 1.124 279 P CB 0.747 32.432 31.700 -0.025 0.000 1.766 280 L N 2.779 124.009 121.223 0.011 0.000 2.436 280 L HA 0.848 5.189 4.340 0.001 0.000 0.268 280 L C -1.329 175.558 176.870 0.028 0.000 0.974 280 L CA -0.694 54.154 54.840 0.014 0.000 0.826 280 L CB 2.184 44.245 42.059 0.003 0.000 1.291 280 L HN 0.371 nan 8.230 nan 0.000 0.406 281 A N 3.322 126.162 122.820 0.033 0.000 2.583 281 A HA 1.087 5.408 4.320 0.001 0.000 0.289 281 A C -1.399 176.199 177.584 0.023 0.000 1.151 281 A CA -0.067 51.991 52.037 0.036 0.000 0.695 281 A CB 1.616 20.644 19.000 0.047 0.000 1.290 281 A HN 1.855 nan 8.150 nan 0.000 0.419 282 A N -0.629 122.198 122.820 0.011 0.000 2.567 282 A HA 0.690 5.011 4.320 0.001 0.000 0.291 282 A C -1.154 176.408 177.584 -0.037 0.000 1.048 282 A CA 0.208 52.239 52.037 -0.011 0.000 0.661 282 A CB 0.239 19.235 19.000 -0.007 0.000 1.288 282 A HN 2.302 nan 8.150 nan 0.000 0.424 283 I N -1.644 118.889 120.570 -0.062 0.000 2.892 283 I HA 0.946 5.116 4.170 0.001 0.000 0.306 283 I C -1.305 174.757 176.117 -0.092 0.000 1.078 283 I CA -1.262 59.985 61.300 -0.087 0.000 1.032 283 I CB 2.313 40.243 38.000 -0.118 0.000 1.229 283 I HN 0.422 nan 8.210 nan 0.000 0.435 284 V N 2.700 122.546 119.914 -0.112 0.000 2.686 284 V HA 0.676 4.797 4.120 0.001 0.000 0.306 284 V C -0.224 175.798 176.094 -0.119 0.000 1.065 284 V CA -0.231 61.999 62.300 -0.116 0.000 0.894 284 V CB 1.598 33.332 31.823 -0.148 0.000 1.004 284 V HN 1.006 nan 8.190 nan 0.000 0.424 285 T N 1.665 116.154 114.554 -0.108 0.000 2.804 285 T HA 0.605 4.955 4.350 0.001 0.000 0.290 285 T C 0.033 174.680 174.700 -0.088 0.000 1.099 285 T CA 0.208 62.245 62.100 -0.106 0.000 1.011 285 T CB 2.004 70.797 68.868 -0.124 0.000 1.291 285 T HN 1.071 nan 8.240 nan 0.000 0.523 286 S N 0.759 116.411 115.700 -0.079 0.000 2.600 286 S HA 0.539 5.009 4.470 0.001 0.000 0.265 286 S C 1.592 176.157 174.600 -0.058 0.000 1.325 286 S CA -0.046 58.116 58.200 -0.063 0.000 1.002 286 S CB 0.683 63.851 63.200 -0.055 0.000 0.921 286 S HN 1.019 nan 8.310 nan 0.000 0.554 287 A N 1.217 124.010 122.820 -0.046 0.000 2.066 287 A HA 0.290 4.610 4.320 0.001 0.000 0.218 287 A C 2.250 179.815 177.584 -0.032 0.000 1.157 287 A CA 1.263 53.277 52.037 -0.039 0.000 0.670 287 A CB -1.425 17.556 19.000 -0.031 0.000 0.804 287 A HN 1.230 nan 8.150 nan 0.000 0.453 288 A N 0.223 123.024 122.820 -0.033 0.000 1.872 288 A HA -0.000 4.320 4.320 0.001 0.000 0.214 288 A C 2.068 179.633 177.584 -0.031 0.000 1.187 288 A CA 1.386 53.407 52.037 -0.026 0.000 0.614 288 A CB -0.517 18.467 19.000 -0.026 0.000 0.826 288 A HN 0.458 nan 8.150 nan 0.000 0.442 289 I N -0.613 119.928 120.570 -0.048 0.000 2.252 289 I HA -0.190 3.981 4.170 0.001 0.000 0.245 289 I C 2.624 178.695 176.117 -0.076 0.000 1.102 289 I CA 1.441 62.702 61.300 -0.065 0.000 1.385 289 I CB -0.299 37.649 38.000 -0.087 0.000 1.064 289 I HN 0.384 nan 8.210 nan 0.000 0.414 290 E N 1.287 121.441 120.200 -0.076 0.000 2.051 290 E HA -0.283 4.067 4.350 0.001 0.000 0.192 290 E C 1.966 178.565 176.600 -0.002 0.000 0.991 290 E CA 1.605 57.962 56.400 -0.072 0.000 0.799 290 E CB 0.013 29.672 29.700 -0.068 0.000 0.748 290 E HN 0.350 nan 8.360 nan 0.000 0.449 291 E N 0.631 120.835 120.200 0.006 0.000 2.085 291 E HA -0.199 4.151 4.350 0.001 0.000 0.194 291 E C 2.117 178.769 176.600 0.086 0.000 0.994 291 E CA 1.514 57.946 56.400 0.053 0.000 0.801 291 E CB -0.196 29.520 29.700 0.027 0.000 0.743 291 E HN 0.003 nan 8.360 nan 0.000 0.453 292 R N 0.331 120.852 120.500 0.035 0.000 2.061 292 R HA 0.088 4.429 4.340 0.001 0.000 0.230 292 R C 2.174 178.495 176.300 0.036 0.000 1.140 292 R CA 1.949 58.064 56.100 0.026 0.000 0.940 292 R CB -1.198 29.101 30.300 -0.002 0.000 0.839 292 R HN 0.180 nan 8.270 nan 0.000 0.429 293 A N -0.194 122.631 122.820 0.007 0.000 1.958 293 A HA -0.277 4.043 4.320 0.001 0.000 0.221 293 A C 2.149 179.813 177.584 0.134 0.000 1.178 293 A CA 2.205 54.248 52.037 0.011 0.000 0.642 293 A CB -1.037 17.852 19.000 -0.186 0.000 0.816 293 A HN 0.690 nan 8.150 nan 0.000 0.453 294 H N -0.123 118.975 119.070 0.046 0.000 2.321 294 H HA -0.081 4.475 4.556 0.001 0.000 0.300 294 H C 1.918 177.285 175.328 0.065 0.000 1.087 294 H CA 2.076 58.172 56.048 0.079 0.000 1.319 294 H CB -0.269 29.524 29.762 0.051 0.000 1.379 294 H HN 0.625 nan 8.280 nan 0.000 0.501 295 E N -0.324 119.848 120.200 -0.047 0.000 2.118 295 E HA -0.132 4.218 4.350 0.001 0.000 0.195 295 E C 1.399 177.953 176.600 -0.077 0.000 0.992 295 E CA 0.873 57.213 56.400 -0.100 0.000 0.804 295 E CB 0.062 29.753 29.700 -0.014 0.000 0.741 295 E HN 0.350 nan 8.360 nan 0.000 0.458 296 L N -0.267 120.947 121.223 -0.015 0.000 2.599 296 L HA 0.108 4.448 4.340 0.001 0.000 0.230 296 L C 1.205 178.088 176.870 0.022 0.000 1.141 296 L CA 0.976 55.823 54.840 0.012 0.000 0.877 296 L CB -1.142 40.943 42.059 0.043 0.000 1.009 296 L HN 0.220 nan 8.230 nan 0.000 0.447 297 G N -0.194 108.599 108.800 -0.012 0.000 2.272 297 G HA2 -0.368 3.592 3.960 0.001 0.000 0.280 297 G HA3 -0.368 3.592 3.960 0.001 0.000 0.280 297 G C 0.164 175.127 174.900 0.105 0.000 1.067 297 G CA 0.167 45.269 45.100 0.003 0.000 0.902 297 G HN 0.399 nan 8.290 nan 0.000 0.500 298 Y N -0.748 119.577 120.300 0.042 0.000 2.805 298 Y HA 0.350 4.901 4.550 0.001 0.000 0.337 298 Y C 0.284 176.249 175.900 0.109 0.000 1.252 298 Y CA 0.412 58.561 58.100 0.081 0.000 1.515 298 Y CB 0.466 38.982 38.460 0.093 0.000 1.305 298 Y HN 0.695 nan 8.280 nan 0.000 0.600 299 L N 7.818 128.741 121.223 -0.501 0.000 2.438 299 L HA 0.494 4.834 4.340 0.001 0.000 0.270 299 L C -2.096 174.502 176.870 -0.453 0.000 0.972 299 L CA -0.516 54.099 54.840 -0.373 0.000 0.831 299 L CB 1.334 43.300 42.059 -0.155 0.000 1.273 299 L HN 0.641 nan 8.230 nan 0.000 0.405 300 F N 5.408 125.091 119.950 -0.444 0.000 2.946 300 F HA 0.337 4.865 4.527 0.001 0.000 0.375 300 F C -1.624 174.122 175.800 -0.090 0.000 1.320 300 F CA -0.347 57.494 58.000 -0.265 0.000 1.181 300 F CB 0.502 39.344 39.000 -0.262 0.000 2.051 300 F HN 0.467 nan 8.300 nan 0.000 0.622 301 Y N 3.058 123.187 120.300 -0.285 0.000 2.477 301 Y HA 0.438 4.989 4.550 0.001 0.000 0.349 301 Y C 0.593 176.347 175.900 -0.244 0.000 0.977 301 Y CA -0.115 57.861 58.100 -0.207 0.000 1.214 301 Y CB 0.527 38.880 38.460 -0.180 0.000 1.124 301 Y HN 0.460 nan 8.280 nan 0.000 0.521 302 T N -0.322 114.040 114.554 -0.319 0.000 2.940 302 T HA 0.270 4.620 4.350 0.001 0.000 0.288 302 T C 1.004 175.535 174.700 -0.281 0.000 1.045 302 T CA -0.503 61.462 62.100 -0.226 0.000 1.018 302 T CB 1.595 70.394 68.868 -0.115 0.000 1.151 302 T HN 0.460 nan 8.240 nan 0.000 0.529 303 T N 0.609 115.018 114.554 -0.241 0.000 2.708 303 T HA -0.100 4.250 4.350 0.001 0.000 0.266 303 T C 1.235 175.745 174.700 -0.316 0.000 1.037 303 T CA 1.370 63.275 62.100 -0.324 0.000 1.146 303 T CB -0.430 68.087 68.868 -0.585 0.000 0.865 303 T HN 0.710 nan 8.240 nan 0.000 0.435 304 H N -0.233 118.856 119.070 0.033 0.000 2.551 304 H HA 0.403 4.960 4.556 0.001 0.000 0.271 304 H C 0.714 176.026 175.328 -0.026 0.000 0.984 304 H CA -0.411 55.666 56.048 0.048 0.000 1.164 304 H CB -0.534 29.265 29.762 0.062 0.000 1.437 304 H HN 0.172 nan 8.280 nan 0.000 0.550 305 V N 1.819 121.716 119.914 -0.028 0.000 2.673 305 V HA -0.062 4.058 4.120 0.001 0.000 0.303 305 V C 0.410 176.444 176.094 -0.099 0.000 1.046 305 V CA 0.470 62.736 62.300 -0.056 0.000 1.126 305 V CB 0.461 32.210 31.823 -0.124 0.000 0.934 305 V HN 0.640 nan 8.190 nan 0.000 0.487 306 S N 3.590 119.255 115.700 -0.059 0.000 3.631 306 S HA -0.176 4.295 4.470 0.001 0.000 0.366 306 S C -0.303 174.256 174.600 -0.068 0.000 0.993 306 S CA 1.015 59.173 58.200 -0.069 0.000 1.167 306 S CB -1.125 62.014 63.200 -0.101 0.000 0.909 306 S HN 0.970 nan 8.310 nan 0.000 0.478 307 D N 0.320 120.706 120.400 -0.024 0.000 2.280 307 D HA 0.418 5.059 4.640 0.001 0.000 0.236 307 D C -1.023 175.275 176.300 -0.004 0.000 1.082 307 D CA -2.113 51.889 54.000 0.004 0.000 0.834 307 D CB 1.235 42.105 40.800 0.116 0.000 1.100 307 D HN -0.005 nan 8.370 nan 0.000 0.486 308 P HA -0.218 nan 4.420 nan 0.000 0.216 308 P C 1.700 178.951 177.300 -0.082 0.000 1.167 308 P CA 0.899 63.990 63.100 -0.014 0.000 0.914 308 P CB 0.381 32.133 31.700 0.086 0.000 0.793 309 L N -1.190 120.040 121.223 0.011 0.000 1.955 309 L HA -0.141 4.200 4.340 0.001 0.000 0.213 309 L C -0.520 176.311 176.870 -0.065 0.000 1.072 309 L CA 2.700 57.540 54.840 0.001 0.000 0.755 309 L CB -1.798 40.305 42.059 0.072 0.000 0.888 309 L HN 0.055 nan 8.230 nan 0.000 0.432 310 P HA -0.182 nan 4.420 nan 0.000 0.215 310 P C 1.379 178.638 177.300 -0.069 0.000 1.157 310 P CA 1.897 64.973 63.100 -0.041 0.000 0.868 310 P CB -0.103 31.585 31.700 -0.021 0.000 0.788 311 A N 0.025 122.795 122.820 -0.084 0.000 1.908 311 A HA -0.196 4.125 4.320 0.001 0.000 0.218 311 A C 2.341 179.830 177.584 -0.157 0.000 1.181 311 A CA 2.380 54.357 52.037 -0.100 0.000 0.627 311 A CB -1.686 17.256 19.000 -0.097 0.000 0.818 311 A HN 0.205 nan 8.150 nan 0.000 0.445 312 A N -0.738 121.915 122.820 -0.280 0.000 1.902 312 A HA -0.005 4.315 4.320 0.001 0.000 0.217 312 A C 2.239 179.704 177.584 -0.199 0.000 1.181 312 A CA 1.834 53.627 52.037 -0.406 0.000 0.623 312 A CB -0.916 17.496 19.000 -0.981 0.000 0.818 312 A HN 0.417 nan 8.150 nan 0.000 0.443 313 V N -0.131 119.706 119.914 -0.127 0.000 2.358 313 V HA -0.153 3.967 4.120 0.001 0.000 0.246 313 V C 2.805 178.868 176.094 -0.053 0.000 1.047 313 V CA 1.860 64.126 62.300 -0.057 0.000 1.035 313 V CB -1.396 30.411 31.823 -0.027 0.000 0.658 313 V HN 0.615 nan 8.190 nan 0.000 0.452 314 G N -0.062 108.705 108.800 -0.055 0.000 2.421 314 G HA2 -0.260 3.700 3.960 0.001 0.000 0.216 314 G HA3 -0.260 3.700 3.960 0.001 0.000 0.216 314 G C 1.564 176.442 174.900 -0.038 0.000 1.171 314 G CA 1.102 46.180 45.100 -0.037 0.000 0.775 314 G HN 0.441 nan 8.290 nan 0.000 0.543 315 L N 0.658 121.849 121.223 -0.052 0.000 2.191 315 L HA 0.104 4.445 4.340 0.001 0.000 0.212 315 L C 2.626 179.475 176.870 -0.035 0.000 1.103 315 L CA 1.862 56.677 54.840 -0.041 0.000 0.769 315 L CB -0.470 41.556 42.059 -0.055 0.000 0.908 315 L HN 0.233 nan 8.230 nan 0.000 0.438 316 R N -0.957 119.518 120.500 -0.042 0.000 2.073 316 R HA -0.051 4.290 4.340 0.001 0.000 0.229 316 R C 2.039 178.303 176.300 -0.059 0.000 1.120 316 R CA 1.933 58.011 56.100 -0.035 0.000 0.967 316 R CB -0.959 29.328 30.300 -0.023 0.000 0.862 316 R HN 0.236 nan 8.270 nan 0.000 0.436 317 V N 1.158 121.033 119.914 -0.065 0.000 2.392 317 V HA -0.237 3.883 4.120 0.001 0.000 0.249 317 V C 2.284 178.334 176.094 -0.073 0.000 1.059 317 V CA 1.890 64.139 62.300 -0.085 0.000 1.051 317 V CB -0.480 31.305 31.823 -0.064 0.000 0.658 317 V HN 0.306 nan 8.190 nan 0.000 0.455 318 L N -0.728 120.467 121.223 -0.047 0.000 2.109 318 L HA -0.102 4.239 4.340 0.001 0.000 0.207 318 L C 2.386 179.233 176.870 -0.038 0.000 1.086 318 L CA 1.206 56.023 54.840 -0.038 0.000 0.760 318 L CB -0.733 41.319 42.059 -0.011 0.000 0.910 318 L HN 0.310 nan 8.230 nan 0.000 0.437 319 D N 0.106 120.485 120.400 -0.033 0.000 2.103 319 D HA -0.208 4.432 4.640 0.001 0.000 0.190 319 D C 2.194 178.475 176.300 -0.032 0.000 0.997 319 D CA 1.869 55.855 54.000 -0.024 0.000 0.833 319 D CB -0.292 40.500 40.800 -0.014 0.000 0.961 319 D HN 0.218 nan 8.370 nan 0.000 0.447 320 V N 0.339 120.219 119.914 -0.056 0.000 2.358 320 V HA -0.181 3.939 4.120 0.001 0.000 0.246 320 V C 2.338 178.397 176.094 -0.059 0.000 1.047 320 V CA 1.456 63.718 62.300 -0.063 0.000 1.035 320 V CB -0.495 31.242 31.823 -0.143 0.000 0.658 320 V HN 0.046 nan 8.190 nan 0.000 0.452 321 V N 0.529 120.398 119.914 -0.075 0.000 2.380 321 V HA -0.326 3.795 4.120 0.001 0.000 0.251 321 V C 2.692 178.753 176.094 -0.055 0.000 1.063 321 V CA 2.750 65.007 62.300 -0.071 0.000 1.055 321 V CB -0.806 30.965 31.823 -0.087 0.000 0.657 321 V HN 0.678 nan 8.190 nan 0.000 0.455 322 Q N -0.090 119.683 119.800 -0.046 0.000 1.984 322 Q HA -0.165 4.176 4.340 0.001 0.000 0.196 322 Q C 2.428 178.417 176.000 -0.020 0.000 0.975 322 Q CA 1.550 57.333 55.803 -0.034 0.000 0.827 322 Q CB -0.325 28.397 28.738 -0.025 0.000 0.894 322 Q HN 0.725 nan 8.270 nan 0.000 0.438 323 R N 0.611 121.104 120.500 -0.012 0.000 2.200 323 R HA -0.119 4.222 4.340 0.001 0.000 0.234 323 R C 0.161 176.462 176.300 0.003 0.000 1.127 323 R CA 1.738 57.838 56.100 -0.001 0.000 0.989 323 R CB -0.058 30.246 30.300 0.007 0.000 0.869 323 R HN 0.116 nan 8.270 nan 0.000 0.459 324 D N 0.307 120.707 120.400 -0.000 0.000 2.402 324 D HA 0.160 4.801 4.640 0.001 0.000 0.216 324 D C 0.193 176.491 176.300 -0.003 0.000 1.128 324 D CA 0.596 54.601 54.000 0.008 0.000 0.833 324 D CB 0.831 41.644 40.800 0.022 0.000 0.971 324 D HN 0.432 nan 8.370 nan 0.000 0.503 325 G N 1.548 110.340 108.800 -0.013 0.000 2.385 325 G HA2 -0.301 3.660 3.960 0.001 0.000 0.284 325 G HA3 -0.301 3.660 3.960 0.001 0.000 0.284 325 G C 0.980 175.865 174.900 -0.025 0.000 0.899 325 G CA 0.277 45.365 45.100 -0.021 0.000 1.204 325 G HN 0.424 nan 8.290 nan 0.000 0.486 326 L N -0.388 120.814 121.223 -0.034 0.000 2.240 326 L HA -0.051 4.290 4.340 0.001 0.000 0.211 326 L C 2.812 179.651 176.870 -0.051 0.000 1.106 326 L CA 0.516 55.334 54.840 -0.037 0.000 0.793 326 L CB -0.296 41.737 42.059 -0.043 0.000 0.927 326 L HN 0.355 nan 8.230 nan 0.000 0.446 327 V N 0.301 120.176 119.914 -0.064 0.000 2.594 327 V HA -0.278 3.843 4.120 0.001 0.000 0.253 327 V C 2.627 178.689 176.094 -0.053 0.000 1.069 327 V CA 1.830 64.086 62.300 -0.075 0.000 1.082 327 V CB -0.678 31.090 31.823 -0.093 0.000 0.680 327 V HN 0.490 nan 8.190 nan 0.000 0.469 328 A N 0.165 122.961 122.820 -0.040 0.000 1.903 328 A HA -0.105 4.216 4.320 0.001 0.000 0.213 328 A C 2.290 179.859 177.584 -0.025 0.000 1.185 328 A CA 1.259 53.279 52.037 -0.028 0.000 0.628 328 A CB -0.449 18.539 19.000 -0.020 0.000 0.830 328 A HN 0.433 nan 8.150 nan 0.000 0.446 329 R N 0.328 120.814 120.500 -0.024 0.000 2.139 329 R HA -0.140 4.200 4.340 0.001 0.000 0.243 329 R C 2.019 178.302 176.300 -0.028 0.000 1.145 329 R CA 1.788 57.876 56.100 -0.019 0.000 0.976 329 R CB -0.532 29.759 30.300 -0.015 0.000 0.866 329 R HN 0.428 nan 8.270 nan 0.000 0.449 330 A N 0.490 123.287 122.820 -0.039 0.000 1.902 330 A HA -0.162 4.158 4.320 0.001 0.000 0.217 330 A C 1.733 179.292 177.584 -0.043 0.000 1.181 330 A CA 1.694 53.701 52.037 -0.049 0.000 0.623 330 A CB -0.500 18.466 19.000 -0.057 0.000 0.818 330 A HN 0.461 nan 8.150 nan 0.000 0.443 331 N N -0.002 118.678 118.700 -0.034 0.000 2.207 331 N HA -0.074 4.666 4.740 0.001 0.000 0.182 331 N C 1.824 177.321 175.510 -0.022 0.000 1.020 331 N CA 1.462 54.496 53.050 -0.027 0.000 0.858 331 N CB -0.446 38.029 38.487 -0.021 0.000 0.991 331 N HN 0.259 nan 8.380 nan 0.000 0.427 332 V N 2.327 122.230 119.914 -0.018 0.000 2.220 332 V HA -0.213 3.908 4.120 0.001 0.000 0.246 332 V C 2.457 178.543 176.094 -0.013 0.000 1.049 332 V CA 1.440 63.733 62.300 -0.012 0.000 1.003 332 V CB -0.379 31.439 31.823 -0.007 0.000 0.634 332 V HN 0.255 nan 8.190 nan 0.000 0.444 333 M N 0.301 119.891 119.600 -0.018 0.000 2.296 333 M HA -0.020 4.460 4.480 0.001 0.000 0.265 333 M C 2.264 178.542 176.300 -0.036 0.000 1.064 333 M CA 1.757 57.045 55.300 -0.021 0.000 1.109 333 M CB -1.711 30.874 32.600 -0.025 0.000 1.396 333 M HN 0.477 nan 8.290 nan 0.000 0.430 334 G N -0.139 108.635 108.800 -0.044 0.000 2.422 334 G HA2 -0.232 3.729 3.960 0.001 0.000 0.218 334 G HA3 -0.232 3.729 3.960 0.001 0.000 0.218 334 G C 1.250 176.128 174.900 -0.037 0.000 1.140 334 G CA 1.102 46.170 45.100 -0.053 0.000 0.775 334 G HN 0.454 nan 8.290 nan 0.000 0.545 335 D N -0.535 119.851 120.400 -0.024 0.000 2.213 335 D HA 0.025 4.666 4.640 0.001 0.000 0.205 335 D C 2.408 178.704 176.300 -0.008 0.000 0.961 335 D CA 0.338 54.329 54.000 -0.014 0.000 0.853 335 D CB 0.015 40.810 40.800 -0.009 0.000 0.967 335 D HN 0.220 nan 8.370 nan 0.000 0.496 336 R N -0.150 120.347 120.500 -0.006 0.000 2.066 336 R HA -0.012 4.329 4.340 0.001 0.000 0.232 336 R C 2.328 178.634 176.300 0.009 0.000 1.131 336 R CA 0.796 56.899 56.100 0.005 0.000 0.955 336 R CB -0.351 29.956 30.300 0.011 0.000 0.851 336 R HN 0.234 nan 8.270 nan 0.000 0.432 337 L N 0.631 121.852 121.223 -0.003 0.000 2.046 337 L HA -0.207 4.133 4.340 0.001 0.000 0.208 337 L C 2.684 179.551 176.870 -0.006 0.000 1.077 337 L CA 1.579 56.416 54.840 -0.005 0.000 0.747 337 L CB -0.374 41.644 42.059 -0.068 0.000 0.896 337 L HN 0.303 nan 8.230 nan 0.000 0.432 338 R N -0.055 120.435 120.500 -0.017 0.000 2.070 338 R HA -0.218 4.122 4.340 0.001 0.000 0.233 338 R C 2.383 178.683 176.300 -0.000 0.000 1.137 338 R CA 1.673 57.765 56.100 -0.013 0.000 0.945 338 R CB -0.177 30.113 30.300 -0.016 0.000 0.845 338 R HN 0.289 nan 8.270 nan 0.000 0.430 339 R N -0.545 119.956 120.500 0.002 0.000 2.094 339 R HA -0.128 4.212 4.340 0.001 0.000 0.239 339 R C 2.420 178.728 176.300 0.013 0.000 1.137 339 R CA 1.682 57.786 56.100 0.007 0.000 0.943 339 R CB -0.791 29.513 30.300 0.007 0.000 0.850 339 R HN 0.463 nan 8.270 nan 0.000 0.433 340 G N 0.882 109.694 108.800 0.020 0.000 2.469 340 G HA2 -0.257 3.704 3.960 0.001 0.000 0.219 340 G HA3 -0.257 3.704 3.960 0.001 0.000 0.219 340 G C 1.404 176.326 174.900 0.036 0.000 1.150 340 G CA 0.753 45.871 45.100 0.030 0.000 0.763 340 G HN 0.158 nan 8.290 nan 0.000 0.561 341 L N -0.194 121.047 121.223 0.030 0.000 2.093 341 L HA 0.031 4.371 4.340 0.001 0.000 0.208 341 L C 2.894 179.783 176.870 0.032 0.000 1.085 341 L CA 0.473 55.331 54.840 0.030 0.000 0.755 341 L CB -0.352 41.715 42.059 0.013 0.000 0.904 341 L HN 0.190 nan 8.230 nan 0.000 0.435 342 L N -0.594 120.640 121.223 0.019 0.000 2.141 342 L HA -0.198 4.143 4.340 0.001 0.000 0.209 342 L C 2.202 179.083 176.870 0.018 0.000 1.094 342 L CA 0.914 55.764 54.840 0.016 0.000 0.763 342 L CB -0.593 41.471 42.059 0.007 0.000 0.908 342 L HN 0.309 nan 8.230 nan 0.000 0.437 343 D N 0.114 120.525 120.400 0.018 0.000 2.117 343 D HA -0.148 4.493 4.640 0.001 0.000 0.198 343 D C 2.224 178.531 176.300 0.012 0.000 0.982 343 D CA 1.124 55.128 54.000 0.007 0.000 0.828 343 D CB -0.030 40.774 40.800 0.006 0.000 0.967 343 D HN 0.151 nan 8.370 nan 0.000 0.464 344 L N 0.653 121.912 121.223 0.060 0.000 2.093 344 L HA -0.048 4.293 4.340 0.001 0.000 0.208 344 L C 2.444 179.422 176.870 0.180 0.000 1.085 344 L CA 1.025 55.956 54.840 0.151 0.000 0.755 344 L CB -0.595 41.587 42.059 0.206 0.000 0.904 344 L HN 0.051 nan 8.230 nan 0.000 0.435 345 M N -1.043 118.623 119.600 0.110 0.000 2.279 345 M HA -0.225 4.256 4.480 0.001 0.000 0.264 345 M C 2.122 178.457 176.300 0.058 0.000 1.062 345 M CA 1.531 56.890 55.300 0.098 0.000 1.099 345 M CB -0.013 32.619 32.600 0.052 0.000 1.394 345 M HN 0.303 nan 8.290 nan 0.000 0.426 346 E N -0.120 120.088 120.200 0.014 0.000 2.208 346 E HA -0.187 4.164 4.350 0.001 0.000 0.193 346 E C 2.069 178.616 176.600 -0.088 0.000 0.988 346 E CA 0.692 57.077 56.400 -0.026 0.000 0.828 346 E CB 0.144 29.826 29.700 -0.030 0.000 0.763 346 E HN 0.482 nan 8.360 nan 0.000 0.478 347 R N -0.820 119.573 120.500 -0.178 0.000 2.189 347 R HA 0.073 4.414 4.340 0.001 0.000 0.203 347 R C -0.384 175.589 176.300 -0.545 0.000 1.012 347 R CA 0.200 56.044 56.100 -0.426 0.000 1.015 347 R CB 0.376 30.271 30.300 -0.676 0.000 0.938 347 R HN -0.060 nan 8.270 nan 0.000 0.472 348 F N -0.047 119.905 119.950 0.003 0.000 2.495 348 F HA 0.206 4.733 4.527 0.001 0.000 0.327 348 F C 0.970 176.779 175.800 0.014 0.000 1.103 348 F CA -1.174 56.830 58.000 0.008 0.000 0.949 348 F CB 1.598 40.602 39.000 0.006 0.000 1.142 348 F HN -0.140 nan 8.300 nan 0.000 0.457 349 D N 1.346 121.868 120.400 0.203 0.000 2.249 349 D HA -0.124 4.516 4.640 0.001 0.000 0.205 349 D C 2.008 178.381 176.300 0.122 0.000 0.962 349 D CA 0.959 55.034 54.000 0.126 0.000 0.860 349 D CB 0.271 41.124 40.800 0.089 0.000 0.955 349 D HN 0.683 nan 8.370 nan 0.000 0.505 350 C N 0.476 119.856 119.300 0.134 0.000 2.422 350 C HA 0.150 4.611 4.460 0.001 0.000 0.286 350 C C 1.453 176.498 174.990 0.091 0.000 1.412 350 C CA -0.571 58.503 59.018 0.093 0.000 1.786 350 C CB -1.706 26.069 27.740 0.059 0.000 1.835 350 C HN 0.162 nan 8.230 nan 0.000 0.533 351 I N 2.337 122.971 120.570 0.108 0.000 2.294 351 I HA 0.273 4.444 4.170 0.001 0.000 0.295 351 I C 1.578 177.732 176.117 0.062 0.000 1.098 351 I CA 0.301 61.651 61.300 0.083 0.000 1.277 351 I CB 0.629 38.688 38.000 0.097 0.000 1.434 351 I HN 0.390 nan 8.210 nan 0.000 0.498 352 G N 4.170 112.998 108.800 0.047 0.000 2.603 352 G HA2 -0.040 3.921 3.960 0.001 0.000 0.214 352 G HA3 -0.040 3.921 3.960 0.001 0.000 0.214 352 G C 0.062 174.893 174.900 -0.116 0.000 1.140 352 G CA 0.355 45.494 45.100 0.064 0.000 0.800 352 G HN 0.576 nan 8.290 nan 0.000 0.533 353 D N -1.370 118.878 120.400 -0.253 0.000 2.769 353 D HA 0.388 5.028 4.640 0.001 0.000 0.219 353 D C -1.360 174.814 176.300 -0.210 0.000 1.245 353 D CA -0.392 53.373 54.000 -0.392 0.000 0.801 353 D CB 2.059 42.196 40.800 -1.105 0.000 1.598 353 D HN -0.108 nan 8.370 nan 0.000 0.485 354 V N 4.091 123.923 119.914 -0.136 0.000 2.444 354 V HA 0.739 4.859 4.120 0.001 0.000 0.294 354 V C 0.060 176.115 176.094 -0.064 0.000 1.022 354 V CA -0.479 61.779 62.300 -0.069 0.000 0.850 354 V CB 1.296 33.099 31.823 -0.033 0.000 0.992 354 V HN 0.655 nan 8.190 nan 0.000 0.426 355 R N 3.252 123.724 120.500 -0.047 0.000 2.870 355 R HA 0.986 5.326 4.340 0.001 0.000 0.262 355 R C 0.128 176.419 176.300 -0.015 0.000 1.112 355 R CA -0.281 55.803 56.100 -0.026 0.000 0.976 355 R CB 1.728 32.020 30.300 -0.014 0.000 1.261 355 R HN 1.201 nan 8.270 nan 0.000 0.453 356 G N -0.045 108.751 108.800 -0.006 0.000 2.342 356 G HA2 0.065 4.026 3.960 0.001 0.000 0.220 356 G HA3 0.065 4.026 3.960 0.001 0.000 0.220 356 G C -1.484 173.408 174.900 -0.012 0.000 1.243 356 G CA -0.307 44.787 45.100 -0.011 0.000 1.083 356 G HN 0.721 nan 8.290 nan 0.000 0.500 357 R N -0.978 119.510 120.500 -0.018 0.000 2.663 357 R HA 0.550 4.891 4.340 0.001 0.000 0.267 357 R C 0.954 177.236 176.300 -0.029 0.000 1.038 357 R CA 0.739 56.828 56.100 -0.018 0.000 0.886 357 R CB 1.246 31.542 30.300 -0.006 0.000 1.249 357 R HN 2.730 nan 8.270 nan 0.000 0.463 358 G N 1.894 110.676 108.800 -0.031 0.000 2.652 358 G HA2 -0.342 3.619 3.960 0.001 0.000 0.318 358 G HA3 -0.342 3.619 3.960 0.001 0.000 0.318 358 G C -0.234 174.630 174.900 -0.060 0.000 1.295 358 G CA 0.369 45.444 45.100 -0.042 0.000 0.999 358 G HN 0.392 nan 8.290 nan 0.000 0.548 359 L N 0.231 121.410 121.223 -0.072 0.000 2.805 359 L HA 0.563 4.904 4.340 0.001 0.000 0.237 359 L C 0.440 177.245 176.870 -0.110 0.000 1.252 359 L CA 0.264 55.042 54.840 -0.103 0.000 1.064 359 L CB 0.118 42.111 42.059 -0.109 0.000 1.361 359 L HN 0.529 nan 8.230 nan 0.000 0.474 360 L N 0.411 121.585 121.223 -0.082 0.000 2.529 360 L HA 0.432 4.772 4.340 0.001 0.000 0.246 360 L C -0.936 175.898 176.870 -0.060 0.000 1.394 360 L CA -0.068 54.730 54.840 -0.071 0.000 0.906 360 L CB 0.490 42.522 42.059 -0.044 0.000 1.170 360 L HN -0.178 nan 8.230 nan 0.000 0.501 361 L N 1.428 122.604 121.223 -0.078 0.000 2.416 361 L HA 0.849 5.190 4.340 0.001 0.000 0.262 361 L C 0.780 177.631 176.870 -0.031 0.000 1.093 361 L CA -0.306 54.500 54.840 -0.056 0.000 0.801 361 L CB 1.245 43.262 42.059 -0.070 0.000 1.191 361 L HN 0.553 nan 8.230 nan 0.000 0.459 362 G N 0.291 109.084 108.800 -0.011 0.000 2.701 362 G HA2 0.590 4.550 3.960 0.001 0.000 0.300 362 G HA3 0.590 4.550 3.960 0.001 0.000 0.300 362 G C -1.728 173.186 174.900 0.024 0.000 1.410 362 G CA -0.245 44.864 45.100 0.016 0.000 1.014 362 G HN 0.267 nan 8.290 nan 0.000 0.509 363 V N 1.503 121.465 119.914 0.081 0.000 2.444 363 V HA 0.429 4.550 4.120 0.001 0.000 0.294 363 V C -0.142 176.015 176.094 0.105 0.000 1.022 363 V CA -0.787 61.560 62.300 0.079 0.000 0.850 363 V CB 1.634 33.521 31.823 0.107 0.000 0.992 363 V HN 0.840 nan 8.190 nan 0.000 0.426 364 E N 3.870 124.075 120.200 0.010 0.000 2.115 364 E HA 0.473 4.824 4.350 0.001 0.000 0.282 364 E C -1.130 175.502 176.600 0.054 0.000 0.987 364 E CA -0.779 55.632 56.400 0.017 0.000 0.797 364 E CB 1.107 30.779 29.700 -0.047 0.000 1.086 364 E HN 0.537 nan 8.360 nan 0.000 0.397 365 I N 4.897 125.516 120.570 0.082 0.000 2.352 365 I HA 0.144 4.315 4.170 0.001 0.000 0.290 365 I C -0.172 175.990 176.117 0.075 0.000 1.036 365 I CA -0.114 61.239 61.300 0.088 0.000 1.336 365 I CB 1.184 39.245 38.000 0.102 0.000 1.407 365 I HN 0.248 nan 8.210 nan 0.000 0.497 366 V N 7.156 127.121 119.914 0.085 0.000 2.823 366 V HA 0.387 4.508 4.120 0.001 0.000 0.312 366 V C 1.005 177.140 176.094 0.069 0.000 1.072 366 V CA -0.654 61.700 62.300 0.089 0.000 0.937 366 V CB 2.032 33.933 31.823 0.131 0.000 1.013 366 V HN 0.791 nan 8.190 nan 0.000 0.430 367 K N 2.444 122.876 120.400 0.054 0.000 2.152 367 K HA -0.014 4.307 4.320 0.001 0.000 0.206 367 K C -0.090 176.538 176.600 0.047 0.000 1.048 367 K CA 1.685 57.997 56.287 0.043 0.000 0.933 367 K CB -0.042 32.477 32.500 0.031 0.000 0.721 367 K HN 0.920 nan 8.250 nan 0.000 0.447 368 D N -1.687 118.744 120.400 0.052 0.000 2.746 368 D HA 0.065 4.706 4.640 0.001 0.000 0.211 368 D C 0.179 176.512 176.300 0.056 0.000 1.242 368 D CA -0.524 53.506 54.000 0.050 0.000 0.790 368 D CB 0.945 41.766 40.800 0.034 0.000 1.744 368 D HN -0.292 nan 8.370 nan 0.000 0.520 369 R N 2.229 122.768 120.500 0.066 0.000 2.143 369 R HA -0.194 4.146 4.340 0.001 0.000 0.239 369 R C 1.928 178.250 176.300 0.037 0.000 1.126 369 R CA 1.807 57.953 56.100 0.076 0.000 0.927 369 R CB -1.035 29.306 30.300 0.070 0.000 0.860 369 R HN 0.602 nan 8.270 nan 0.000 0.433 370 R N 0.048 120.560 120.500 0.021 0.000 2.196 370 R HA -0.205 4.136 4.340 0.001 0.000 0.244 370 R C 2.410 178.699 176.300 -0.019 0.000 1.121 370 R CA 2.745 58.844 56.100 -0.000 0.000 0.930 370 R CB -1.248 29.054 30.300 0.003 0.000 0.890 370 R HN 0.603 nan 8.270 nan 0.000 0.435 371 T N -2.250 112.298 114.554 -0.011 0.000 3.081 371 T HA 0.147 4.498 4.350 0.001 0.000 0.255 371 T C 0.576 175.256 174.700 -0.033 0.000 1.113 371 T CA 0.240 62.326 62.100 -0.024 0.000 1.082 371 T CB 0.044 68.905 68.868 -0.011 0.000 0.939 371 T HN 0.282 nan 8.240 nan 0.000 0.506 372 K N 1.120 121.512 120.400 -0.013 0.000 3.088 372 K HA -0.193 4.128 4.320 0.001 0.000 0.273 372 K C 0.016 176.631 176.600 0.025 0.000 1.111 372 K CA 0.849 57.137 56.287 0.003 0.000 0.803 372 K CB -1.525 30.890 32.500 -0.141 0.000 1.226 372 K HN 0.805 nan 8.250 nan 0.000 0.485 373 E N 1.687 121.901 120.200 0.024 0.000 2.351 373 E HA 0.068 4.419 4.350 0.001 0.000 0.266 373 E C -2.316 174.310 176.600 0.042 0.000 1.031 373 E CA -1.939 54.477 56.400 0.025 0.000 0.911 373 E CB 0.580 30.289 29.700 0.016 0.000 0.986 373 E HN -0.077 nan 8.360 nan 0.000 0.446 374 P HA -0.127 nan 4.420 nan 0.000 0.263 374 P C -1.279 176.039 177.300 0.031 0.000 1.162 374 P CA 0.420 63.547 63.100 0.044 0.000 0.758 374 P CB 0.562 32.282 31.700 0.032 0.000 0.773 375 A N 3.422 126.260 122.820 0.030 0.000 2.527 375 A HA 0.171 4.491 4.320 0.001 0.000 0.313 375 A C -0.186 177.400 177.584 0.004 0.000 1.410 375 A CA -0.359 51.691 52.037 0.022 0.000 1.060 375 A CB -0.592 18.426 19.000 0.031 0.000 1.137 375 A HN 0.379 nan 8.150 nan 0.000 0.542 376 D N 2.105 122.507 120.400 0.003 0.000 2.382 376 D HA 0.380 5.020 4.640 0.001 0.000 0.259 376 D C 1.509 177.803 176.300 -0.009 0.000 1.224 376 D CA 1.744 55.740 54.000 -0.006 0.000 0.894 376 D CB 0.832 41.630 40.800 -0.003 0.000 1.127 376 D HN 0.848 nan 8.370 nan 0.000 0.487 377 G N 2.098 110.886 108.800 -0.020 0.000 2.609 377 G HA2 -0.407 3.554 3.960 0.001 0.000 0.235 377 G HA3 -0.407 3.554 3.960 0.001 0.000 0.235 377 G C 1.155 176.047 174.900 -0.013 0.000 1.177 377 G CA 0.453 45.542 45.100 -0.019 0.000 0.707 377 G HN 0.508 nan 8.290 nan 0.000 0.513 378 L N 2.237 123.458 121.223 -0.003 0.000 2.021 378 L HA 0.116 4.457 4.340 0.001 0.000 0.215 378 L C 2.862 179.748 176.870 0.027 0.000 1.074 378 L CA 3.357 58.203 54.840 0.010 0.000 0.760 378 L CB -1.162 40.906 42.059 0.015 0.000 0.889 378 L HN 0.614 nan 8.230 nan 0.000 0.433 379 G N -1.293 107.507 108.800 0.000 0.000 2.459 379 G HA2 -0.300 3.661 3.960 0.001 0.000 0.217 379 G HA3 -0.300 3.661 3.960 0.001 0.000 0.217 379 G C 1.621 176.490 174.900 -0.052 0.000 1.183 379 G CA 1.151 46.225 45.100 -0.043 0.000 0.776 379 G HN 0.680 nan 8.290 nan 0.000 0.552 380 A N 0.448 123.228 122.820 -0.067 0.000 1.908 380 A HA -0.065 4.255 4.320 0.001 0.000 0.218 380 A C 2.255 179.847 177.584 0.013 0.000 1.181 380 A CA 2.231 54.239 52.037 -0.047 0.000 0.627 380 A CB -0.436 18.535 19.000 -0.049 0.000 0.818 380 A HN 0.406 nan 8.150 nan 0.000 0.445 381 K N -0.499 119.913 120.400 0.020 0.000 2.026 381 K HA -0.068 4.253 4.320 0.001 0.000 0.208 381 K C 1.809 178.440 176.600 0.052 0.000 1.048 381 K CA 1.594 57.896 56.287 0.025 0.000 0.929 381 K CB -0.315 32.191 32.500 0.009 0.000 0.713 381 K HN 0.550 nan 8.250 nan 0.000 0.439 382 I N 0.539 121.172 120.570 0.105 0.000 2.226 382 I HA -0.280 3.890 4.170 0.001 0.000 0.245 382 I C 2.019 178.239 176.117 0.172 0.000 1.100 382 I CA 1.346 62.715 61.300 0.115 0.000 1.374 382 I CB -0.425 37.684 38.000 0.181 0.000 1.057 382 I HN 0.225 nan 8.210 nan 0.000 0.413 383 T N 0.107 114.867 114.554 0.343 0.000 2.821 383 T HA -0.171 4.180 4.350 0.001 0.000 0.267 383 T C 2.036 176.810 174.700 0.123 0.000 1.046 383 T CA 1.038 63.328 62.100 0.315 0.000 1.139 383 T CB -0.243 68.770 68.868 0.242 0.000 0.871 383 T HN 0.291 nan 8.240 nan 0.000 0.454 384 R N 0.824 121.369 120.500 0.075 0.000 2.073 384 R HA -0.089 4.251 4.340 0.001 0.000 0.234 384 R C 2.406 178.716 176.300 0.016 0.000 1.134 384 R CA 1.212 57.331 56.100 0.031 0.000 0.952 384 R CB -0.054 30.254 30.300 0.014 0.000 0.850 384 R HN 0.301 nan 8.270 nan 0.000 0.433 385 E N 0.187 120.392 120.200 0.009 0.000 2.110 385 E HA -0.206 4.145 4.350 0.001 0.000 0.193 385 E C 2.128 178.711 176.600 -0.029 0.000 0.988 385 E CA 1.137 57.527 56.400 -0.016 0.000 0.804 385 E CB -0.460 29.222 29.700 -0.031 0.000 0.745 385 E HN 0.427 nan 8.360 nan 0.000 0.458 386 C N 0.622 119.903 119.300 -0.031 0.000 2.429 386 C HA -0.126 4.334 4.460 0.001 0.000 0.277 386 C C 2.773 177.739 174.990 -0.040 0.000 1.262 386 C CA 0.881 59.862 59.018 -0.060 0.000 1.733 386 C CB -0.797 26.899 27.740 -0.073 0.000 2.010 386 C HN 0.388 nan 8.230 nan 0.000 0.483 387 M N 1.896 121.491 119.600 -0.008 0.000 2.117 387 M HA -0.085 4.396 4.480 0.001 0.000 0.262 387 M C 1.880 178.176 176.300 -0.007 0.000 1.065 387 M CA 1.652 56.952 55.300 -0.001 0.000 1.114 387 M CB -0.965 31.645 32.600 0.017 0.000 1.361 387 M HN 0.339 nan 8.290 nan 0.000 0.408 388 N N 0.166 118.860 118.700 -0.009 0.000 2.104 388 N HA -0.132 4.608 4.740 0.001 0.000 0.190 388 N C 1.671 177.173 175.510 -0.014 0.000 1.024 388 N CA 1.587 54.631 53.050 -0.010 0.000 0.853 388 N CB -0.552 37.927 38.487 -0.013 0.000 1.008 388 N HN 0.424 nan 8.380 nan 0.000 0.424 389 L N 0.007 121.216 121.223 -0.025 0.000 2.551 389 L HA 0.069 4.410 4.340 0.001 0.000 0.228 389 L C 1.052 177.905 176.870 -0.028 0.000 1.153 389 L CA 0.346 55.168 54.840 -0.031 0.000 0.851 389 L CB -0.430 41.599 42.059 -0.049 0.000 0.959 389 L HN 0.243 nan 8.230 nan 0.000 0.451 390 G N 0.757 109.544 108.800 -0.022 0.000 2.165 390 G HA2 -0.246 3.715 3.960 0.001 0.000 0.226 390 G HA3 -0.246 3.715 3.960 0.001 0.000 0.226 390 G C -0.236 174.641 174.900 -0.038 0.000 1.035 390 G CA -0.232 44.864 45.100 -0.007 0.000 0.744 390 G HN 0.209 nan 8.290 nan 0.000 0.501 391 L N 1.197 122.371 121.223 -0.081 0.000 2.372 391 L HA 0.695 5.035 4.340 0.001 0.000 0.274 391 L C 0.186 177.004 176.870 -0.085 0.000 0.988 391 L CA -0.638 54.106 54.840 -0.161 0.000 0.833 391 L CB 1.826 43.732 42.059 -0.255 0.000 1.236 391 L HN 0.181 nan 8.230 nan 0.000 0.410 392 S N 6.226 121.895 115.700 -0.052 0.000 2.422 392 S HA 0.506 4.977 4.470 0.001 0.000 0.283 392 S C -0.038 174.615 174.600 0.087 0.000 1.163 392 S CA -0.563 57.653 58.200 0.026 0.000 1.054 392 S CB 0.117 63.340 63.200 0.040 0.000 0.967 392 S HN 0.533 nan 8.310 nan 0.000 0.499 393 M N 3.994 123.662 119.600 0.113 0.000 2.821 393 M HA 0.475 4.955 4.480 0.001 0.000 0.304 393 M C -0.212 176.206 176.300 0.196 0.000 1.233 393 M CA -0.711 54.708 55.300 0.198 0.000 0.851 393 M CB 1.674 34.415 32.600 0.235 0.000 1.723 393 M HN 0.753 nan 8.290 nan 0.000 0.493 394 N N 0.613 119.453 118.700 0.234 0.000 2.425 394 N HA 0.511 5.251 4.740 0.001 0.000 0.289 394 N C -2.178 173.339 175.510 0.012 0.000 1.074 394 N CA -0.329 52.777 53.050 0.095 0.000 0.905 394 N CB 2.515 41.026 38.487 0.041 0.000 1.586 394 N HN 0.709 nan 8.380 nan 0.000 0.490 395 I N 4.228 124.688 120.570 -0.183 0.000 2.406 395 I HA 0.424 4.595 4.170 0.001 0.000 0.290 395 I C -0.686 175.272 176.117 -0.265 0.000 0.999 395 I CA -0.772 60.277 61.300 -0.419 0.000 1.124 395 I CB 1.453 38.937 38.000 -0.860 0.000 1.289 395 I HN 0.334 nan 8.210 nan 0.000 0.441 396 V N 4.118 123.898 119.914 -0.224 0.000 2.547 396 V HA 0.666 4.786 4.120 0.001 0.000 0.299 396 V C -0.789 175.213 176.094 -0.152 0.000 1.040 396 V CA -0.438 61.760 62.300 -0.171 0.000 0.913 396 V CB 1.534 33.266 31.823 -0.152 0.000 0.992 396 V HN 0.870 nan 8.190 nan 0.000 0.449 397 Q N 3.487 123.215 119.800 -0.120 0.000 2.292 397 Q HA 0.759 5.099 4.340 0.001 0.000 0.270 397 Q C -1.880 174.085 176.000 -0.058 0.000 1.024 397 Q CA -0.313 55.437 55.803 -0.089 0.000 0.768 397 Q CB 1.681 30.366 28.738 -0.089 0.000 1.250 397 Q HN 0.888 nan 8.270 nan 0.000 0.447 398 L N 5.204 126.402 121.223 -0.042 0.000 2.333 398 L HA 0.741 5.081 4.340 0.001 0.000 0.263 398 L C -2.180 174.689 176.870 -0.003 0.000 1.014 398 L CA -1.946 52.881 54.840 -0.022 0.000 0.820 398 L CB 1.517 43.557 42.059 -0.032 0.000 1.352 398 L HN 0.643 nan 8.230 nan 0.000 0.421 399 P HA 0.051 nan 4.420 nan 0.000 0.269 399 P C 0.661 177.980 177.300 0.031 0.000 1.217 399 P CA 0.455 63.566 63.100 0.019 0.000 0.783 399 P CB 0.485 32.199 31.700 0.024 0.000 0.898 400 G N 0.422 109.242 108.800 0.034 0.000 2.269 400 G HA2 -0.279 3.682 3.960 0.001 0.000 0.277 400 G HA3 -0.279 3.682 3.960 0.001 0.000 0.277 400 G C 0.048 174.992 174.900 0.074 0.000 1.008 400 G CA 0.834 45.961 45.100 0.045 0.000 0.774 400 G HN 0.713 nan 8.290 nan 0.000 0.511 401 M N -0.247 119.396 119.600 0.073 0.000 2.371 401 M HA 0.568 5.048 4.480 0.001 0.000 0.287 401 M C 0.639 176.989 176.300 0.084 0.000 1.149 401 M CA -0.110 55.262 55.300 0.119 0.000 0.929 401 M CB 1.415 34.083 32.600 0.112 0.000 1.683 401 M HN 0.328 nan 8.290 nan 0.000 0.470 402 G N 1.529 110.400 108.800 0.119 0.000 2.684 402 G HA2 0.431 4.392 3.960 0.001 0.000 0.255 402 G HA3 0.431 4.392 3.960 0.001 0.000 0.255 402 G C 0.066 174.977 174.900 0.018 0.000 1.219 402 G CA -0.247 44.896 45.100 0.072 0.000 0.901 402 G HN 0.897 nan 8.290 nan 0.000 0.548 403 G N -1.373 107.407 108.800 -0.033 0.000 2.354 403 G HA2 0.422 4.383 3.960 0.001 0.000 0.266 403 G HA3 0.422 4.383 3.960 0.001 0.000 0.266 403 G C -0.387 174.429 174.900 -0.141 0.000 1.242 403 G CA -0.241 44.785 45.100 -0.124 0.000 0.923 403 G HN 0.566 nan 8.290 nan 0.000 0.476 404 V N 3.726 123.549 119.914 -0.152 0.000 2.370 404 V HA 0.306 4.427 4.120 0.001 0.000 0.279 404 V C -0.392 175.609 176.094 -0.155 0.000 1.029 404 V CA -0.696 61.547 62.300 -0.096 0.000 0.870 404 V CB 0.929 32.725 31.823 -0.046 0.000 0.984 404 V HN 0.552 nan 8.190 nan 0.000 0.451 405 F N 4.535 124.468 119.950 -0.028 0.000 2.438 405 F HA 0.430 4.958 4.527 0.001 0.000 0.356 405 F C 1.160 176.941 175.800 -0.033 0.000 1.099 405 F CA -0.216 57.770 58.000 -0.023 0.000 1.185 405 F CB 0.741 39.736 39.000 -0.009 0.000 1.115 405 F HN 0.311 nan 8.300 nan 0.000 0.526 406 R N 5.724 126.306 120.500 0.137 0.000 2.280 406 R HA 0.407 4.748 4.340 0.001 0.000 0.326 406 R C -0.895 175.434 176.300 0.048 0.000 1.080 406 R CA -0.388 55.742 56.100 0.050 0.000 1.002 406 R CB 0.554 30.848 30.300 -0.011 0.000 1.136 406 R HN 0.575 nan 8.270 nan 0.000 0.509 407 I N 2.125 122.699 120.570 0.005 0.000 2.312 407 I HA 0.299 4.469 4.170 0.001 0.000 0.291 407 I C 0.357 176.354 176.117 -0.201 0.000 1.031 407 I CA -0.139 61.097 61.300 -0.107 0.000 1.293 407 I CB 1.483 39.388 38.000 -0.158 0.000 1.403 407 I HN 0.570 nan 8.210 nan 0.000 0.484 408 A N 8.823 131.504 122.820 -0.231 0.000 3.158 408 A HA 0.502 4.823 4.320 0.001 0.000 0.302 408 A C -2.699 174.751 177.584 -0.222 0.000 1.162 408 A CA -1.072 50.840 52.037 -0.208 0.000 0.824 408 A CB 0.216 19.149 19.000 -0.112 0.000 1.322 408 A HN 0.380 nan 8.150 nan 0.000 0.510 409 P HA 0.356 nan 4.420 nan 0.000 0.275 409 P C -2.771 174.442 177.300 -0.145 0.000 1.266 409 P CA -1.368 61.593 63.100 -0.232 0.000 0.793 409 P CB -0.140 31.357 31.700 -0.340 0.000 1.074 410 P HA 0.090 nan 4.420 nan 0.000 0.269 410 P C 0.958 178.217 177.300 -0.069 0.000 1.217 410 P CA 0.329 63.379 63.100 -0.084 0.000 0.783 410 P CB 0.140 31.800 31.700 -0.066 0.000 0.898 411 L N 0.872 122.059 121.223 -0.060 0.000 2.622 411 L HA -0.042 4.298 4.340 0.001 0.000 0.233 411 L C 1.525 178.380 176.870 -0.024 0.000 1.156 411 L CA 1.210 56.020 54.840 -0.051 0.000 0.866 411 L CB -1.042 40.984 42.059 -0.056 0.000 0.980 411 L HN 0.487 nan 8.230 nan 0.000 0.448 412 T N -3.363 111.187 114.554 -0.007 0.000 3.105 412 T HA 0.174 4.525 4.350 0.001 0.000 0.253 412 T C 0.668 175.386 174.700 0.029 0.000 1.047 412 T CA -0.310 61.806 62.100 0.027 0.000 0.944 412 T CB -0.612 68.298 68.868 0.070 0.000 1.016 412 T HN 0.053 nan 8.240 nan 0.000 0.544 413 V N 1.928 121.848 119.914 0.010 0.000 2.901 413 V HA 0.451 4.572 4.120 0.001 0.000 0.307 413 V C 0.557 176.675 176.094 0.040 0.000 1.084 413 V CA -0.921 61.395 62.300 0.027 0.000 1.184 413 V CB 0.027 31.861 31.823 0.018 0.000 0.941 413 V HN 0.559 nan 8.190 nan 0.000 0.493 414 S N 1.426 117.163 115.700 0.062 0.000 2.687 414 S HA 0.443 4.913 4.470 0.001 0.000 0.283 414 S C 0.625 175.261 174.600 0.060 0.000 1.170 414 S CA -0.314 57.922 58.200 0.061 0.000 1.008 414 S CB 1.561 64.807 63.200 0.077 0.000 1.026 414 S HN 0.751 nan 8.310 nan 0.000 0.541 415 E N 1.028 121.258 120.200 0.049 0.000 2.085 415 E HA -0.121 4.230 4.350 0.001 0.000 0.194 415 E C 1.264 177.899 176.600 0.057 0.000 0.994 415 E CA 1.777 58.205 56.400 0.046 0.000 0.801 415 E CB -0.285 29.437 29.700 0.035 0.000 0.743 415 E HN 0.661 nan 8.360 nan 0.000 0.453 416 D N 0.339 120.777 120.400 0.063 0.000 2.149 416 D HA -0.105 4.535 4.640 0.001 0.000 0.201 416 D C 1.682 178.036 176.300 0.089 0.000 0.972 416 D CA 0.760 54.801 54.000 0.069 0.000 0.835 416 D CB -0.119 40.722 40.800 0.069 0.000 0.966 416 D HN 0.312 nan 8.370 nan 0.000 0.476 417 E N 0.328 120.594 120.200 0.109 0.000 2.077 417 E HA -0.136 4.215 4.350 0.001 0.000 0.193 417 E C 2.169 178.845 176.600 0.126 0.000 0.989 417 E CA 0.418 56.889 56.400 0.119 0.000 0.800 417 E CB 0.129 29.895 29.700 0.109 0.000 0.746 417 E HN 0.197 nan 8.360 nan 0.000 0.452 418 I N 1.860 122.516 120.570 0.144 0.000 2.179 418 I HA -0.254 3.916 4.170 0.001 0.000 0.242 418 I C 1.862 178.072 176.117 0.154 0.000 1.088 418 I CA 1.429 62.849 61.300 0.198 0.000 1.357 418 I CB -1.061 37.006 38.000 0.111 0.000 1.051 418 I HN 0.106 nan 8.210 nan 0.000 0.409 419 D N 0.718 121.171 120.400 0.089 0.000 2.092 419 D HA -0.200 4.440 4.640 0.001 0.000 0.193 419 D C 2.184 178.502 176.300 0.031 0.000 0.994 419 D CA 1.039 55.073 54.000 0.057 0.000 0.828 419 D CB -0.480 40.347 40.800 0.045 0.000 0.963 419 D HN 0.166 nan 8.370 nan 0.000 0.450 420 L N 1.250 122.488 121.223 0.025 0.000 2.021 420 L HA -0.141 4.200 4.340 0.001 0.000 0.215 420 L C 2.210 179.014 176.870 -0.110 0.000 1.074 420 L CA 2.505 57.337 54.840 -0.013 0.000 0.760 420 L CB -1.130 40.949 42.059 0.033 0.000 0.889 420 L HN 0.078 nan 8.230 nan 0.000 0.433 421 G N -0.377 108.301 108.800 -0.203 0.000 2.459 421 G HA2 -0.240 3.721 3.960 0.001 0.000 0.217 421 G HA3 -0.240 3.721 3.960 0.001 0.000 0.217 421 G C 1.496 176.271 174.900 -0.207 0.000 1.183 421 G CA 0.948 45.736 45.100 -0.521 0.000 0.776 421 G HN 0.359 nan 8.290 nan 0.000 0.552 422 L N 1.222 122.443 121.223 -0.004 0.000 2.013 422 L HA -0.100 4.240 4.340 0.001 0.000 0.212 422 L C 3.067 179.931 176.870 -0.010 0.000 1.073 422 L CA 2.075 56.931 54.840 0.028 0.000 0.753 422 L CB -1.483 40.610 42.059 0.057 0.000 0.890 422 L HN 0.374 nan 8.230 nan 0.000 0.432 423 S N -0.440 115.249 115.700 -0.019 0.000 2.353 423 S HA -0.175 4.295 4.470 0.001 0.000 0.222 423 S C 2.120 176.698 174.600 -0.037 0.000 1.035 423 S CA 1.345 59.537 58.200 -0.014 0.000 1.025 423 S CB -0.137 63.056 63.200 -0.011 0.000 0.902 423 S HN 0.385 nan 8.310 nan 0.000 0.440 424 L N 1.001 122.174 121.223 -0.083 0.000 2.093 424 L HA -0.023 4.317 4.340 0.001 0.000 0.208 424 L C 2.584 179.382 176.870 -0.119 0.000 1.085 424 L CA 0.940 55.719 54.840 -0.102 0.000 0.755 424 L CB -0.517 41.454 42.059 -0.146 0.000 0.904 424 L HN 0.370 nan 8.230 nan 0.000 0.435 425 L N -0.042 121.095 121.223 -0.143 0.000 2.017 425 L HA -0.143 4.198 4.340 0.001 0.000 0.208 425 L C 2.481 179.270 176.870 -0.135 0.000 1.073 425 L CA 1.795 56.532 54.840 -0.171 0.000 0.745 425 L CB -0.751 41.215 42.059 -0.157 0.000 0.894 425 L HN 0.327 nan 8.230 nan 0.000 0.432 426 G N -0.995 107.783 108.800 -0.037 0.000 2.440 426 G HA2 -0.297 3.664 3.960 0.001 0.000 0.218 426 G HA3 -0.297 3.664 3.960 0.001 0.000 0.218 426 G C 1.384 176.306 174.900 0.036 0.000 1.154 426 G CA 0.609 45.753 45.100 0.073 0.000 0.767 426 G HN 0.486 nan 8.290 nan 0.000 0.552 427 Q N 0.187 119.987 119.800 0.001 0.000 2.046 427 Q HA 0.015 4.356 4.340 0.001 0.000 0.200 427 Q C 3.061 179.029 176.000 -0.054 0.000 0.975 427 Q CA 1.183 56.984 55.803 -0.004 0.000 0.836 427 Q CB -0.300 28.431 28.738 -0.013 0.000 0.896 427 Q HN 0.468 nan 8.270 nan 0.000 0.428 428 A N 1.184 123.947 122.820 -0.095 0.000 1.908 428 A HA -0.192 4.128 4.320 0.001 0.000 0.218 428 A C 2.052 179.539 177.584 -0.161 0.000 1.181 428 A CA 1.291 53.260 52.037 -0.113 0.000 0.627 428 A CB -0.713 18.208 19.000 -0.130 0.000 0.818 428 A HN 0.319 nan 8.150 nan 0.000 0.445 429 I N -0.528 119.875 120.570 -0.280 0.000 2.394 429 I HA -0.234 3.936 4.170 0.001 0.000 0.251 429 I C 2.411 178.282 176.117 -0.410 0.000 1.136 429 I CA 1.371 62.387 61.300 -0.472 0.000 1.425 429 I CB -0.453 36.963 38.000 -0.973 0.000 1.079 429 I HN 0.447 nan 8.210 nan 0.000 0.425 430 E N 0.756 120.821 120.200 -0.226 0.000 2.106 430 E HA -0.176 4.175 4.350 0.001 0.000 0.192 430 E C 2.289 178.882 176.600 -0.013 0.000 0.984 430 E CA 0.882 57.282 56.400 0.000 0.000 0.806 430 E CB -0.014 29.758 29.700 0.120 0.000 0.750 430 E HN 0.492 nan 8.360 nan 0.000 0.458 431 R N 0.298 120.775 120.500 -0.040 0.000 2.153 431 R HA 0.049 4.390 4.340 0.001 0.000 0.218 431 R C 2.264 178.546 176.300 -0.029 0.000 1.072 431 R CA 0.800 56.885 56.100 -0.024 0.000 0.990 431 R CB -0.085 30.200 30.300 -0.025 0.000 0.889 431 R HN 0.057 nan 8.270 nan 0.000 0.452 432 A N 1.610 124.398 122.820 -0.054 0.000 1.929 432 A HA 0.021 4.342 4.320 0.001 0.000 0.216 432 A C 1.336 178.903 177.584 -0.028 0.000 1.176 432 A CA 0.567 52.580 52.037 -0.040 0.000 0.628 432 A CB -0.304 18.666 19.000 -0.050 0.000 0.816 432 A HN 0.063 nan 8.150 nan 0.000 0.444 433 L N 0.000 121.203 121.223 -0.034 0.000 2.949 433 L HA 0.000 4.341 4.340 0.001 0.000 0.249 433 L CA 0.000 54.839 54.840 -0.002 0.000 0.813 433 L CB 0.000 42.073 42.059 0.023 0.000 0.961 433 L HN 0.000 nan 8.230 nan 0.000 0.502