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 3c9f_1_A DATA FIRST_RESID 16 DATA SEQUENCE SFPHRNLTWN DINFVHTTDT HGWYSGHINQ PLYHANWGDF ISFTTHMRRI DATA SEQUENCE AHSRNQDLLL IDSGDRHDGN GLSDITSPNG LKSTPIFIKQ DYDLLTIGNH DATA SEQUENCE ELYLWENSKQ EYETVVNHFQ DKYVCSNVDI RLDNGLFVPL GLKYKYFTTP DATA SEQUENCE IRGIRVMAFG FLFDFKRFNS GTRVTPMAET IHEPWFQEAL KHEVDLIIIV DATA SEQUENCE GHTPISHNWG EFYQVHQYLR QFFPDTIIQY FGGHSHIRDF TVFDSLSTGL DATA SEQUENCE QSGRYCETVG WTSVNLDKAD LNLPVRQRFS RSYIDFNTDS FKYHTNLDKE DATA SEQUENCE FDTAKGKLVS KLIRETRKEL KLDTLIGYVK TNYYVDYVPI DHPKSIFNLL DATA SEQUENCE ALKILKTLPK SKHEERITII NTGSIRYDLY KGPYTIDSKF IVSPFENIWV DATA SEQUENCE NITVPKSVAT KVAAKLNDXX YISASRLKPP HQYDLQVQXX XXXXXXXXXX DATA SEQUENCE XQEKLPKGYV THDDFGADGD DTLHRAVVNF PVPNVIQSVE INDEVDSPVN DATA SEQUENCE LVFYSFITPN IIWALKELNF STEQVPTPYS DIYLGTLLNE FVANNE 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 16 S HA 0.000 nan 4.470 nan 0.000 0.327 16 S C 0.000 174.125 174.600 -0.791 0.000 1.055 16 S CA 0.000 57.718 58.200 -0.804 0.000 1.107 16 S CB 0.000 62.919 63.200 -0.468 0.000 0.593 17 F N 1.911 121.715 119.950 -0.244 0.000 2.598 17 F HA 0.743 5.270 4.527 -0.001 0.000 0.327 17 F C -2.162 173.276 175.800 -0.603 0.000 1.057 17 F CA -2.501 55.266 58.000 -0.389 0.000 0.957 17 F CB 0.211 38.959 39.000 -0.419 0.000 1.278 17 F HN 0.034 nan 8.300 nan 0.000 0.484 18 P HA 0.191 nan 4.420 nan 0.000 0.276 18 P C -1.088 175.888 177.300 -0.539 0.000 1.230 18 P CA 0.101 63.001 63.100 -0.333 0.000 0.776 18 P CB 0.761 32.367 31.700 -0.156 0.000 0.888 19 H N 1.806 120.642 119.070 -0.391 0.000 2.569 19 H HA 0.378 4.933 4.556 -0.001 0.000 0.357 19 H C 0.639 175.814 175.328 -0.255 0.000 1.153 19 H CA -0.624 55.122 56.048 -0.503 0.000 1.193 19 H CB 1.947 30.980 29.762 -1.215 0.000 1.602 19 H HN 0.316 nan 8.280 nan 0.000 0.523 20 R N 1.573 122.102 120.500 0.049 0.000 2.490 20 R HA 0.180 4.520 4.340 -0.001 0.000 0.278 20 R C -0.114 176.342 176.300 0.260 0.000 1.069 20 R CA -0.402 55.770 56.100 0.120 0.000 1.080 20 R CB 0.773 31.126 30.300 0.088 0.000 1.030 20 R HN 0.598 nan 8.270 nan 0.000 0.491 21 N N 1.421 120.277 118.700 0.260 0.000 2.529 21 N HA 0.158 4.897 4.740 -0.001 0.000 0.278 21 N C -0.395 175.217 175.510 0.171 0.000 1.146 21 N CA -0.440 52.802 53.050 0.320 0.000 0.980 21 N CB 0.826 39.462 38.487 0.250 0.000 1.124 21 N HN 0.178 nan 8.380 nan 0.000 0.458 22 L N 1.393 122.659 121.223 0.071 0.000 2.426 22 L HA 0.177 4.517 4.340 -0.001 0.000 0.271 22 L C 0.372 177.277 176.870 0.059 0.000 1.169 22 L CA -0.108 54.575 54.840 -0.262 0.000 0.836 22 L CB 0.345 41.797 42.059 -1.011 0.000 1.112 22 L HN 0.472 nan 8.230 nan 0.000 0.465 23 T N 1.200 115.838 114.554 0.139 0.000 2.738 23 T HA 0.259 4.609 4.350 -0.001 0.000 0.298 23 T C -0.398 174.605 174.700 0.504 0.000 0.962 23 T CA -0.404 61.892 62.100 0.326 0.000 0.972 23 T CB 0.123 69.152 68.868 0.267 0.000 0.928 23 T HN 0.254 nan 8.240 nan 0.000 0.474 24 W N 2.821 124.298 121.300 0.295 0.000 2.213 24 W HA 0.614 5.273 4.660 -0.000 0.000 0.356 24 W C 0.874 177.518 176.519 0.209 0.000 1.273 24 W CA -0.426 57.145 57.345 0.376 0.000 1.391 24 W CB 0.430 30.047 29.460 0.261 0.000 1.187 24 W HN 0.473 nan 8.180 nan 0.000 0.649 25 N N -0.720 118.215 118.700 0.391 0.000 3.441 25 N HA 0.024 4.764 4.740 -0.001 0.000 0.313 25 N C 0.376 175.950 175.510 0.107 0.000 1.526 25 N CA -0.388 52.776 53.050 0.190 0.000 0.871 25 N CB 0.656 39.213 38.487 0.117 0.000 1.779 25 N HN 0.238 nan 8.380 nan 0.000 0.529 26 D N 0.685 121.105 120.400 0.033 0.000 2.127 26 D HA -0.098 4.542 4.640 -0.001 0.000 0.190 26 D C 0.647 176.914 176.300 -0.054 0.000 1.000 26 D CA 1.557 55.553 54.000 -0.007 0.000 0.839 26 D CB 0.176 40.958 40.800 -0.030 0.000 0.955 26 D HN 0.453 nan 8.370 nan 0.000 0.446 27 I N 0.423 120.914 120.570 -0.133 0.000 2.436 27 I HA 0.182 4.352 4.170 -0.001 0.000 0.289 27 I C -1.162 174.651 176.117 -0.506 0.000 1.010 27 I CA -0.651 60.461 61.300 -0.314 0.000 1.098 27 I CB 1.139 38.923 38.000 -0.360 0.000 1.266 27 I HN -0.212 nan 8.210 nan 0.000 0.434 28 N N 6.795 125.134 118.700 -0.601 0.000 2.370 28 N HA 0.503 5.243 4.740 -0.001 0.000 0.303 28 N C -1.595 173.329 175.510 -0.976 0.000 1.103 28 N CA -0.254 52.318 53.050 -0.797 0.000 0.848 28 N CB 1.859 39.963 38.487 -0.638 0.000 1.235 28 N HN 0.319 nan 8.380 nan 0.000 0.496 29 F N 0.191 119.757 119.950 -0.640 0.000 2.518 29 F HA 0.377 4.904 4.527 -0.001 0.000 0.323 29 F C 0.015 175.638 175.800 -0.295 0.000 1.129 29 F CA -0.848 56.956 58.000 -0.327 0.000 0.920 29 F CB 1.637 40.617 39.000 -0.034 0.000 1.160 29 F HN -0.022 nan 8.300 nan 0.000 0.440 30 V N 3.514 123.490 119.914 0.104 0.000 2.398 30 V HA 0.345 4.464 4.120 -0.001 0.000 0.286 30 V C -0.606 175.712 176.094 0.373 0.000 1.026 30 V CA -0.581 61.888 62.300 0.281 0.000 0.868 30 V CB 1.443 33.408 31.823 0.237 0.000 0.982 30 V HN 0.787 nan 8.190 nan 0.000 0.443 31 H N 3.469 122.741 119.070 0.337 0.000 2.589 31 H HA 0.640 5.196 4.556 -0.001 0.000 0.351 31 H C -0.704 174.854 175.328 0.384 0.000 1.074 31 H CA -0.361 55.873 56.048 0.311 0.000 1.203 31 H CB 2.089 32.053 29.762 0.336 0.000 1.558 31 H HN 0.749 nan 8.280 nan 0.000 0.522 32 T N 1.767 116.366 114.554 0.076 0.000 2.908 32 T HA 0.509 4.859 4.350 -0.001 0.000 0.290 32 T C -0.354 174.218 174.700 -0.214 0.000 1.034 32 T CA -0.929 61.188 62.100 0.028 0.000 1.010 32 T CB 2.347 71.485 68.868 0.448 0.000 1.068 32 T HN 0.552 nan 8.240 nan 0.000 0.481 33 T N 0.072 114.558 114.554 -0.113 0.000 2.886 33 T HA 0.391 4.741 4.350 -0.001 0.000 0.330 33 T C -1.454 173.232 174.700 -0.023 0.000 1.488 33 T CA -0.343 61.731 62.100 -0.044 0.000 1.054 33 T CB 0.885 69.732 68.868 -0.034 0.000 1.348 33 T HN 0.858 nan 8.240 nan 0.000 0.489 34 D N 1.831 122.226 120.400 -0.009 0.000 2.708 34 D HA -0.170 4.470 4.640 -0.001 0.000 0.236 34 D C 1.333 177.590 176.300 -0.071 0.000 1.146 34 D CA 1.345 55.286 54.000 -0.100 0.000 0.662 34 D CB -1.070 39.709 40.800 -0.035 0.000 1.059 34 D HN 0.834 nan 8.370 nan 0.000 0.428 35 T N -3.530 110.973 114.554 -0.086 0.000 2.867 35 T HA -0.218 4.131 4.350 -0.001 0.000 0.268 35 T C 1.037 175.764 174.700 0.044 0.000 1.057 35 T CA 1.098 63.198 62.100 0.001 0.000 1.136 35 T CB -0.125 68.786 68.868 0.072 0.000 0.874 35 T HN 0.495 nan 8.240 nan 0.000 0.466 36 H N 1.447 120.486 119.070 -0.053 0.000 2.690 36 H HA -0.180 4.376 4.556 -0.000 0.000 0.309 36 H C 1.504 176.625 175.328 -0.345 0.000 1.138 36 H CA 0.886 56.865 56.048 -0.115 0.000 1.142 36 H CB -1.893 27.904 29.762 0.058 0.000 1.410 36 H HN 0.897 nan 8.280 nan 0.000 0.409 37 G N -1.216 107.256 108.800 -0.547 0.000 2.148 37 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.254 37 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.254 37 G C 0.460 174.718 174.900 -1.070 0.000 0.981 37 G CA 0.382 44.933 45.100 -0.915 0.000 0.670 37 G HN 0.535 nan 8.290 nan 0.000 0.528 38 W N 0.741 121.466 121.300 -0.958 0.000 2.979 38 W HA 0.546 5.205 4.660 -0.001 0.000 0.425 38 W C 1.135 177.366 176.519 -0.480 0.000 0.884 38 W CA -0.458 56.493 57.345 -0.656 0.000 2.044 38 W CB -0.441 28.718 29.460 -0.501 0.000 0.872 38 W HN 0.366 nan 8.180 nan 0.000 0.759 39 Y N -1.410 118.858 120.300 -0.053 0.000 2.583 39 Y HA -0.062 4.487 4.550 -0.000 0.000 0.293 39 Y C 2.107 178.118 175.900 0.184 0.000 1.157 39 Y CA 0.275 58.392 58.100 0.029 0.000 1.315 39 Y CB -0.825 37.523 38.460 -0.187 0.000 1.021 39 Y HN -0.087 nan 8.280 nan 0.000 0.536 40 S N -0.708 115.100 115.700 0.180 0.000 2.562 40 S HA 0.331 4.801 4.470 -0.001 0.000 0.221 40 S C 1.246 175.991 174.600 0.241 0.000 0.975 40 S CA 0.506 58.812 58.200 0.178 0.000 0.918 40 S CB -0.497 62.725 63.200 0.036 0.000 0.772 40 S HN 0.708 nan 8.310 nan 0.000 0.531 41 G N 1.159 110.131 108.800 0.286 0.000 2.795 41 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.664 41 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.664 41 G C -0.941 174.169 174.900 0.350 0.000 1.381 41 G CA -0.805 44.506 45.100 0.352 0.000 0.853 41 G HN 0.475 nan 8.290 nan 0.000 0.545 42 H N -0.340 118.905 119.070 0.291 0.000 2.467 42 H HA 0.459 5.015 4.556 -0.001 0.000 0.326 42 H C 1.389 176.859 175.328 0.237 0.000 1.094 42 H CA -0.286 55.944 56.048 0.304 0.000 1.253 42 H CB 1.518 31.422 29.762 0.237 0.000 1.439 42 H HN 0.366 nan 8.280 nan 0.000 0.479 43 I N 2.030 122.771 120.570 0.285 0.000 2.494 43 I HA -0.164 4.005 4.170 -0.001 0.000 0.250 43 I C 1.334 177.531 176.117 0.133 0.000 1.112 43 I CA 0.911 62.320 61.300 0.181 0.000 1.438 43 I CB 0.014 38.086 38.000 0.119 0.000 1.111 43 I HN 0.522 nan 8.210 nan 0.000 0.431 44 N N -0.001 118.776 118.700 0.128 0.000 2.412 44 N HA 0.011 4.750 4.740 -0.001 0.000 0.184 44 N C -0.109 175.305 175.510 -0.160 0.000 1.101 44 N CA 0.336 53.329 53.050 -0.094 0.000 0.881 44 N CB 0.352 38.659 38.487 -0.300 0.000 0.969 44 N HN 0.292 nan 8.380 nan 0.000 0.459 45 Q N 0.269 120.115 119.800 0.076 0.000 2.674 45 Q HA 0.190 4.530 4.340 -0.001 0.000 0.249 45 Q C -2.053 173.948 176.000 0.002 0.000 1.011 45 Q CA -1.648 54.165 55.803 0.016 0.000 0.734 45 Q CB 1.750 30.564 28.738 0.127 0.000 1.201 45 Q HN 0.161 nan 8.270 nan 0.000 0.498 46 P HA -0.150 nan 4.420 nan 0.000 0.228 46 P C 1.055 178.395 177.300 0.067 0.000 1.151 46 P CA 0.511 63.658 63.100 0.078 0.000 0.770 46 P CB 0.397 32.122 31.700 0.042 0.000 0.786 47 L N -1.165 119.937 121.223 -0.201 0.000 2.450 47 L HA -0.068 4.272 4.340 -0.001 0.000 0.224 47 L C 0.751 177.364 176.870 -0.428 0.000 1.149 47 L CA 1.588 56.204 54.840 -0.373 0.000 0.816 47 L CB -0.963 40.631 42.059 -0.774 0.000 0.932 47 L HN -0.090 nan 8.230 nan 0.000 0.449 48 Y N -2.422 117.882 120.300 0.006 0.000 2.698 48 Y HA 0.210 4.759 4.550 -0.001 0.000 0.261 48 Y C 1.579 177.539 175.900 0.099 0.000 1.104 48 Y CA -0.531 57.538 58.100 -0.050 0.000 1.145 48 Y CB -1.247 36.964 38.460 -0.414 0.000 1.191 48 Y HN 0.384 nan 8.280 nan 0.000 0.564 49 H N -0.946 118.264 119.070 0.234 0.000 2.495 49 H HA 0.342 4.898 4.556 -0.001 0.000 0.287 49 H C 1.076 176.592 175.328 0.313 0.000 1.033 49 H CA 0.505 56.700 56.048 0.246 0.000 1.307 49 H CB 0.041 29.892 29.762 0.149 0.000 1.401 49 H HN 0.162 nan 8.280 nan 0.000 0.555 50 A N 1.298 123.933 122.820 -0.308 0.000 2.445 50 A HA 0.224 4.543 4.320 -0.001 0.000 0.242 50 A C 0.236 178.145 177.584 0.541 0.000 1.075 50 A CA -0.062 52.012 52.037 0.061 0.000 0.777 50 A CB -0.168 18.805 19.000 -0.047 0.000 1.013 50 A HN 0.876 nan 8.150 nan 0.000 0.493 51 N N -0.297 118.741 118.700 0.563 0.000 2.604 51 N HA 0.197 4.937 4.740 -0.001 0.000 0.297 51 N C 0.769 176.782 175.510 0.838 0.000 1.266 51 N CA -0.790 52.644 53.050 0.638 0.000 0.961 51 N CB 0.397 39.161 38.487 0.462 0.000 1.166 51 N HN 0.758 nan 8.380 nan 0.000 0.601 52 W N -0.381 121.242 121.300 0.538 0.000 2.425 52 W HA 0.010 4.670 4.660 -0.001 0.000 0.277 52 W C 1.659 178.424 176.519 0.409 0.000 1.231 52 W CA 1.083 58.762 57.345 0.556 0.000 1.248 52 W CB -0.218 29.481 29.460 0.397 0.000 1.117 52 W HN 0.798 nan 8.180 nan 0.000 0.568 53 G N 0.653 109.716 108.800 0.439 0.000 2.421 53 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.216 53 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.216 53 G C 1.086 176.106 174.900 0.199 0.000 1.171 53 G CA 1.379 46.622 45.100 0.239 0.000 0.775 53 G HN 0.148 nan 8.290 nan 0.000 0.543 54 D N 0.231 120.847 120.400 0.361 0.000 2.149 54 D HA -0.130 4.510 4.640 -0.001 0.000 0.198 54 D C 1.980 178.489 176.300 0.348 0.000 0.990 54 D CA 0.700 54.990 54.000 0.485 0.000 0.839 54 D CB -0.356 40.832 40.800 0.645 0.000 0.948 54 D HN 0.325 nan 8.370 nan 0.000 0.460 55 F N 1.273 121.237 119.950 0.024 0.000 2.259 55 F HA 0.001 4.528 4.527 -0.000 0.000 0.298 55 F C 2.072 177.634 175.800 -0.397 0.000 1.088 55 F CA 0.482 58.237 58.000 -0.408 0.000 1.358 55 F CB -0.253 38.508 39.000 -0.398 0.000 1.040 55 F HN -0.157 nan 8.300 nan 0.000 0.505 56 I N -0.828 119.475 120.570 -0.446 0.000 2.233 56 I HA -0.285 3.885 4.170 -0.001 0.000 0.243 56 I C 2.501 178.330 176.117 -0.480 0.000 1.093 56 I CA 1.279 62.254 61.300 -0.542 0.000 1.380 56 I CB -0.687 37.097 38.000 -0.360 0.000 1.067 56 I HN -0.014 nan 8.210 nan 0.000 0.413 57 S N 0.891 116.363 115.700 -0.379 0.000 2.368 57 S HA -0.266 4.203 4.470 -0.001 0.000 0.226 57 S C 1.896 176.121 174.600 -0.625 0.000 1.044 57 S CA 1.867 59.715 58.200 -0.586 0.000 1.062 57 S CB -0.626 62.173 63.200 -0.669 0.000 0.931 57 S HN 0.422 nan 8.310 nan 0.000 0.440 58 F N 2.803 122.456 119.950 -0.495 0.000 2.063 58 F HA -0.256 4.271 4.527 -0.000 0.000 0.298 58 F C 2.703 178.283 175.800 -0.366 0.000 1.109 58 F CA 2.182 60.001 58.000 -0.301 0.000 1.212 58 F CB -1.196 37.377 39.000 -0.712 0.000 0.973 58 F HN 0.343 nan 8.300 nan 0.000 0.480 59 T N -3.541 110.586 114.554 -0.711 0.000 2.985 59 T HA -0.079 4.271 4.350 -0.001 0.000 0.266 59 T C 1.864 176.212 174.700 -0.588 0.000 1.076 59 T CA 1.341 62.978 62.100 -0.771 0.000 1.135 59 T CB -1.024 67.355 68.868 -0.815 0.000 0.890 59 T HN 0.297 nan 8.240 nan 0.000 0.480 60 T N 1.637 115.840 114.554 -0.585 0.000 2.652 60 T HA -0.163 4.186 4.350 -0.001 0.000 0.267 60 T C 1.810 176.235 174.700 -0.460 0.000 1.039 60 T CA 1.715 63.496 62.100 -0.531 0.000 1.153 60 T CB -0.509 67.988 68.868 -0.619 0.000 0.863 60 T HN 0.558 nan 8.240 nan 0.000 0.428 61 H N 0.640 119.522 119.070 -0.313 0.000 2.353 61 H HA 0.086 4.641 4.556 -0.001 0.000 0.300 61 H C 2.362 177.574 175.328 -0.193 0.000 1.090 61 H CA 1.081 56.997 56.048 -0.219 0.000 1.327 61 H CB -0.401 29.269 29.762 -0.152 0.000 1.383 61 H HN 0.281 nan 8.280 nan 0.000 0.508 62 M N 0.141 119.626 119.600 -0.192 0.000 2.296 62 M HA -0.097 4.383 4.480 -0.001 0.000 0.265 62 M C 2.261 178.549 176.300 -0.022 0.000 1.064 62 M CA 0.926 56.171 55.300 -0.091 0.000 1.109 62 M CB -0.582 31.749 32.600 -0.448 0.000 1.396 62 M HN 0.193 nan 8.290 nan 0.000 0.430 63 R N -0.110 120.255 120.500 -0.226 0.000 2.100 63 R HA -0.036 4.304 4.340 -0.001 0.000 0.220 63 R C 2.383 178.416 176.300 -0.445 0.000 1.091 63 R CA 0.726 56.611 56.100 -0.359 0.000 0.986 63 R CB -0.000 30.026 30.300 -0.455 0.000 0.888 63 R HN 0.254 nan 8.270 nan 0.000 0.444 64 R N 0.663 120.999 120.500 -0.273 0.000 2.081 64 R HA -0.106 4.234 4.340 -0.001 0.000 0.235 64 R C 2.151 178.410 176.300 -0.069 0.000 1.131 64 R CA 1.445 57.452 56.100 -0.156 0.000 0.960 64 R CB -0.260 29.990 30.300 -0.084 0.000 0.856 64 R HN 0.196 nan 8.270 nan 0.000 0.436 65 I N 0.697 121.241 120.570 -0.043 0.000 2.226 65 I HA -0.262 3.908 4.170 -0.001 0.000 0.245 65 I C 2.574 178.643 176.117 -0.080 0.000 1.100 65 I CA 1.438 62.687 61.300 -0.085 0.000 1.374 65 I CB -0.342 37.588 38.000 -0.117 0.000 1.057 65 I HN 0.267 nan 8.210 nan 0.000 0.413 66 A N -0.234 122.650 122.820 0.108 0.000 1.930 66 A HA -0.223 4.097 4.320 -0.001 0.000 0.217 66 A C 2.134 179.837 177.584 0.198 0.000 1.175 66 A CA 1.528 53.711 52.037 0.244 0.000 0.627 66 A CB -1.080 18.148 19.000 0.380 0.000 0.815 66 A HN 0.487 nan 8.150 nan 0.000 0.443 67 H N -0.210 118.869 119.070 0.015 0.000 2.326 67 H HA -0.104 4.451 4.556 -0.001 0.000 0.301 67 H C 2.702 178.011 175.328 -0.033 0.000 1.081 67 H CA 1.269 57.308 56.048 -0.014 0.000 1.334 67 H CB 0.076 29.823 29.762 -0.025 0.000 1.385 67 H HN 0.700 nan 8.280 nan 0.000 0.504 68 S N 1.261 117.011 115.700 0.083 0.000 2.442 68 S HA -0.127 4.342 4.470 -0.001 0.000 0.236 68 S C 1.690 176.271 174.600 -0.031 0.000 1.007 68 S CA 0.845 59.046 58.200 0.002 0.000 0.965 68 S CB -0.156 63.025 63.200 -0.033 0.000 0.773 68 S HN 0.353 nan 8.310 nan 0.000 0.504 69 R N 0.965 121.444 120.500 -0.035 0.000 2.426 69 R HA 0.309 4.648 4.340 -0.001 0.000 0.263 69 R C 0.179 176.474 176.300 -0.009 0.000 0.961 69 R CA 0.208 56.277 56.100 -0.051 0.000 1.086 69 R CB -0.467 29.770 30.300 -0.105 0.000 1.186 69 R HN 0.468 nan 8.270 nan 0.000 0.537 70 N N 1.911 120.613 118.700 0.003 0.000 2.725 70 N HA -0.224 4.515 4.740 -0.001 0.000 0.251 70 N C -1.305 174.213 175.510 0.012 0.000 1.031 70 N CA 0.887 53.934 53.050 -0.006 0.000 0.720 70 N CB -0.433 38.041 38.487 -0.020 0.000 0.930 70 N HN 0.406 nan 8.380 nan 0.000 0.543 71 Q N -0.358 119.477 119.800 0.058 0.000 2.413 71 Q HA 0.395 4.735 4.340 -0.001 0.000 0.276 71 Q C -1.214 174.849 176.000 0.104 0.000 1.099 71 Q CA -0.955 54.895 55.803 0.078 0.000 0.814 71 Q CB 1.433 30.259 28.738 0.146 0.000 1.379 71 Q HN 0.202 nan 8.270 nan 0.000 0.436 72 D N 1.467 121.882 120.400 0.026 0.000 2.264 72 D HA 0.432 5.071 4.640 -0.001 0.000 0.249 72 D C -1.071 175.194 176.300 -0.058 0.000 1.070 72 D CA -0.125 53.879 54.000 0.006 0.000 0.912 72 D CB 1.486 42.243 40.800 -0.072 0.000 1.193 72 D HN 0.250 nan 8.370 nan 0.000 0.427 73 L N 2.471 123.674 121.223 -0.034 0.000 2.436 73 L HA 0.452 4.791 4.340 -0.001 0.000 0.268 73 L C -1.661 175.131 176.870 -0.129 0.000 0.974 73 L CA -0.528 54.220 54.840 -0.153 0.000 0.826 73 L CB 1.464 43.458 42.059 -0.108 0.000 1.291 73 L HN 0.219 nan 8.230 nan 0.000 0.406 74 L N 5.211 126.331 121.223 -0.171 0.000 2.365 74 L HA 0.520 4.860 4.340 -0.001 0.000 0.273 74 L C -1.175 175.693 176.870 -0.003 0.000 1.000 74 L CA -0.845 53.974 54.840 -0.034 0.000 0.819 74 L CB 2.020 44.137 42.059 0.097 0.000 1.284 74 L HN 0.441 nan 8.230 nan 0.000 0.418 75 L N 4.270 125.476 121.223 -0.028 0.000 2.289 75 L HA 0.545 4.884 4.340 -0.001 0.000 0.285 75 L C -0.231 176.743 176.870 0.173 0.000 1.049 75 L CA 0.135 54.979 54.840 0.007 0.000 0.804 75 L CB 1.375 43.279 42.059 -0.258 0.000 1.195 75 L HN 0.346 nan 8.230 nan 0.000 0.428 76 I N 1.922 122.655 120.570 0.272 0.000 2.533 76 I HA 0.335 4.505 4.170 -0.001 0.000 0.290 76 I C -1.151 175.178 176.117 0.352 0.000 1.056 76 I CA -0.629 60.769 61.300 0.163 0.000 1.057 76 I CB 2.381 40.188 38.000 -0.322 0.000 1.240 76 I HN 0.519 nan 8.210 nan 0.000 0.423 77 D N 2.694 123.125 120.400 0.052 0.000 2.505 77 D HA 0.368 5.008 4.640 -0.001 0.000 0.249 77 D C -0.159 176.150 176.300 0.015 0.000 1.082 77 D CA -0.259 53.726 54.000 -0.026 0.000 0.839 77 D CB 1.929 42.492 40.800 -0.396 0.000 1.317 77 D HN 0.343 nan 8.370 nan 0.000 0.497 78 S N 1.794 117.579 115.700 0.142 0.000 2.582 78 S HA 0.539 5.008 4.470 -0.001 0.000 0.234 78 S C 0.554 175.277 174.600 0.205 0.000 0.961 78 S CA 0.081 58.413 58.200 0.219 0.000 0.953 78 S CB 0.048 63.493 63.200 0.407 0.000 0.800 78 S HN 0.874 nan 8.310 nan 0.000 0.471 79 G N 1.519 110.328 108.800 0.014 0.000 2.582 79 G HA2 0.006 3.966 3.960 -0.001 0.000 0.222 79 G HA3 0.006 3.966 3.960 -0.001 0.000 0.222 79 G C -1.390 173.377 174.900 -0.222 0.000 1.311 79 G CA -0.575 44.444 45.100 -0.136 0.000 0.915 79 G HN 0.187 nan 8.290 nan 0.000 0.528 80 D N -0.963 119.191 120.400 -0.411 0.000 3.620 80 D HA -0.119 4.521 4.640 -0.001 0.000 0.237 80 D C 1.161 177.116 176.300 -0.575 0.000 1.111 80 D CA 1.318 55.027 54.000 -0.485 0.000 1.070 80 D CB -0.324 40.216 40.800 -0.432 0.000 0.891 80 D HN 0.727 nan 8.370 nan 0.000 0.412 81 R N 1.142 121.387 120.500 -0.425 0.000 2.509 81 R HA 0.111 4.450 4.340 -0.001 0.000 0.300 81 R C 0.919 177.130 176.300 -0.149 0.000 0.985 81 R CA -0.104 55.807 56.100 -0.314 0.000 1.092 81 R CB 0.522 30.599 30.300 -0.373 0.000 1.237 81 R HN 0.612 nan 8.270 nan 0.000 0.546 82 H N -2.671 116.309 119.070 -0.150 0.000 2.928 82 H HA 0.277 4.832 4.556 -0.001 0.000 0.285 82 H C -1.134 174.201 175.328 0.013 0.000 1.438 82 H CA -0.850 55.136 56.048 -0.103 0.000 1.176 82 H CB 0.977 30.680 29.762 -0.099 0.000 1.864 82 H HN -0.192 nan 8.280 nan 0.000 0.567 83 D N -0.531 119.913 120.400 0.073 0.000 3.585 83 D HA -0.035 4.604 4.640 -0.001 0.000 0.251 83 D C 0.686 176.811 176.300 -0.293 0.000 1.065 83 D CA 1.835 55.769 54.000 -0.110 0.000 1.048 83 D CB -1.585 39.198 40.800 -0.029 0.000 0.952 83 D HN 1.122 nan 8.370 nan 0.000 0.421 84 G N 0.479 109.073 108.800 -0.343 0.000 4.199 84 G HA2 -0.027 3.933 3.960 -0.001 0.000 0.220 84 G HA3 -0.027 3.933 3.960 -0.001 0.000 0.220 84 G C -0.199 174.310 174.900 -0.650 0.000 0.841 84 G CA -0.022 44.820 45.100 -0.429 0.000 0.973 84 G HN 0.480 nan 8.290 nan 0.000 0.743 85 N N -0.523 117.813 118.700 -0.607 0.000 2.446 85 N HA 0.349 5.089 4.740 -0.001 0.000 0.272 85 N C 1.270 176.428 175.510 -0.588 0.000 1.127 85 N CA 0.282 52.848 53.050 -0.806 0.000 0.896 85 N CB 1.342 39.156 38.487 -1.121 0.000 1.658 85 N HN 0.134 nan 8.380 nan 0.000 0.483 86 G N 1.578 110.059 108.800 -0.533 0.000 2.442 86 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.219 86 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.219 86 G C 1.348 175.886 174.900 -0.603 0.000 1.141 86 G CA 0.769 45.474 45.100 -0.658 0.000 0.763 86 G HN 0.480 nan 8.290 nan 0.000 0.554 87 L N 1.754 122.699 121.223 -0.463 0.000 2.079 87 L HA -0.089 4.251 4.340 -0.001 0.000 0.210 87 L C 3.009 179.695 176.870 -0.306 0.000 1.081 87 L CA 2.636 57.278 54.840 -0.330 0.000 0.752 87 L CB -0.276 41.623 42.059 -0.268 0.000 0.896 87 L HN 0.355 nan 8.230 nan 0.000 0.433 88 S N -2.928 112.558 115.700 -0.357 0.000 2.483 88 S HA 0.043 4.513 4.470 -0.001 0.000 0.221 88 S C 1.379 175.778 174.600 -0.335 0.000 1.030 88 S CA 0.388 58.421 58.200 -0.278 0.000 0.925 88 S CB -0.227 62.852 63.200 -0.201 0.000 0.795 88 S HN 0.404 nan 8.310 nan 0.000 0.511 89 D N 1.142 121.252 120.400 -0.484 0.000 2.366 89 D HA 0.289 4.929 4.640 -0.001 0.000 0.205 89 D C 1.516 177.416 176.300 -0.667 0.000 1.022 89 D CA 0.053 53.757 54.000 -0.492 0.000 0.868 89 D CB -0.058 40.502 40.800 -0.400 0.000 0.953 89 D HN 0.388 nan 8.370 nan 0.000 0.514 90 I N 1.144 121.172 120.570 -0.903 0.000 2.676 90 I HA -0.088 4.082 4.170 -0.001 0.000 0.259 90 I C 0.454 176.410 176.117 -0.268 0.000 1.194 90 I CA 0.704 61.586 61.300 -0.697 0.000 1.473 90 I CB 0.140 37.769 38.000 -0.620 0.000 1.096 90 I HN -0.049 nan 8.210 nan 0.000 0.443 91 T N -0.843 113.562 114.554 -0.248 0.000 2.913 91 T HA 0.411 4.761 4.350 -0.001 0.000 0.287 91 T C -0.002 174.629 174.700 -0.116 0.000 1.008 91 T CA -0.649 61.361 62.100 -0.151 0.000 1.067 91 T CB 1.421 70.198 68.868 -0.151 0.000 0.996 91 T HN 0.223 nan 8.240 nan 0.000 0.513 92 S N 2.634 118.291 115.700 -0.072 0.000 2.530 92 S HA 0.606 5.075 4.470 -0.001 0.000 0.322 92 S C -2.436 172.128 174.600 -0.060 0.000 1.085 92 S CA -1.172 56.995 58.200 -0.055 0.000 1.096 92 S CB 0.586 63.779 63.200 -0.012 0.000 0.988 92 S HN 0.810 nan 8.310 nan 0.000 0.466 93 P HA 0.359 nan 4.420 nan 0.000 0.277 93 P C -0.661 176.536 177.300 -0.173 0.000 1.271 93 P CA -0.804 62.228 63.100 -0.112 0.000 0.795 93 P CB 0.397 32.022 31.700 -0.125 0.000 1.101 94 N N -0.523 118.034 118.700 -0.239 0.000 2.407 94 N HA 0.280 5.019 4.740 -0.001 0.000 0.250 94 N C 1.462 176.740 175.510 -0.387 0.000 1.236 94 N CA 1.737 54.575 53.050 -0.354 0.000 0.879 94 N CB -0.449 37.726 38.487 -0.520 0.000 1.088 94 N HN 0.802 nan 8.380 nan 0.000 0.450 95 G N 0.368 108.996 108.800 -0.288 0.000 2.175 95 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.244 95 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.244 95 G C 0.810 175.630 174.900 -0.133 0.000 0.982 95 G CA 0.260 45.243 45.100 -0.196 0.000 0.641 95 G HN 0.501 nan 8.290 nan 0.000 0.527 96 L N 0.085 121.224 121.223 -0.140 0.000 2.083 96 L HA 0.173 4.513 4.340 -0.001 0.000 0.209 96 L C 2.364 179.186 176.870 -0.081 0.000 1.083 96 L CA 2.677 57.455 54.840 -0.103 0.000 0.752 96 L CB -0.129 41.870 42.059 -0.101 0.000 0.899 96 L HN 0.265 nan 8.230 nan 0.000 0.433 97 K N -1.748 118.599 120.400 -0.087 0.000 2.367 97 K HA 0.217 4.537 4.320 -0.001 0.000 0.195 97 K C 2.049 178.625 176.600 -0.040 0.000 1.060 97 K CA 0.870 57.117 56.287 -0.065 0.000 1.022 97 K CB 0.480 32.934 32.500 -0.078 0.000 0.894 97 K HN 0.461 nan 8.250 nan 0.000 0.540 98 S N -0.023 115.657 115.700 -0.034 0.000 2.421 98 S HA -0.039 4.431 4.470 -0.001 0.000 0.224 98 S C 2.007 176.636 174.600 0.049 0.000 1.035 98 S CA 0.928 59.158 58.200 0.050 0.000 0.953 98 S CB -0.349 62.898 63.200 0.078 0.000 0.810 98 S HN 0.017 nan 8.310 nan 0.000 0.497 99 T N 3.973 118.538 114.554 0.019 0.000 2.665 99 T HA -0.020 4.330 4.350 -0.001 0.000 0.268 99 T C -0.692 174.016 174.700 0.014 0.000 1.035 99 T CA 1.908 64.030 62.100 0.036 0.000 1.151 99 T CB -1.532 67.342 68.868 0.010 0.000 0.862 99 T HN 0.397 nan 8.240 nan 0.000 0.438 100 P HA -0.021 nan 4.420 nan 0.000 0.216 100 P C 1.328 178.608 177.300 -0.033 0.000 1.150 100 P CA 0.962 64.032 63.100 -0.049 0.000 0.843 100 P CB -0.164 31.512 31.700 -0.039 0.000 0.787 101 I N -2.449 118.107 120.570 -0.024 0.000 2.233 101 I HA -0.208 3.961 4.170 -0.001 0.000 0.243 101 I C 2.210 178.262 176.117 -0.109 0.000 1.093 101 I CA 1.090 62.375 61.300 -0.024 0.000 1.380 101 I CB -0.601 37.391 38.000 -0.012 0.000 1.067 101 I HN -0.134 nan 8.210 nan 0.000 0.413 102 F N 2.559 122.202 119.950 -0.512 0.000 2.069 102 F HA -0.249 4.278 4.527 -0.001 0.000 0.298 102 F C 2.313 178.218 175.800 0.176 0.000 1.113 102 F CA 2.056 59.709 58.000 -0.578 0.000 1.214 102 F CB -0.396 38.248 39.000 -0.593 0.000 0.978 102 F HN 0.067 nan 8.300 nan 0.000 0.474 103 I N -1.537 119.072 120.570 0.064 0.000 3.083 103 I HA -0.146 4.024 4.170 -0.001 0.000 0.273 103 I C 1.634 177.691 176.117 -0.100 0.000 1.297 103 I CA 0.913 62.182 61.300 -0.051 0.000 1.452 103 I CB -0.575 37.114 38.000 -0.519 0.000 1.078 103 I HN 0.027 nan 8.210 nan 0.000 0.484 104 K N 1.199 121.602 120.400 0.004 0.000 2.283 104 K HA -0.050 4.269 4.320 -0.001 0.000 0.202 104 K C 0.970 177.582 176.600 0.020 0.000 1.048 104 K CA 0.596 56.899 56.287 0.027 0.000 0.948 104 K CB -0.316 32.231 32.500 0.079 0.000 0.742 104 K HN 0.459 nan 8.250 nan 0.000 0.458 105 Q N 1.602 121.443 119.800 0.069 0.000 2.327 105 Q HA -0.013 4.327 4.340 -0.001 0.000 0.254 105 Q C -0.756 175.199 176.000 -0.075 0.000 0.952 105 Q CA 0.256 55.966 55.803 -0.155 0.000 0.884 105 Q CB 1.144 29.723 28.738 -0.265 0.000 1.224 105 Q HN -0.109 nan 8.270 nan 0.000 0.422 106 D N 3.154 123.401 120.400 -0.255 0.000 2.896 106 D HA 0.082 4.722 4.640 -0.001 0.000 0.240 106 D C -0.957 175.253 176.300 -0.150 0.000 1.193 106 D CA -0.100 53.841 54.000 -0.099 0.000 0.983 106 D CB -0.710 39.983 40.800 -0.179 0.000 1.074 106 D HN 0.412 nan 8.370 nan 0.000 0.496 107 Y N 0.548 120.872 120.300 0.040 0.000 2.578 107 Y HA 0.053 4.603 4.550 -0.001 0.000 0.339 107 Y C 1.761 177.599 175.900 -0.104 0.000 1.231 107 Y CA 0.301 58.319 58.100 -0.137 0.000 1.461 107 Y CB 0.810 39.019 38.460 -0.418 0.000 1.323 107 Y HN 0.202 nan 8.280 nan 0.000 0.590 108 D N 1.405 121.826 120.400 0.034 0.000 2.379 108 D HA 0.159 4.799 4.640 -0.001 0.000 0.218 108 D C -0.290 175.936 176.300 -0.124 0.000 1.006 108 D CA 0.815 54.783 54.000 -0.052 0.000 0.893 108 D CB 0.680 41.455 40.800 -0.043 0.000 1.019 108 D HN 0.303 nan 8.370 nan 0.000 0.503 109 L N 1.145 122.316 121.223 -0.086 0.000 2.445 109 L HA 0.476 4.816 4.340 -0.001 0.000 0.262 109 L C -1.066 175.689 176.870 -0.190 0.000 0.974 109 L CA -0.735 54.014 54.840 -0.152 0.000 0.822 109 L CB 2.864 44.843 42.059 -0.134 0.000 1.339 109 L HN -0.125 nan 8.230 nan 0.000 0.409 110 L N -0.616 120.429 121.223 -0.297 0.000 2.568 110 L HA 0.913 5.252 4.340 -0.001 0.000 0.257 110 L C -1.032 175.455 176.870 -0.637 0.000 1.024 110 L CA -0.386 54.200 54.840 -0.423 0.000 0.854 110 L CB 2.390 44.134 42.059 -0.526 0.000 1.460 110 L HN 0.524 nan 8.230 nan 0.000 0.409 111 T N -0.016 114.181 114.554 -0.595 0.000 2.696 111 T HA 0.595 4.945 4.350 -0.001 0.000 0.291 111 T C -1.308 173.136 174.700 -0.426 0.000 1.095 111 T CA -0.557 61.182 62.100 -0.602 0.000 1.026 111 T CB 1.842 70.595 68.868 -0.192 0.000 1.390 111 T HN 0.689 nan 8.240 nan 0.000 0.513 112 I N 0.929 121.411 120.570 -0.147 0.000 2.488 112 I HA 0.697 4.866 4.170 -0.001 0.000 0.299 112 I C 0.613 176.652 176.117 -0.130 0.000 0.984 112 I CA -0.224 61.069 61.300 -0.012 0.000 1.250 112 I CB 1.209 39.290 38.000 0.134 0.000 1.389 112 I HN 0.733 nan 8.210 nan 0.000 0.488 113 G N 3.416 112.034 108.800 -0.303 0.000 2.667 113 G HA2 0.145 4.105 3.960 -0.001 0.000 0.310 113 G HA3 0.145 4.105 3.960 -0.001 0.000 0.310 113 G C 0.456 175.045 174.900 -0.518 0.000 1.259 113 G CA -0.538 44.127 45.100 -0.725 0.000 1.019 113 G HN 0.714 nan 8.290 nan 0.000 0.496 114 N N -0.871 117.458 118.700 -0.618 0.000 2.331 114 N HA -0.140 4.599 4.740 -0.001 0.000 0.180 114 N C 1.151 176.224 175.510 -0.727 0.000 1.019 114 N CA 0.984 53.461 53.050 -0.954 0.000 0.881 114 N CB -0.348 37.192 38.487 -1.578 0.000 0.972 114 N HN 0.611 nan 8.380 nan 0.000 0.435 115 H N 0.327 119.238 119.070 -0.264 0.000 2.546 115 H HA 0.068 4.624 4.556 -0.001 0.000 0.277 115 H C 0.613 175.875 175.328 -0.110 0.000 1.004 115 H CA 0.755 56.789 56.048 -0.024 0.000 1.231 115 H CB 0.405 30.134 29.762 -0.055 0.000 1.382 115 H HN 0.357 nan 8.280 nan 0.000 0.580 116 E N 0.161 120.323 120.200 -0.063 0.000 2.489 116 E HA 0.074 4.424 4.350 -0.001 0.000 0.193 116 E C 1.319 177.968 176.600 0.081 0.000 1.057 116 E CA 0.054 56.509 56.400 0.091 0.000 0.866 116 E CB 0.356 30.084 29.700 0.047 0.000 0.916 116 E HN 0.383 nan 8.360 nan 0.000 0.500 117 L N -1.288 119.944 121.223 0.015 0.000 2.920 117 L HA 0.176 4.516 4.340 -0.001 0.000 0.257 117 L C 0.823 177.788 176.870 0.159 0.000 1.150 117 L CA -0.051 54.841 54.840 0.087 0.000 0.959 117 L CB 0.227 42.359 42.059 0.121 0.000 1.321 117 L HN 0.126 nan 8.230 nan 0.000 0.555 118 Y N 0.605 121.028 120.300 0.205 0.000 2.242 118 Y HA 0.011 4.560 4.550 -0.000 0.000 0.291 118 Y C 1.028 177.020 175.900 0.152 0.000 1.137 118 Y CA 0.973 59.179 58.100 0.177 0.000 1.181 118 Y CB 0.181 38.689 38.460 0.080 0.000 0.989 118 Y HN -0.009 nan 8.280 nan 0.000 0.527 119 L N -1.334 120.072 121.223 0.304 0.000 2.362 119 L HA 0.060 4.400 4.340 -0.001 0.000 0.271 119 L C 0.901 177.904 176.870 0.222 0.000 1.002 119 L CA -0.783 54.200 54.840 0.239 0.000 0.818 119 L CB 1.718 43.885 42.059 0.181 0.000 1.298 119 L HN 0.318 nan 8.230 nan 0.000 0.420 120 W N 3.118 124.471 121.300 0.088 0.000 2.318 120 W HA -0.254 4.405 4.660 -0.001 0.000 0.313 120 W C 1.647 178.194 176.519 0.046 0.000 1.221 120 W CA 2.474 59.854 57.345 0.058 0.000 1.266 120 W CB 0.270 29.752 29.460 0.037 0.000 1.150 120 W HN 0.893 nan 8.180 nan 0.000 0.496 121 E N 0.116 120.225 120.200 -0.153 0.000 2.118 121 E HA -0.285 4.065 4.350 -0.001 0.000 0.195 121 E C 1.693 178.122 176.600 -0.284 0.000 0.992 121 E CA 1.663 57.906 56.400 -0.263 0.000 0.804 121 E CB -0.926 28.735 29.700 -0.066 0.000 0.741 121 E HN 0.199 nan 8.360 nan 0.000 0.458 122 N N 0.724 119.331 118.700 -0.154 0.000 2.171 122 N HA -0.053 4.687 4.740 -0.001 0.000 0.184 122 N C 1.933 177.367 175.510 -0.128 0.000 1.021 122 N CA 1.388 54.380 53.050 -0.096 0.000 0.854 122 N CB -0.253 38.288 38.487 0.090 0.000 0.994 122 N HN 0.150 nan 8.380 nan 0.000 0.426 123 S N 0.971 116.556 115.700 -0.191 0.000 2.368 123 S HA -0.104 4.366 4.470 -0.001 0.000 0.224 123 S C 1.887 176.250 174.600 -0.395 0.000 1.029 123 S CA 1.101 59.171 58.200 -0.216 0.000 0.988 123 S CB -0.076 63.045 63.200 -0.133 0.000 0.838 123 S HN 0.235 nan 8.310 nan 0.000 0.462 124 K N 1.767 121.684 120.400 -0.805 0.000 2.026 124 K HA -0.023 4.297 4.320 -0.001 0.000 0.208 124 K C 2.280 178.701 176.600 -0.299 0.000 1.048 124 K CA 1.336 57.189 56.287 -0.724 0.000 0.929 124 K CB -0.572 31.288 32.500 -1.067 0.000 0.713 124 K HN 0.137 nan 8.250 nan 0.000 0.439 125 Q N 0.387 120.024 119.800 -0.272 0.000 2.096 125 Q HA -0.248 4.091 4.340 -0.001 0.000 0.208 125 Q C 2.058 177.996 176.000 -0.103 0.000 0.993 125 Q CA 2.217 57.925 55.803 -0.158 0.000 0.862 125 Q CB -0.287 28.356 28.738 -0.159 0.000 0.915 125 Q HN 0.433 nan 8.270 nan 0.000 0.416 126 E N -0.214 119.933 120.200 -0.088 0.000 2.038 126 E HA -0.219 4.131 4.350 -0.001 0.000 0.195 126 E C 1.836 178.386 176.600 -0.083 0.000 1.000 126 E CA 1.473 57.843 56.400 -0.049 0.000 0.803 126 E CB -0.621 29.075 29.700 -0.007 0.000 0.750 126 E HN 0.390 nan 8.360 nan 0.000 0.448 127 Y N 0.926 121.099 120.300 -0.211 0.000 2.207 127 Y HA -0.176 4.374 4.550 -0.001 0.000 0.287 127 Y C 1.826 177.629 175.900 -0.162 0.000 1.156 127 Y CA 2.032 60.005 58.100 -0.212 0.000 1.182 127 Y CB 0.184 38.538 38.460 -0.177 0.000 0.979 127 Y HN 0.115 nan 8.280 nan 0.000 0.521 128 E N -1.322 118.824 120.200 -0.090 0.000 2.340 128 E HA -0.028 4.322 4.350 -0.001 0.000 0.194 128 E C 1.945 178.472 176.600 -0.122 0.000 0.996 128 E CA 1.244 57.571 56.400 -0.122 0.000 0.869 128 E CB 0.032 29.703 29.700 -0.047 0.000 0.835 128 E HN 0.666 nan 8.360 nan 0.000 0.493 129 T N -2.554 111.941 114.554 -0.098 0.000 3.205 129 T HA 0.080 4.429 4.350 -0.001 0.000 0.238 129 T C 2.140 176.827 174.700 -0.022 0.000 0.974 129 T CA 0.447 62.510 62.100 -0.061 0.000 1.246 129 T CB -0.592 68.246 68.868 -0.049 0.000 1.007 129 T HN -0.105 nan 8.240 nan 0.000 0.414 130 V N 2.235 122.160 119.914 0.019 0.000 2.283 130 V HA -0.080 4.040 4.120 -0.001 0.000 0.243 130 V C 2.984 179.176 176.094 0.162 0.000 1.039 130 V CA 1.565 63.979 62.300 0.191 0.000 1.016 130 V CB -0.800 31.191 31.823 0.280 0.000 0.650 130 V HN 0.385 nan 8.190 nan 0.000 0.449 131 V N 1.048 120.837 119.914 -0.208 0.000 2.332 131 V HA -0.298 3.822 4.120 -0.001 0.000 0.248 131 V C 2.347 178.314 176.094 -0.212 0.000 1.055 131 V CA 2.411 64.469 62.300 -0.403 0.000 1.038 131 V CB -1.058 30.343 31.823 -0.702 0.000 0.651 131 V HN 0.700 nan 8.190 nan 0.000 0.450 132 N N -0.146 118.409 118.700 -0.241 0.000 2.166 132 N HA -0.258 4.482 4.740 -0.001 0.000 0.186 132 N C 2.003 177.441 175.510 -0.119 0.000 1.019 132 N CA 1.965 54.892 53.050 -0.204 0.000 0.856 132 N CB -0.075 38.291 38.487 -0.202 0.000 0.993 132 N HN 0.725 nan 8.380 nan 0.000 0.426 133 H N -0.700 118.261 119.070 -0.180 0.000 2.326 133 H HA -0.003 4.553 4.556 -0.001 0.000 0.301 133 H C 0.153 175.294 175.328 -0.312 0.000 1.081 133 H CA 1.563 57.436 56.048 -0.292 0.000 1.334 133 H CB -0.142 29.360 29.762 -0.435 0.000 1.385 133 H HN 0.085 nan 8.280 nan 0.000 0.504 134 F N 1.393 121.382 119.950 0.066 0.000 2.894 134 F HA 0.197 4.724 4.527 -0.001 0.000 0.310 134 F C 1.700 177.502 175.800 0.003 0.000 1.204 134 F CA -0.175 57.856 58.000 0.052 0.000 1.290 134 F CB -0.055 39.089 39.000 0.239 0.000 1.317 134 F HN 0.272 nan 8.300 nan 0.000 0.545 135 Q N 1.141 120.958 119.800 0.028 0.000 2.062 135 Q HA -0.266 4.073 4.340 -0.001 0.000 0.209 135 Q C 1.233 177.237 176.000 0.006 0.000 0.996 135 Q CA 2.608 58.398 55.803 -0.022 0.000 0.859 135 Q CB 0.080 28.766 28.738 -0.086 0.000 0.920 135 Q HN 0.556 nan 8.270 nan 0.000 0.415 136 D N -1.550 118.845 120.400 -0.007 0.000 2.339 136 D HA 0.009 4.649 4.640 -0.001 0.000 0.217 136 D C 0.587 176.857 176.300 -0.050 0.000 1.050 136 D CA 0.372 54.349 54.000 -0.039 0.000 0.856 136 D CB 0.207 40.967 40.800 -0.066 0.000 0.922 136 D HN 0.212 nan 8.370 nan 0.000 0.518 137 K N -1.055 119.362 120.400 0.029 0.000 2.373 137 K HA 0.105 4.425 4.320 -0.001 0.000 0.200 137 K C -0.480 176.128 176.600 0.013 0.000 1.054 137 K CA -0.357 55.918 56.287 -0.021 0.000 1.065 137 K CB 0.587 33.102 32.500 0.025 0.000 0.886 137 K HN 0.135 nan 8.250 nan 0.000 0.546 138 Y N 1.670 121.960 120.300 -0.017 0.000 2.404 138 Y HA 0.229 4.778 4.550 -0.001 0.000 0.344 138 Y C -0.838 175.047 175.900 -0.025 0.000 0.970 138 Y CA -0.798 57.295 58.100 -0.012 0.000 1.180 138 Y CB 0.716 39.208 38.460 0.052 0.000 1.138 138 Y HN -0.328 nan 8.280 nan 0.000 0.510 139 V N 6.284 126.174 119.914 -0.039 0.000 2.409 139 V HA 0.314 4.433 4.120 -0.001 0.000 0.291 139 V C -0.801 175.294 176.094 0.002 0.000 1.020 139 V CA -0.802 61.502 62.300 0.006 0.000 0.848 139 V CB 1.248 33.052 31.823 -0.032 0.000 0.990 139 V HN 0.860 nan 8.190 nan 0.000 0.430 140 C N 3.697 123.042 119.300 0.076 0.000 2.432 140 C HA 0.471 4.930 4.460 -0.001 0.000 0.334 140 C C 1.462 176.465 174.990 0.022 0.000 1.155 140 C CA -0.184 58.871 59.018 0.061 0.000 1.335 140 C CB 1.312 29.139 27.740 0.146 0.000 1.964 140 C HN 0.971 nan 8.230 nan 0.000 0.444 141 S N 2.517 118.210 115.700 -0.012 0.000 2.486 141 S HA -0.022 4.448 4.470 -0.001 0.000 0.220 141 S C 1.263 175.954 174.600 0.152 0.000 1.011 141 S CA 0.582 58.819 58.200 0.062 0.000 0.921 141 S CB -0.080 63.138 63.200 0.029 0.000 0.785 141 S HN 0.928 nan 8.310 nan 0.000 0.517 142 N N 0.451 119.237 118.700 0.143 0.000 2.299 142 N HA 0.132 4.872 4.740 -0.001 0.000 0.246 142 N C -0.803 174.724 175.510 0.028 0.000 1.254 142 N CA -0.067 53.073 53.050 0.150 0.000 0.879 142 N CB 0.301 38.944 38.487 0.261 0.000 1.214 142 N HN 0.066 nan 8.380 nan 0.000 0.510 143 V N 0.678 120.597 119.914 0.008 0.000 2.531 143 V HA 0.408 4.527 4.120 -0.001 0.000 0.301 143 V C -1.010 175.080 176.094 -0.006 0.000 1.034 143 V CA -0.731 61.549 62.300 -0.034 0.000 0.865 143 V CB 1.947 33.765 31.823 -0.008 0.000 0.995 143 V HN 0.038 nan 8.190 nan 0.000 0.424 144 D N 3.069 123.467 120.400 -0.003 0.000 2.269 144 D HA 0.646 5.285 4.640 -0.001 0.000 0.244 144 D C -0.623 175.768 176.300 0.152 0.000 0.992 144 D CA -0.223 53.828 54.000 0.085 0.000 0.894 144 D CB 2.988 43.873 40.800 0.142 0.000 1.248 144 D HN 0.470 nan 8.370 nan 0.000 0.468 145 I N 0.198 120.815 120.570 0.077 0.000 2.646 145 I HA 0.324 4.494 4.170 -0.001 0.000 0.299 145 I C -0.410 175.502 176.117 -0.341 0.000 1.036 145 I CA -0.999 60.274 61.300 -0.045 0.000 1.074 145 I CB 1.859 39.728 38.000 -0.219 0.000 1.258 145 I HN 0.043 nan 8.210 nan 0.000 0.430 146 R N 6.879 127.018 120.500 -0.602 0.000 2.267 146 R HA 0.420 4.760 4.340 -0.001 0.000 0.319 146 R C -0.982 175.040 176.300 -0.464 0.000 1.067 146 R CA -0.452 55.022 56.100 -1.044 0.000 0.936 146 R CB 0.538 30.139 30.300 -1.164 0.000 1.006 146 R HN 0.614 nan 8.270 nan 0.000 0.452 147 L N 3.334 124.321 121.223 -0.393 0.000 2.472 147 L HA 0.007 4.347 4.340 -0.001 0.000 0.260 147 L C 1.151 177.918 176.870 -0.172 0.000 1.209 147 L CA -0.396 54.325 54.840 -0.198 0.000 0.817 147 L CB 0.628 42.607 42.059 -0.133 0.000 1.106 147 L HN 0.669 nan 8.230 nan 0.000 0.479 148 D N 0.539 120.894 120.400 -0.075 0.000 2.221 148 D HA -0.158 4.482 4.640 -0.001 0.000 0.204 148 D C 1.519 177.769 176.300 -0.083 0.000 0.982 148 D CA 1.227 55.187 54.000 -0.067 0.000 0.857 148 D CB -0.241 40.555 40.800 -0.006 0.000 0.934 148 D HN 0.589 nan 8.370 nan 0.000 0.475 149 N N -0.157 118.501 118.700 -0.070 0.000 2.521 149 N HA -0.014 4.726 4.740 -0.001 0.000 0.188 149 N C 1.390 176.860 175.510 -0.067 0.000 1.146 149 N CA 1.194 54.211 53.050 -0.055 0.000 0.893 149 N CB 0.074 38.544 38.487 -0.030 0.000 0.975 149 N HN 0.189 nan 8.380 nan 0.000 0.451 150 G N -1.154 107.573 108.800 -0.121 0.000 2.194 150 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.236 150 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.236 150 G C -0.376 174.482 174.900 -0.070 0.000 0.987 150 G CA 0.210 45.240 45.100 -0.116 0.000 0.635 150 G HN 0.298 nan 8.290 nan 0.000 0.520 151 L N 0.235 121.418 121.223 -0.065 0.000 2.439 151 L HA 0.801 5.141 4.340 -0.001 0.000 0.259 151 L C 0.302 177.132 176.870 -0.065 0.000 1.129 151 L CA -0.636 54.230 54.840 0.044 0.000 0.803 151 L CB 0.651 42.733 42.059 0.038 0.000 1.161 151 L HN 0.068 nan 8.230 nan 0.000 0.462 152 F N 0.682 120.609 119.950 -0.037 0.000 2.480 152 F HA 0.681 5.207 4.527 -0.001 0.000 0.329 152 F C 0.003 175.774 175.800 -0.048 0.000 1.091 152 F CA -0.704 57.267 58.000 -0.049 0.000 0.972 152 F CB 1.849 40.823 39.000 -0.043 0.000 1.150 152 F HN 0.183 nan 8.300 nan 0.000 0.467 153 V N 0.375 120.327 119.914 0.063 0.000 3.040 153 V HA 0.686 4.805 4.120 -0.001 0.000 0.312 153 V C -2.950 173.156 176.094 0.019 0.000 1.115 153 V CA -3.219 59.096 62.300 0.026 0.000 0.998 153 V CB 1.749 33.571 31.823 -0.003 0.000 1.042 153 V HN 0.415 nan 8.190 nan 0.000 0.433 154 P HA 0.210 nan 4.420 nan 0.000 0.268 154 P C -0.296 177.038 177.300 0.057 0.000 1.205 154 P CA 0.026 63.125 63.100 -0.001 0.000 0.771 154 P CB 0.392 32.056 31.700 -0.058 0.000 0.858 155 L N 3.568 124.831 121.223 0.068 0.000 2.395 155 L HA 0.373 4.712 4.340 -0.001 0.000 0.268 155 L C 0.860 177.837 176.870 0.179 0.000 1.223 155 L CA 0.681 55.602 54.840 0.136 0.000 1.093 155 L CB -1.415 40.703 42.059 0.100 0.000 1.349 155 L HN 0.742 nan 8.230 nan 0.000 0.427 156 G N 2.654 111.559 108.800 0.174 0.000 2.548 156 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.208 156 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.208 156 G C -0.815 174.133 174.900 0.081 0.000 1.308 156 G CA -0.749 44.432 45.100 0.135 0.000 0.924 156 G HN 0.346 nan 8.290 nan 0.000 0.540 157 L N 0.573 121.837 121.223 0.067 0.000 2.350 157 L HA 0.390 4.730 4.340 -0.001 0.000 0.275 157 L C 1.840 178.688 176.870 -0.037 0.000 1.099 157 L CA -0.522 54.302 54.840 -0.027 0.000 0.808 157 L CB 1.309 43.329 42.059 -0.064 0.000 1.149 157 L HN 0.738 nan 8.230 nan 0.000 0.442 158 K N 2.069 122.396 120.400 -0.121 0.000 2.217 158 K HA -0.033 4.286 4.320 -0.001 0.000 0.202 158 K C -0.672 176.087 176.600 0.264 0.000 1.051 158 K CA 1.009 57.201 56.287 -0.158 0.000 0.952 158 K CB 0.255 32.356 32.500 -0.664 0.000 0.736 158 K HN 0.560 nan 8.250 nan 0.000 0.453 159 Y N -2.263 118.109 120.300 0.120 0.000 2.677 159 Y HA 0.452 5.002 4.550 -0.001 0.000 0.334 159 Y C -1.708 174.193 175.900 0.002 0.000 1.196 159 Y CA -1.607 56.550 58.100 0.095 0.000 1.059 159 Y CB 1.079 39.649 38.460 0.184 0.000 1.315 159 Y HN -0.388 nan 8.280 nan 0.000 0.455 160 K N 2.093 122.511 120.400 0.029 0.000 2.471 160 K HA 0.430 4.750 4.320 -0.001 0.000 0.252 160 K C -2.449 174.286 176.600 0.225 0.000 0.938 160 K CA -0.840 55.449 56.287 0.003 0.000 0.796 160 K CB 1.812 34.273 32.500 -0.065 0.000 1.161 160 K HN 0.825 nan 8.250 nan 0.000 0.425 161 Y N 5.984 126.337 120.300 0.088 0.000 2.335 161 Y HA 0.495 5.045 4.550 -0.001 0.000 0.338 161 Y C -1.297 174.739 175.900 0.227 0.000 0.977 161 Y CA -0.521 57.621 58.100 0.070 0.000 1.114 161 Y CB 0.695 39.071 38.460 -0.140 0.000 1.182 161 Y HN 0.551 nan 8.280 nan 0.000 0.463 162 F N 1.811 121.418 119.950 -0.572 0.000 2.741 162 F HA 0.726 5.252 4.527 -0.001 0.000 0.313 162 F C -1.441 174.117 175.800 -0.403 0.000 1.153 162 F CA -0.984 56.801 58.000 -0.357 0.000 0.931 162 F CB 1.425 40.320 39.000 -0.175 0.000 1.335 162 F HN 0.412 nan 8.300 nan 0.000 0.460 163 T N -0.694 113.738 114.554 -0.203 0.000 2.824 163 T HA 0.558 4.908 4.350 -0.001 0.000 0.282 163 T C -0.293 174.356 174.700 -0.084 0.000 0.993 163 T CA -0.232 61.720 62.100 -0.247 0.000 0.967 163 T CB 1.184 69.968 68.868 -0.140 0.000 0.960 163 T HN 1.075 nan 8.240 nan 0.000 0.441 164 T N 1.586 116.057 114.554 -0.138 0.000 2.926 164 T HA 0.322 4.671 4.350 -0.001 0.000 0.307 164 T C -1.298 173.377 174.700 -0.041 0.000 1.059 164 T CA -1.212 60.866 62.100 -0.036 0.000 1.122 164 T CB 0.531 69.354 68.868 -0.076 0.000 0.972 164 T HN 0.508 nan 8.240 nan 0.000 0.545 165 P HA 0.100 nan 4.420 nan 0.000 0.231 165 P C 1.231 178.456 177.300 -0.125 0.000 1.168 165 P CA 0.285 63.342 63.100 -0.071 0.000 0.779 165 P CB 0.144 31.800 31.700 -0.072 0.000 0.844 166 I N -0.098 120.383 120.570 -0.148 0.000 2.729 166 I HA 0.073 4.243 4.170 -0.001 0.000 0.256 166 I C 2.025 178.082 176.117 -0.101 0.000 1.115 166 I CA 0.906 62.107 61.300 -0.165 0.000 1.446 166 I CB -0.614 37.261 38.000 -0.208 0.000 1.176 166 I HN -0.054 nan 8.210 nan 0.000 0.446 167 R N 0.368 120.817 120.500 -0.084 0.000 2.472 167 R HA 0.276 4.616 4.340 -0.001 0.000 0.279 167 R C 0.938 177.197 176.300 -0.068 0.000 0.953 167 R CA 0.441 56.500 56.100 -0.068 0.000 1.088 167 R CB 0.568 30.831 30.300 -0.061 0.000 1.197 167 R HN 0.375 nan 8.270 nan 0.000 0.536 168 G N 2.397 111.152 108.800 -0.076 0.000 2.321 168 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.287 168 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.287 168 G C 0.162 175.003 174.900 -0.099 0.000 1.018 168 G CA 0.162 45.216 45.100 -0.077 0.000 0.855 168 G HN 0.289 nan 8.290 nan 0.000 0.507 169 I N -0.098 120.395 120.570 -0.128 0.000 2.598 169 I HA 0.158 4.327 4.170 -0.001 0.000 0.284 169 I C 1.254 177.217 176.117 -0.257 0.000 1.140 169 I CA 0.039 61.245 61.300 -0.157 0.000 1.420 169 I CB 0.498 38.406 38.000 -0.154 0.000 1.387 169 I HN 0.089 nan 8.210 nan 0.000 0.553 170 R N 5.706 126.068 120.500 -0.230 0.000 2.196 170 R HA 0.463 4.803 4.340 -0.001 0.000 0.340 170 R C -0.709 175.332 176.300 -0.431 0.000 1.043 170 R CA -0.414 55.479 56.100 -0.346 0.000 0.883 170 R CB 1.356 31.571 30.300 -0.142 0.000 1.078 170 R HN 0.508 nan 8.270 nan 0.000 0.462 171 V N 4.588 124.052 119.914 -0.750 0.000 2.604 171 V HA 0.542 4.661 4.120 -0.001 0.000 0.305 171 V C -0.758 174.968 176.094 -0.615 0.000 1.043 171 V CA -0.953 60.944 62.300 -0.673 0.000 0.888 171 V CB 1.909 33.307 31.823 -0.708 0.000 0.995 171 V HN 0.791 nan 8.190 nan 0.000 0.429 172 M N 6.484 125.890 119.600 -0.323 0.000 2.294 172 M HA 0.844 5.324 4.480 -0.001 0.000 0.335 172 M C -0.504 175.613 176.300 -0.304 0.000 1.079 172 M CA -0.383 54.770 55.300 -0.245 0.000 0.982 172 M CB 1.478 33.918 32.600 -0.266 0.000 1.651 172 M HN 0.951 nan 8.290 nan 0.000 0.437 173 A N 4.572 127.248 122.820 -0.240 0.000 2.342 173 A HA 0.857 5.177 4.320 -0.001 0.000 0.323 173 A C -1.709 175.644 177.584 -0.385 0.000 1.125 173 A CA -0.474 51.436 52.037 -0.211 0.000 0.785 173 A CB 0.721 19.738 19.000 0.028 0.000 1.221 173 A HN 0.792 nan 8.150 nan 0.000 0.463 174 F N 0.489 120.452 119.950 0.021 0.000 2.598 174 F HA 0.746 5.273 4.527 -0.001 0.000 0.327 174 F C 0.823 176.498 175.800 -0.208 0.000 1.057 174 F CA -0.614 57.346 58.000 -0.066 0.000 0.957 174 F CB 2.567 41.507 39.000 -0.099 0.000 1.278 174 F HN 0.699 nan 8.300 nan 0.000 0.484 175 G N 0.953 109.650 108.800 -0.172 0.000 2.683 175 G HA2 0.631 4.591 3.960 -0.001 0.000 0.299 175 G HA3 0.631 4.591 3.960 -0.001 0.000 0.299 175 G C -2.156 172.590 174.900 -0.256 0.000 1.432 175 G CA -0.362 44.660 45.100 -0.131 0.000 0.978 175 G HN 0.279 nan 8.290 nan 0.000 0.513 176 F N 2.134 122.253 119.950 0.281 0.000 2.553 176 F HA 0.389 4.915 4.527 -0.001 0.000 0.335 176 F C -0.001 175.905 175.800 0.177 0.000 1.148 176 F CA -0.995 57.147 58.000 0.236 0.000 0.963 176 F CB 2.135 41.323 39.000 0.313 0.000 1.217 176 F HN 0.393 nan 8.300 nan 0.000 0.441 177 L N 5.347 126.737 121.223 0.279 0.000 2.439 177 L HA 0.411 4.751 4.340 -0.001 0.000 0.269 177 L C 0.120 177.064 176.870 0.124 0.000 1.179 177 L CA -0.327 54.605 54.840 0.153 0.000 0.828 177 L CB 0.093 42.155 42.059 0.005 0.000 1.106 177 L HN 0.461 nan 8.230 nan 0.000 0.467 178 F N 1.092 121.052 119.950 0.017 0.000 2.532 178 F HA 0.144 4.671 4.527 -0.000 0.000 0.323 178 F C 0.657 176.556 175.800 0.165 0.000 1.234 178 F CA -0.621 57.422 58.000 0.071 0.000 1.323 178 F CB -0.059 38.943 39.000 0.002 0.000 1.183 178 F HN 0.608 nan 8.300 nan 0.000 0.589 179 D N 1.916 122.491 120.400 0.292 0.000 2.541 179 D HA 0.016 4.656 4.640 -0.001 0.000 0.231 179 D C -0.996 175.338 176.300 0.057 0.000 1.163 179 D CA 0.068 54.141 54.000 0.122 0.000 1.077 179 D CB -1.123 39.762 40.800 0.141 0.000 1.110 179 D HN 0.412 nan 8.370 nan 0.000 0.499 180 F N 2.498 122.140 119.950 -0.513 0.000 2.404 180 F HA 0.315 4.842 4.527 -0.001 0.000 0.345 180 F C 0.896 176.680 175.800 -0.027 0.000 1.110 180 F CA -0.686 56.987 58.000 -0.546 0.000 1.130 180 F CB 1.279 39.679 39.000 -1.000 0.000 1.129 180 F HN -0.066 nan 8.300 nan 0.000 0.500 181 K N 4.698 124.804 120.400 -0.490 0.000 2.348 181 K HA 0.184 4.503 4.320 -0.001 0.000 0.194 181 K C 0.803 176.865 176.600 -0.897 0.000 1.052 181 K CA 0.482 56.487 56.287 -0.471 0.000 1.004 181 K CB 0.215 32.590 32.500 -0.208 0.000 0.873 181 K HN 0.650 nan 8.250 nan 0.000 0.523 182 R N 1.439 121.137 120.500 -1.337 0.000 2.702 182 R HA 0.173 4.513 4.340 -0.001 0.000 0.314 182 R C -0.308 175.516 176.300 -0.793 0.000 1.152 182 R CA -0.386 55.221 56.100 -0.821 0.000 1.097 182 R CB -0.316 29.896 30.300 -0.146 0.000 1.343 182 R HN 0.015 nan 8.270 nan 0.000 0.575 183 F N 0.397 119.871 119.950 -0.794 0.000 2.418 183 F HA 0.196 4.723 4.527 -0.000 0.000 0.341 183 F C 0.595 176.359 175.800 -0.061 0.000 1.120 183 F CA -1.848 56.008 58.000 -0.240 0.000 1.232 183 F CB 0.164 39.090 39.000 -0.122 0.000 1.175 183 F HN 0.017 nan 8.300 nan 0.000 0.569 184 N N -0.015 118.826 118.700 0.234 0.000 2.482 184 N HA 0.168 4.908 4.740 -0.001 0.000 0.260 184 N C 0.435 176.108 175.510 0.271 0.000 1.236 184 N CA -0.053 53.118 53.050 0.202 0.000 0.938 184 N CB 1.012 39.666 38.487 0.277 0.000 1.128 184 N HN 0.719 nan 8.380 nan 0.000 0.448 185 S N -0.749 115.051 115.700 0.167 0.000 2.607 185 S HA 0.072 4.541 4.470 -0.001 0.000 0.224 185 S C 1.552 176.282 174.600 0.217 0.000 0.969 185 S CA -0.028 58.282 58.200 0.182 0.000 0.927 185 S CB -0.590 62.656 63.200 0.077 0.000 0.772 185 S HN 0.789 nan 8.310 nan 0.000 0.533 186 G N 1.721 110.625 108.800 0.173 0.000 3.026 186 G HA2 0.296 4.255 3.960 -0.001 0.000 0.208 186 G HA3 0.296 4.255 3.960 -0.001 0.000 0.208 186 G C 0.463 175.551 174.900 0.313 0.000 1.169 186 G CA 0.550 45.676 45.100 0.043 0.000 0.788 186 G HN 0.664 nan 8.290 nan 0.000 0.533 187 T N -2.955 111.859 114.554 0.434 0.000 2.887 187 T HA 0.781 5.131 4.350 -0.001 0.000 0.292 187 T C -1.079 173.784 174.700 0.272 0.000 1.087 187 T CA -1.082 61.244 62.100 0.376 0.000 1.009 187 T CB 2.960 71.973 68.868 0.242 0.000 1.203 187 T HN -0.105 nan 8.240 nan 0.000 0.518 188 R N 0.781 121.259 120.500 -0.036 0.000 2.538 188 R HA 0.652 4.991 4.340 -0.001 0.000 0.292 188 R C -1.414 174.499 176.300 -0.646 0.000 1.008 188 R CA -0.728 55.119 56.100 -0.422 0.000 0.896 188 R CB 1.952 32.087 30.300 -0.274 0.000 1.187 188 R HN 0.654 nan 8.270 nan 0.000 0.440 189 V N 2.395 121.577 119.914 -1.220 0.000 2.435 189 V HA 0.503 4.622 4.120 -0.001 0.000 0.290 189 V C 0.153 176.030 176.094 -0.362 0.000 1.030 189 V CA -0.497 61.400 62.300 -0.671 0.000 0.881 189 V CB 2.049 33.492 31.823 -0.634 0.000 0.983 189 V HN 0.675 nan 8.190 nan 0.000 0.445 190 T N 6.755 121.211 114.554 -0.163 0.000 2.797 190 T HA 0.431 4.781 4.350 -0.001 0.000 0.279 190 T C -2.696 171.982 174.700 -0.037 0.000 0.991 190 T CA -1.389 60.668 62.100 -0.072 0.000 0.979 190 T CB 1.763 70.616 68.868 -0.025 0.000 0.943 190 T HN 0.398 nan 8.240 nan 0.000 0.444 191 P HA 0.035 nan 4.420 nan 0.000 0.265 191 P C 1.334 178.580 177.300 -0.089 0.000 1.193 191 P CA -0.127 62.949 63.100 -0.041 0.000 0.765 191 P CB 0.345 32.021 31.700 -0.040 0.000 0.823 192 M N 2.571 122.094 119.600 -0.129 0.000 2.267 192 M HA -0.171 4.309 4.480 -0.001 0.000 0.263 192 M C 1.527 177.547 176.300 -0.466 0.000 1.063 192 M CA 2.386 57.467 55.300 -0.365 0.000 1.090 192 M CB -1.063 31.138 32.600 -0.666 0.000 1.392 192 M HN 0.223 nan 8.290 nan 0.000 0.422 193 A N 0.915 123.552 122.820 -0.305 0.000 2.019 193 A HA -0.124 4.196 4.320 -0.001 0.000 0.219 193 A C 1.918 179.310 177.584 -0.320 0.000 1.164 193 A CA 1.800 53.660 52.037 -0.296 0.000 0.644 193 A CB -0.545 18.370 19.000 -0.142 0.000 0.805 193 A HN 0.758 nan 8.150 nan 0.000 0.449 194 E N -1.357 118.711 120.200 -0.220 0.000 2.216 194 E HA -0.039 4.311 4.350 -0.001 0.000 0.192 194 E C 1.840 178.312 176.600 -0.214 0.000 0.973 194 E CA 0.942 57.258 56.400 -0.141 0.000 0.851 194 E CB -0.132 29.538 29.700 -0.050 0.000 0.804 194 E HN 0.497 nan 8.360 nan 0.000 0.477 195 T N 2.498 116.908 114.554 -0.240 0.000 2.803 195 T HA -0.144 4.206 4.350 -0.001 0.000 0.269 195 T C 2.060 176.406 174.700 -0.589 0.000 1.052 195 T CA 1.204 63.185 62.100 -0.197 0.000 1.136 195 T CB -0.315 68.557 68.868 0.006 0.000 0.864 195 T HN 0.330 nan 8.240 nan 0.000 0.467 196 I N -1.002 118.986 120.570 -0.969 0.000 2.676 196 I HA -0.057 4.113 4.170 -0.001 0.000 0.259 196 I C 1.733 177.245 176.117 -1.008 0.000 1.194 196 I CA 1.390 61.803 61.300 -1.479 0.000 1.473 196 I CB -0.549 36.514 38.000 -1.561 0.000 1.096 196 I HN 0.196 nan 8.210 nan 0.000 0.443 197 H N 1.821 120.595 119.070 -0.493 0.000 2.526 197 H HA 0.361 4.916 4.556 -0.001 0.000 0.274 197 H C -0.053 175.203 175.328 -0.120 0.000 0.999 197 H CA -0.103 55.800 56.048 -0.243 0.000 1.157 197 H CB -0.174 29.492 29.762 -0.160 0.000 1.407 197 H HN 0.571 nan 8.280 nan 0.000 0.568 198 E N 1.966 122.120 120.200 -0.076 0.000 2.313 198 E HA 0.051 4.401 4.350 -0.001 0.000 0.276 198 E C -1.461 175.128 176.600 -0.017 0.000 1.031 198 E CA -1.972 54.438 56.400 0.017 0.000 0.857 198 E CB 1.173 30.955 29.700 0.137 0.000 1.040 198 E HN 0.019 nan 8.360 nan 0.000 0.408 199 P HA -0.277 nan 4.420 nan 0.000 0.222 199 P C 1.316 178.682 177.300 0.111 0.000 1.159 199 P CA 1.725 64.892 63.100 0.112 0.000 0.920 199 P CB -0.354 31.442 31.700 0.160 0.000 0.793 200 W N -0.526 120.866 121.300 0.153 0.000 2.350 200 W HA -0.158 4.502 4.660 -0.001 0.000 0.289 200 W C 1.934 178.569 176.519 0.194 0.000 1.215 200 W CA 0.410 57.863 57.345 0.180 0.000 1.236 200 W CB -1.885 27.700 29.460 0.209 0.000 1.130 200 W HN -0.075 nan 8.180 nan 0.000 0.541 201 F N 2.795 122.053 119.950 -1.153 0.000 2.163 201 F HA -0.198 4.329 4.527 -0.000 0.000 0.297 201 F C 2.748 178.215 175.800 -0.555 0.000 1.094 201 F CA 2.120 59.335 58.000 -1.308 0.000 1.290 201 F CB -0.286 37.898 39.000 -1.361 0.000 1.017 201 F HN -0.248 nan 8.300 nan 0.000 0.483 202 Q N 0.487 120.115 119.800 -0.287 0.000 2.084 202 Q HA -0.196 4.143 4.340 -0.001 0.000 0.202 202 Q C 1.934 177.837 176.000 -0.161 0.000 0.978 202 Q CA 1.377 57.057 55.803 -0.204 0.000 0.844 202 Q CB -0.836 27.893 28.738 -0.014 0.000 0.898 202 Q HN 0.459 nan 8.270 nan 0.000 0.426 203 E N 0.849 121.000 120.200 -0.080 0.000 2.153 203 E HA -0.063 4.287 4.350 -0.001 0.000 0.194 203 E C 1.865 178.435 176.600 -0.050 0.000 0.988 203 E CA 1.125 57.518 56.400 -0.011 0.000 0.811 203 E CB -0.184 29.578 29.700 0.103 0.000 0.746 203 E HN 0.379 nan 8.360 nan 0.000 0.466 204 A N 0.869 123.593 122.820 -0.161 0.000 2.014 204 A HA -0.038 4.282 4.320 -0.001 0.000 0.218 204 A C 2.173 179.675 177.584 -0.137 0.000 1.163 204 A CA 0.514 52.369 52.037 -0.303 0.000 0.652 204 A CB -0.448 18.185 19.000 -0.611 0.000 0.808 204 A HN 0.175 nan 8.150 nan 0.000 0.449 205 L N -0.805 120.287 121.223 -0.218 0.000 2.622 205 L HA -0.043 4.296 4.340 -0.001 0.000 0.233 205 L C 1.770 178.728 176.870 0.146 0.000 1.156 205 L CA 0.638 55.481 54.840 0.005 0.000 0.866 205 L CB -0.290 41.606 42.059 -0.271 0.000 0.980 205 L HN 0.362 nan 8.230 nan 0.000 0.448 206 K N -1.152 119.262 120.400 0.023 0.000 2.418 206 K HA 0.032 4.351 4.320 -0.001 0.000 0.195 206 K C 0.182 176.739 176.600 -0.071 0.000 1.035 206 K CA 0.018 56.278 56.287 -0.046 0.000 1.003 206 K CB 0.041 32.472 32.500 -0.116 0.000 0.793 206 K HN 0.327 nan 8.250 nan 0.000 0.494 207 H N 1.274 120.351 119.070 0.010 0.000 2.771 207 H HA 0.046 4.601 4.556 -0.001 0.000 0.364 207 H C 0.037 175.453 175.328 0.147 0.000 1.133 207 H CA 0.316 56.349 56.048 -0.025 0.000 1.423 207 H CB 0.600 30.278 29.762 -0.141 0.000 1.425 207 H HN -0.101 nan 8.280 nan 0.000 0.606 208 E N 1.936 122.291 120.200 0.258 0.000 2.146 208 E HA 0.295 4.645 4.350 -0.001 0.000 0.282 208 E C -0.716 176.089 176.600 0.341 0.000 0.989 208 E CA -0.553 56.005 56.400 0.263 0.000 0.799 208 E CB 1.399 31.190 29.700 0.152 0.000 1.088 208 E HN 0.387 nan 8.360 nan 0.000 0.397 209 V N -0.305 119.793 119.914 0.306 0.000 2.789 209 V HA 0.394 4.514 4.120 -0.001 0.000 0.311 209 V C 0.181 176.338 176.094 0.105 0.000 1.073 209 V CA -0.871 61.538 62.300 0.182 0.000 0.921 209 V CB 2.181 34.061 31.823 0.095 0.000 1.009 209 V HN 0.312 nan 8.190 nan 0.000 0.426 210 D N 1.620 122.030 120.400 0.016 0.000 2.271 210 D HA 0.251 4.891 4.640 -0.001 0.000 0.206 210 D C 0.097 176.392 176.300 -0.009 0.000 0.967 210 D CA 1.149 55.151 54.000 0.003 0.000 0.867 210 D CB 0.889 41.669 40.800 -0.034 0.000 0.960 210 D HN 0.460 nan 8.370 nan 0.000 0.509 211 L N 0.389 121.578 121.223 -0.057 0.000 2.513 211 L HA 0.399 4.739 4.340 -0.001 0.000 0.261 211 L C -1.841 174.957 176.870 -0.120 0.000 0.945 211 L CA -0.567 54.240 54.840 -0.054 0.000 0.848 211 L CB 2.168 44.208 42.059 -0.031 0.000 1.334 211 L HN -0.235 nan 8.230 nan 0.000 0.407 212 I N 5.639 126.135 120.570 -0.125 0.000 2.378 212 I HA 0.460 4.630 4.170 -0.001 0.000 0.291 212 I C -0.554 175.460 176.117 -0.173 0.000 0.992 212 I CA -0.498 60.686 61.300 -0.192 0.000 1.154 212 I CB 1.655 39.500 38.000 -0.259 0.000 1.315 212 I HN 0.476 nan 8.210 nan 0.000 0.448 213 I N 6.731 127.215 120.570 -0.142 0.000 2.339 213 I HA 0.339 4.508 4.170 -0.001 0.000 0.290 213 I C -0.397 175.636 176.117 -0.139 0.000 0.994 213 I CA -0.606 60.627 61.300 -0.111 0.000 1.191 213 I CB 1.415 39.429 38.000 0.023 0.000 1.343 213 I HN 0.307 nan 8.210 nan 0.000 0.458 214 I N 7.792 128.186 120.570 -0.294 0.000 2.337 214 I HA 0.204 4.374 4.170 -0.001 0.000 0.285 214 I C 0.219 176.301 176.117 -0.057 0.000 1.041 214 I CA -0.580 60.594 61.300 -0.210 0.000 1.199 214 I CB 1.143 38.789 38.000 -0.590 0.000 1.370 214 I HN 0.251 nan 8.210 nan 0.000 0.470 215 V N 3.388 123.357 119.914 0.092 0.000 2.686 215 V HA 1.034 5.154 4.120 -0.001 0.000 0.295 215 V C 0.273 176.562 176.094 0.324 0.000 1.057 215 V CA -0.142 62.264 62.300 0.176 0.000 1.012 215 V CB 1.303 33.163 31.823 0.061 0.000 1.006 215 V HN 0.894 nan 8.190 nan 0.000 0.477 216 G N 1.796 110.867 108.800 0.452 0.000 2.752 216 G HA2 0.387 4.346 3.960 -0.001 0.000 0.298 216 G HA3 0.387 4.346 3.960 -0.001 0.000 0.298 216 G C -1.498 173.641 174.900 0.397 0.000 1.434 216 G CA -0.790 44.640 45.100 0.550 0.000 1.004 216 G HN 1.247 nan 8.290 nan 0.000 0.560 217 H N 1.171 120.362 119.070 0.202 0.000 2.998 217 H HA 0.562 5.118 4.556 -0.001 0.000 0.241 217 H C -0.192 175.191 175.328 0.093 0.000 1.852 217 H CA 0.830 56.962 56.048 0.141 0.000 1.419 217 H CB -0.002 29.815 29.762 0.093 0.000 1.793 217 H HN 0.352 nan 8.280 nan 0.000 0.553 218 T N 4.863 119.297 114.554 -0.199 0.000 3.105 218 T HA 0.226 4.576 4.350 -0.001 0.000 0.321 218 T C -2.888 171.476 174.700 -0.559 0.000 1.135 218 T CA -1.352 60.448 62.100 -0.501 0.000 1.053 218 T CB 1.986 70.408 68.868 -0.743 0.000 1.133 218 T HN 0.209 nan 8.240 nan 0.000 0.463 219 P HA 0.246 nan 4.420 nan 0.000 0.268 219 P C 0.995 178.139 177.300 -0.260 0.000 1.204 219 P CA -0.424 62.343 63.100 -0.555 0.000 0.768 219 P CB 0.276 31.526 31.700 -0.750 0.000 0.842 220 I N -0.269 120.280 120.570 -0.036 0.000 3.251 220 I HA 0.047 4.216 4.170 -0.001 0.000 0.277 220 I C 0.879 176.916 176.117 -0.134 0.000 1.268 220 I CA 0.194 61.550 61.300 0.093 0.000 1.449 220 I CB -0.277 37.757 38.000 0.056 0.000 1.083 220 I HN 0.160 nan 8.210 nan 0.000 0.464 221 S N 1.264 116.887 115.700 -0.127 0.000 2.561 221 S HA -0.086 4.383 4.470 -0.001 0.000 0.294 221 S C 1.300 175.818 174.600 -0.136 0.000 1.294 221 S CA -0.013 58.098 58.200 -0.148 0.000 1.055 221 S CB 0.134 63.323 63.200 -0.019 0.000 0.819 221 S HN 0.432 nan 8.310 nan 0.000 0.503 222 H N 4.013 123.021 119.070 -0.104 0.000 2.457 222 H HA -0.006 4.550 4.556 -0.001 0.000 0.294 222 H C 1.734 177.010 175.328 -0.087 0.000 1.064 222 H CA 1.178 57.141 56.048 -0.141 0.000 1.330 222 H CB -0.159 29.471 29.762 -0.221 0.000 1.395 222 H HN 0.593 nan 8.280 nan 0.000 0.541 223 N N 0.199 118.938 118.700 0.065 0.000 2.309 223 N HA -0.156 4.583 4.740 -0.001 0.000 0.182 223 N C 1.903 177.443 175.510 0.050 0.000 1.018 223 N CA 0.381 53.453 53.050 0.037 0.000 0.876 223 N CB -0.188 38.325 38.487 0.043 0.000 0.972 223 N HN 0.509 nan 8.380 nan 0.000 0.434 224 W N 0.957 122.213 121.300 -0.073 0.000 2.452 224 W HA -0.036 4.623 4.660 -0.001 0.000 0.313 224 W C 1.149 177.637 176.519 -0.053 0.000 1.176 224 W CA 2.088 59.382 57.345 -0.085 0.000 1.350 224 W CB -0.140 29.251 29.460 -0.115 0.000 1.148 224 W HN 0.247 nan 8.180 nan 0.000 0.498 225 G N 0.446 109.357 108.800 0.184 0.000 2.175 225 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.244 225 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.244 225 G C 0.883 175.895 174.900 0.186 0.000 0.982 225 G CA 0.558 45.731 45.100 0.121 0.000 0.641 225 G HN 0.444 nan 8.290 nan 0.000 0.527 226 E N -0.716 119.621 120.200 0.229 0.000 2.051 226 E HA 0.092 4.442 4.350 -0.001 0.000 0.189 226 E C 1.992 178.727 176.600 0.226 0.000 0.979 226 E CA 0.748 57.244 56.400 0.159 0.000 0.803 226 E CB -0.137 29.660 29.700 0.161 0.000 0.761 226 E HN 0.405 nan 8.360 nan 0.000 0.451 227 F N 0.309 120.404 119.950 0.241 0.000 2.161 227 F HA -0.204 4.323 4.527 -0.000 0.000 0.300 227 F C 2.241 178.180 175.800 0.231 0.000 1.089 227 F CA 0.852 58.956 58.000 0.173 0.000 1.282 227 F CB -0.997 38.058 39.000 0.092 0.000 1.010 227 F HN 0.125 nan 8.300 nan 0.000 0.485 228 Y N 1.015 121.588 120.300 0.455 0.000 2.114 228 Y HA -0.321 4.229 4.550 -0.000 0.000 0.282 228 Y C 2.489 178.568 175.900 0.298 0.000 1.165 228 Y CA 2.181 60.527 58.100 0.409 0.000 1.148 228 Y CB -0.550 38.078 38.460 0.279 0.000 0.972 228 Y HN 0.132 nan 8.280 nan 0.000 0.504 229 Q N -1.100 118.874 119.800 0.289 0.000 2.167 229 Q HA -0.152 4.188 4.340 -0.001 0.000 0.202 229 Q C 2.279 178.313 176.000 0.057 0.000 0.970 229 Q CA 1.642 57.528 55.803 0.137 0.000 0.855 229 Q CB -0.141 28.659 28.738 0.104 0.000 0.911 229 Q HN 0.398 nan 8.270 nan 0.000 0.438 230 V N -0.148 119.806 119.914 0.066 0.000 2.453 230 V HA -0.239 3.881 4.120 -0.001 0.000 0.247 230 V C 1.963 178.157 176.094 0.167 0.000 1.048 230 V CA 1.999 64.315 62.300 0.025 0.000 1.049 230 V CB -0.506 31.309 31.823 -0.012 0.000 0.672 230 V HN 0.394 nan 8.190 nan 0.000 0.457 231 H N 0.211 119.329 119.070 0.079 0.000 2.357 231 H HA -0.119 4.437 4.556 -0.001 0.000 0.301 231 H C 2.389 177.729 175.328 0.020 0.000 1.082 231 H CA 1.653 57.732 56.048 0.052 0.000 1.342 231 H CB 0.083 29.823 29.762 -0.037 0.000 1.389 231 H HN 0.294 nan 8.280 nan 0.000 0.511 232 Q N -0.517 119.227 119.800 -0.093 0.000 2.096 232 Q HA -0.215 4.125 4.340 -0.001 0.000 0.204 232 Q C 2.137 178.158 176.000 0.034 0.000 0.982 232 Q CA 1.710 57.456 55.803 -0.095 0.000 0.850 232 Q CB -0.882 27.812 28.738 -0.074 0.000 0.901 232 Q HN 0.626 nan 8.270 nan 0.000 0.422 233 Y N 0.737 121.043 120.300 0.010 0.000 2.263 233 Y HA -0.086 4.464 4.550 -0.001 0.000 0.292 233 Y C 2.091 178.118 175.900 0.211 0.000 1.130 233 Y CA 0.947 59.118 58.100 0.118 0.000 1.179 233 Y CB -0.057 38.438 38.460 0.057 0.000 0.998 233 Y HN -0.003 nan 8.280 nan 0.000 0.532 234 L N -0.514 120.862 121.223 0.256 0.000 2.156 234 L HA -0.157 4.183 4.340 -0.001 0.000 0.208 234 L C 2.374 179.362 176.870 0.197 0.000 1.095 234 L CA 0.742 55.725 54.840 0.239 0.000 0.770 234 L CB -0.366 41.780 42.059 0.146 0.000 0.914 234 L HN 0.090 nan 8.230 nan 0.000 0.439 235 R N 0.084 120.574 120.500 -0.017 0.000 2.189 235 R HA -0.100 4.240 4.340 -0.001 0.000 0.218 235 R C 2.062 178.364 176.300 0.005 0.000 1.074 235 R CA 0.816 56.888 56.100 -0.048 0.000 0.991 235 R CB -0.288 29.897 30.300 -0.192 0.000 0.883 235 R HN 0.529 nan 8.270 nan 0.000 0.457 236 Q N -1.143 118.656 119.800 -0.001 0.000 2.170 236 Q HA -0.101 4.238 4.340 -0.001 0.000 0.203 236 Q C 1.210 177.057 176.000 -0.255 0.000 0.976 236 Q CA 1.435 57.151 55.803 -0.144 0.000 0.858 236 Q CB 0.050 28.641 28.738 -0.246 0.000 0.907 236 Q HN 0.310 nan 8.270 nan 0.000 0.433 237 F N -2.417 117.448 119.950 -0.142 0.000 2.653 237 F HA 0.147 4.674 4.527 -0.001 0.000 0.288 237 F C 0.323 175.842 175.800 -0.467 0.000 1.121 237 F CA -0.049 57.789 58.000 -0.269 0.000 1.384 237 F CB 0.826 39.715 39.000 -0.186 0.000 1.115 237 F HN -0.136 nan 8.300 nan 0.000 0.599 238 F N 1.176 121.192 119.950 0.110 0.000 2.584 238 F HA 0.333 4.860 4.527 -0.001 0.000 0.328 238 F C -1.911 173.905 175.800 0.026 0.000 1.407 238 F CA -1.910 56.127 58.000 0.063 0.000 1.145 238 F CB 0.472 39.514 39.000 0.069 0.000 1.440 238 F HN -0.228 nan 8.300 nan 0.000 0.580 239 P HA -0.067 nan 4.420 nan 0.000 0.229 239 P C -0.116 177.237 177.300 0.089 0.000 1.160 239 P CA 1.180 64.316 63.100 0.059 0.000 0.777 239 P CB 0.126 31.828 31.700 0.002 0.000 0.814 240 D N -2.303 118.162 120.400 0.109 0.000 2.837 240 D HA 0.122 4.762 4.640 -0.001 0.000 0.340 240 D C -0.518 175.865 176.300 0.137 0.000 1.451 240 D CA -0.412 53.656 54.000 0.113 0.000 0.798 240 D CB -0.502 40.346 40.800 0.080 0.000 1.169 240 D HN -0.201 nan 8.370 nan 0.000 0.449 241 T N 0.541 115.202 114.554 0.178 0.000 2.867 241 T HA 0.420 4.770 4.350 -0.001 0.000 0.282 241 T C 0.568 175.357 174.700 0.149 0.000 1.000 241 T CA -0.609 61.592 62.100 0.168 0.000 1.042 241 T CB 1.393 70.392 68.868 0.220 0.000 0.973 241 T HN 0.103 nan 8.240 nan 0.000 0.465 242 I N 3.260 123.907 120.570 0.129 0.000 2.587 242 I HA 0.151 4.320 4.170 -0.001 0.000 0.284 242 I C 0.013 176.193 176.117 0.105 0.000 1.134 242 I CA 0.329 61.731 61.300 0.169 0.000 1.410 242 I CB 0.026 38.119 38.000 0.155 0.000 1.392 242 I HN 0.427 nan 8.210 nan 0.000 0.545 243 I N 6.598 127.232 120.570 0.107 0.000 2.382 243 I HA 0.262 4.432 4.170 -0.001 0.000 0.285 243 I C -0.272 175.739 176.117 -0.178 0.000 1.007 243 I CA -0.710 60.548 61.300 -0.071 0.000 1.142 243 I CB 1.358 39.330 38.000 -0.046 0.000 1.289 243 I HN 0.489 nan 8.210 nan 0.000 0.453 244 Q N 5.848 125.480 119.800 -0.281 0.000 2.290 244 Q HA 0.424 4.764 4.340 -0.001 0.000 0.259 244 Q C -1.721 173.835 176.000 -0.741 0.000 0.941 244 Q CA -0.298 55.242 55.803 -0.439 0.000 0.912 244 Q CB 1.079 29.593 28.738 -0.373 0.000 1.244 244 Q HN 0.408 nan 8.270 nan 0.000 0.441 245 Y N 2.977 122.771 120.300 -0.843 0.000 2.361 245 Y HA 0.556 5.106 4.550 -0.000 0.000 0.332 245 Y C -0.675 174.620 175.900 -1.008 0.000 1.101 245 Y CA -0.586 57.013 58.100 -0.835 0.000 1.137 245 Y CB 1.205 39.119 38.460 -0.910 0.000 1.207 245 Y HN 0.494 nan 8.280 nan 0.000 0.463 246 F N 1.485 121.282 119.950 -0.255 0.000 2.496 246 F HA 0.604 5.130 4.527 -0.001 0.000 0.341 246 F C 0.513 176.345 175.800 0.053 0.000 1.134 246 F CA -0.829 56.991 58.000 -0.301 0.000 0.968 246 F CB 1.333 39.956 39.000 -0.628 0.000 1.205 246 F HN 0.571 nan 8.300 nan 0.000 0.436 247 G N 0.550 109.545 108.800 0.324 0.000 2.795 247 G HA2 0.811 4.770 3.960 -0.001 0.000 0.267 247 G HA3 0.811 4.770 3.960 -0.001 0.000 0.267 247 G C -0.349 174.726 174.900 0.291 0.000 1.362 247 G CA -0.425 44.920 45.100 0.407 0.000 1.048 247 G HN 0.957 nan 8.290 nan 0.000 0.547 248 G N -3.199 105.630 108.800 0.050 0.000 2.450 248 G HA2 0.492 4.451 3.960 -0.001 0.000 0.273 248 G HA3 0.492 4.451 3.960 -0.001 0.000 0.273 248 G C 0.044 174.756 174.900 -0.312 0.000 1.221 248 G CA 1.078 46.130 45.100 -0.079 0.000 0.900 248 G HN 1.723 nan 8.290 nan 0.000 0.483 249 H N -1.125 117.599 119.070 -0.576 0.000 4.844 249 H HA -0.307 4.249 4.556 -0.000 0.000 0.071 249 H C 2.009 177.194 175.328 -0.238 0.000 0.589 249 H CA 3.683 59.393 56.048 -0.564 0.000 1.006 249 H CB -1.474 27.727 29.762 -0.934 0.000 0.443 249 H HN 1.281 nan 8.280 nan 0.000 0.779 250 S N 0.376 115.836 115.700 -0.401 0.000 2.631 250 S HA 0.098 4.568 4.470 -0.001 0.000 0.217 250 S C 0.662 175.223 174.600 -0.065 0.000 0.958 250 S CA 0.682 58.672 58.200 -0.349 0.000 0.920 250 S CB -0.408 62.614 63.200 -0.297 0.000 0.776 250 S HN 0.819 nan 8.310 nan 0.000 0.517 251 H N 0.214 119.174 119.070 -0.183 0.000 3.080 251 H HA -0.140 4.416 4.556 -0.001 0.000 0.254 251 H C -0.009 175.180 175.328 -0.232 0.000 1.179 251 H CA 0.769 56.710 56.048 -0.179 0.000 1.144 251 H CB -1.956 27.716 29.762 -0.150 0.000 1.261 251 H HN 0.770 nan 8.280 nan 0.000 0.333 252 I N -1.818 118.683 120.570 -0.115 0.000 2.693 252 I HA 0.520 4.690 4.170 -0.001 0.000 0.303 252 I C 0.346 176.294 176.117 -0.282 0.000 1.025 252 I CA -1.230 59.931 61.300 -0.231 0.000 1.086 252 I CB 1.812 39.725 38.000 -0.145 0.000 1.268 252 I HN -0.102 nan 8.210 nan 0.000 0.440 253 R N 2.652 122.866 120.500 -0.477 0.000 2.401 253 R HA 0.333 4.672 4.340 -0.001 0.000 0.299 253 R C -1.085 174.991 176.300 -0.374 0.000 1.064 253 R CA 0.107 55.829 56.100 -0.630 0.000 1.000 253 R CB 0.211 29.786 30.300 -1.208 0.000 0.973 253 R HN 0.630 nan 8.270 nan 0.000 0.438 254 D N 1.850 122.210 120.400 -0.067 0.000 2.654 254 D HA 0.367 5.006 4.640 -0.001 0.000 0.231 254 D C -1.840 174.654 176.300 0.323 0.000 1.239 254 D CA -0.525 53.538 54.000 0.105 0.000 0.790 254 D CB 1.269 42.071 40.800 0.004 0.000 1.480 254 D HN 0.243 nan 8.370 nan 0.000 0.442 255 F N 1.618 121.600 119.950 0.055 0.000 2.630 255 F HA 0.481 5.008 4.527 -0.001 0.000 0.325 255 F C -0.837 174.857 175.800 -0.177 0.000 1.184 255 F CA -0.211 57.748 58.000 -0.068 0.000 1.011 255 F CB 1.635 40.587 39.000 -0.080 0.000 1.268 255 F HN 0.265 nan 8.300 nan 0.000 0.480 256 T N 2.147 116.281 114.554 -0.700 0.000 2.924 256 T HA 0.818 5.168 4.350 -0.001 0.000 0.291 256 T C -1.345 172.914 174.700 -0.735 0.000 1.045 256 T CA -0.924 60.803 62.100 -0.621 0.000 1.015 256 T CB 1.872 70.241 68.868 -0.832 0.000 1.103 256 T HN 0.362 nan 8.240 nan 0.000 0.496 257 V N 2.541 122.212 119.914 -0.404 0.000 2.384 257 V HA 0.386 4.505 4.120 -0.001 0.000 0.287 257 V C -0.120 175.878 176.094 -0.160 0.000 1.020 257 V CA -0.596 61.561 62.300 -0.239 0.000 0.850 257 V CB 0.866 32.697 31.823 0.013 0.000 0.987 257 V HN 0.953 nan 8.190 nan 0.000 0.436 258 F N 2.034 121.868 119.950 -0.192 0.000 2.262 258 F HA 0.160 4.687 4.527 -0.000 0.000 0.292 258 F C 1.033 176.817 175.800 -0.026 0.000 1.081 258 F CA 0.642 58.538 58.000 -0.174 0.000 1.355 258 F CB 0.442 39.030 39.000 -0.687 0.000 1.069 258 F HN 0.751 nan 8.300 nan 0.000 0.506 259 D N -3.164 117.355 120.400 0.199 0.000 2.970 259 D HA 0.089 4.729 4.640 -0.001 0.000 0.344 259 D C 0.577 177.008 176.300 0.218 0.000 1.365 259 D CA 0.060 54.190 54.000 0.216 0.000 0.910 259 D CB 0.153 41.118 40.800 0.274 0.000 1.445 259 D HN -0.163 nan 8.370 nan 0.000 0.532 260 S N -0.976 114.864 115.700 0.232 0.000 2.447 260 S HA -0.054 4.416 4.470 -0.001 0.000 0.233 260 S C 1.399 176.223 174.600 0.373 0.000 1.006 260 S CA 0.664 59.028 58.200 0.274 0.000 0.957 260 S CB -0.526 62.802 63.200 0.212 0.000 0.773 260 S HN 0.465 nan 8.310 nan 0.000 0.507 261 L N 0.905 122.333 121.223 0.342 0.000 2.769 261 L HA 0.431 4.771 4.340 -0.001 0.000 0.240 261 L C 0.482 177.613 176.870 0.436 0.000 1.163 261 L CA -0.191 54.889 54.840 0.401 0.000 0.962 261 L CB 0.689 42.910 42.059 0.270 0.000 1.258 261 L HN 0.233 nan 8.230 nan 0.000 0.513 262 S N -0.099 115.755 115.700 0.256 0.000 2.649 262 S HA 0.560 5.029 4.470 -0.001 0.000 0.274 262 S C -0.398 174.056 174.600 -0.243 0.000 1.176 262 S CA -0.458 57.758 58.200 0.028 0.000 0.988 262 S CB 1.188 64.453 63.200 0.109 0.000 1.071 262 S HN 0.231 nan 8.310 nan 0.000 0.478 263 T N 1.209 115.428 114.554 -0.559 0.000 2.887 263 T HA 0.902 5.252 4.350 -0.001 0.000 0.292 263 T C 0.076 174.470 174.700 -0.510 0.000 1.087 263 T CA -0.685 61.014 62.100 -0.668 0.000 1.009 263 T CB 1.550 69.659 68.868 -1.265 0.000 1.203 263 T HN 0.885 nan 8.240 nan 0.000 0.518 264 G N 0.353 108.782 108.800 -0.618 0.000 2.495 264 G HA2 0.620 4.580 3.960 -0.001 0.000 0.318 264 G HA3 0.620 4.580 3.960 -0.001 0.000 0.318 264 G C -1.742 172.781 174.900 -0.627 0.000 1.257 264 G CA -0.754 44.063 45.100 -0.472 0.000 0.962 264 G HN 0.813 nan 8.290 nan 0.000 0.483 265 L N 0.631 121.602 121.223 -0.420 0.000 2.334 265 L HA 0.733 5.073 4.340 -0.001 0.000 0.276 265 L C -0.251 176.702 176.870 0.137 0.000 1.014 265 L CA -0.702 54.124 54.840 -0.024 0.000 0.815 265 L CB 2.112 44.200 42.059 0.048 0.000 1.268 265 L HN 0.577 nan 8.230 nan 0.000 0.428 266 Q N 1.985 121.959 119.800 0.290 0.000 2.347 266 Q HA 0.523 4.863 4.340 -0.001 0.000 0.271 266 Q C -1.130 175.064 176.000 0.322 0.000 1.064 266 Q CA -0.410 55.579 55.803 0.309 0.000 0.800 266 Q CB 1.921 30.739 28.738 0.133 0.000 1.304 266 Q HN 0.758 nan 8.270 nan 0.000 0.438 267 S N 2.470 118.333 115.700 0.272 0.000 2.525 267 S HA 0.463 4.932 4.470 -0.001 0.000 0.242 267 S C 0.366 174.953 174.600 -0.021 0.000 1.164 267 S CA -0.002 58.306 58.200 0.180 0.000 1.154 267 S CB 0.614 63.938 63.200 0.207 0.000 0.875 267 S HN 1.059 nan 8.310 nan 0.000 0.482 268 G N 2.682 111.404 108.800 -0.130 0.000 2.509 268 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.259 268 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.259 268 G C -0.371 174.354 174.900 -0.292 0.000 1.169 268 G CA 0.036 44.971 45.100 -0.274 0.000 0.953 268 G HN 0.883 nan 8.290 nan 0.000 0.563 269 R N -3.029 117.244 120.500 -0.377 0.000 2.690 269 R HA 0.542 4.882 4.340 -0.001 0.000 0.269 269 R C 0.023 176.108 176.300 -0.359 0.000 1.037 269 R CA -0.337 55.447 56.100 -0.525 0.000 0.877 269 R CB 0.364 30.011 30.300 -1.089 0.000 1.255 269 R HN 1.520 nan 8.270 nan 0.000 0.467 270 Y N -0.443 119.654 120.300 -0.339 0.000 3.929 270 Y HA -0.269 4.280 4.550 -0.001 0.000 0.225 270 Y C 0.097 175.724 175.900 -0.455 0.000 1.200 270 Y CA -0.002 57.772 58.100 -0.543 0.000 1.791 270 Y CB -2.745 35.124 38.460 -0.986 0.000 1.561 270 Y HN 0.940 nan 8.280 nan 0.000 0.657 271 C N -0.571 118.618 119.300 -0.186 0.000 4.114 271 C HA -0.260 4.200 4.460 -0.001 0.000 0.300 271 C C 1.753 176.412 174.990 -0.551 0.000 1.423 271 C CA 1.218 59.938 59.018 -0.496 0.000 2.034 271 C CB -1.980 25.346 27.740 -0.691 0.000 1.299 271 C HN 0.719 nan 8.230 nan 0.000 0.727 272 E N -1.024 118.921 120.200 -0.426 0.000 2.364 272 E HA 0.024 4.373 4.350 -0.001 0.000 0.196 272 E C 0.758 177.283 176.600 -0.126 0.000 0.990 272 E CA 0.629 56.605 56.400 -0.707 0.000 0.886 272 E CB 0.401 29.398 29.700 -1.172 0.000 0.866 272 E HN 0.703 nan 8.360 nan 0.000 0.493 273 T N 0.802 115.387 114.554 0.052 0.000 2.881 273 T HA 0.370 4.720 4.350 -0.001 0.000 0.290 273 T C -0.807 174.088 174.700 0.326 0.000 1.000 273 T CA -0.573 61.644 62.100 0.195 0.000 0.978 273 T CB 2.439 71.341 68.868 0.058 0.000 0.997 273 T HN -0.244 nan 8.240 nan 0.000 0.443 274 V N 2.726 122.853 119.914 0.354 0.000 2.347 274 V HA 0.664 4.783 4.120 -0.001 0.000 0.280 274 V C 0.891 177.225 176.094 0.400 0.000 1.021 274 V CA -0.721 61.785 62.300 0.345 0.000 0.847 274 V CB 1.398 33.415 31.823 0.323 0.000 0.990 274 V HN 1.037 nan 8.190 nan 0.000 0.444 275 G N 4.089 113.145 108.800 0.428 0.000 2.444 275 G HA2 0.420 4.380 3.960 -0.001 0.000 0.268 275 G HA3 0.420 4.380 3.960 -0.001 0.000 0.268 275 G C -1.058 174.158 174.900 0.526 0.000 1.203 275 G CA -0.321 45.079 45.100 0.500 0.000 0.835 275 G HN 0.724 nan 8.290 nan 0.000 0.543 276 W N 1.336 122.765 121.300 0.216 0.000 2.883 276 W HA 0.622 5.282 4.660 -0.001 0.000 0.335 276 W C -1.511 175.096 176.519 0.147 0.000 1.083 276 W CA -0.607 56.824 57.345 0.143 0.000 1.233 276 W CB 2.308 31.762 29.460 -0.010 0.000 1.412 276 W HN 0.518 nan 8.180 nan 0.000 0.490 277 T N 3.337 117.657 114.554 -0.390 0.000 2.993 277 T HA 0.304 4.654 4.350 -0.001 0.000 0.312 277 T C -0.679 173.767 174.700 -0.423 0.000 1.115 277 T CA -0.416 61.578 62.100 -0.178 0.000 1.027 277 T CB 1.704 70.706 68.868 0.223 0.000 1.116 277 T HN 0.366 nan 8.240 nan 0.000 0.464 278 S N 1.563 117.158 115.700 -0.175 0.000 2.513 278 S HA 0.892 5.362 4.470 -0.001 0.000 0.299 278 S C -0.840 173.824 174.600 0.106 0.000 1.087 278 S CA -0.688 57.456 58.200 -0.093 0.000 1.012 278 S CB 1.502 64.737 63.200 0.057 0.000 1.044 278 S HN 0.489 nan 8.310 nan 0.000 0.485 279 V N 2.939 122.875 119.914 0.036 0.000 2.656 279 V HA 0.496 4.616 4.120 -0.001 0.000 0.307 279 V C -0.246 175.791 176.094 -0.095 0.000 1.051 279 V CA -0.965 61.300 62.300 -0.057 0.000 0.893 279 V CB 1.833 33.665 31.823 0.016 0.000 0.999 279 V HN 1.021 nan 8.190 nan 0.000 0.426 280 N N 3.879 122.489 118.700 -0.150 0.000 2.444 280 N HA 0.323 5.063 4.740 -0.001 0.000 0.271 280 N C -0.075 175.369 175.510 -0.111 0.000 1.069 280 N CA -0.308 52.686 53.050 -0.093 0.000 0.965 280 N CB 1.502 39.951 38.487 -0.063 0.000 1.092 280 N HN 0.717 nan 8.380 nan 0.000 0.476 281 L N 2.001 123.187 121.223 -0.062 0.000 2.872 281 L HA 0.222 4.562 4.340 -0.001 0.000 0.245 281 L C -0.089 176.765 176.870 -0.025 0.000 1.211 281 L CA -0.459 54.353 54.840 -0.046 0.000 1.013 281 L CB -0.166 41.871 42.059 -0.037 0.000 1.326 281 L HN 0.385 nan 8.230 nan 0.000 0.525 282 D N 1.534 121.920 120.400 -0.023 0.000 2.378 282 D HA 0.063 4.703 4.640 -0.001 0.000 0.238 282 D C 0.459 176.760 176.300 0.002 0.000 1.180 282 D CA 0.187 54.183 54.000 -0.007 0.000 0.895 282 D CB 0.731 41.529 40.800 -0.003 0.000 1.192 282 D HN 0.065 nan 8.370 nan 0.000 0.438 283 K N 0.363 120.770 120.400 0.011 0.000 2.397 283 K HA 0.160 4.479 4.320 -0.001 0.000 0.265 283 K C 0.929 177.548 176.600 0.031 0.000 0.982 283 K CA -0.234 56.066 56.287 0.022 0.000 0.931 283 K CB 0.329 32.842 32.500 0.021 0.000 0.943 283 K HN 0.410 nan 8.250 nan 0.000 0.501 284 A N 2.041 124.887 122.820 0.043 0.000 2.067 284 A HA -0.159 4.160 4.320 -0.001 0.000 0.219 284 A C 1.377 178.992 177.584 0.052 0.000 1.158 284 A CA 1.392 53.464 52.037 0.057 0.000 0.661 284 A CB -0.256 18.786 19.000 0.070 0.000 0.801 284 A HN 0.755 nan 8.150 nan 0.000 0.452 285 D N 0.229 120.653 120.400 0.040 0.000 2.178 285 D HA -0.099 4.541 4.640 -0.001 0.000 0.201 285 D C 1.668 177.988 176.300 0.034 0.000 0.980 285 D CA 0.817 54.838 54.000 0.034 0.000 0.842 285 D CB -0.245 40.571 40.800 0.026 0.000 0.948 285 D HN 0.476 nan 8.370 nan 0.000 0.472 286 L N 0.163 121.405 121.223 0.032 0.000 2.549 286 L HA -0.102 4.237 4.340 -0.001 0.000 0.229 286 L C 0.016 176.909 176.870 0.038 0.000 1.158 286 L CA 0.128 54.986 54.840 0.030 0.000 0.842 286 L CB -0.634 41.440 42.059 0.025 0.000 0.952 286 L HN -0.004 nan 8.230 nan 0.000 0.452 287 N N 0.316 119.044 118.700 0.047 0.000 2.714 287 N HA -0.187 4.552 4.740 -0.001 0.000 0.252 287 N C -0.380 175.168 175.510 0.062 0.000 1.014 287 N CA 0.562 53.647 53.050 0.058 0.000 0.735 287 N CB -1.466 37.052 38.487 0.051 0.000 0.924 287 N HN 0.253 nan 8.380 nan 0.000 0.540 288 L N -0.038 121.223 121.223 0.065 0.000 2.485 288 L HA 0.201 4.541 4.340 -0.001 0.000 0.275 288 L C -1.298 175.628 176.870 0.093 0.000 1.207 288 L CA -1.367 53.513 54.840 0.066 0.000 0.855 288 L CB 0.043 42.134 42.059 0.053 0.000 1.114 288 L HN 0.010 nan 8.230 nan 0.000 0.485 289 P HA -0.048 nan 4.420 nan 0.000 0.268 289 P C 0.752 178.143 177.300 0.151 0.000 1.204 289 P CA -0.110 63.047 63.100 0.095 0.000 0.768 289 P CB 0.906 32.637 31.700 0.051 0.000 0.842 290 V N 4.560 124.609 119.914 0.225 0.000 2.380 290 V HA -0.286 3.834 4.120 -0.001 0.000 0.251 290 V C 1.990 178.350 176.094 0.443 0.000 1.063 290 V CA 1.895 64.455 62.300 0.433 0.000 1.055 290 V CB -0.514 31.597 31.823 0.480 0.000 0.657 290 V HN 0.516 nan 8.190 nan 0.000 0.455 291 R N -1.077 119.443 120.500 0.034 0.000 2.235 291 R HA -0.070 4.269 4.340 -0.001 0.000 0.213 291 R C 2.223 178.509 176.300 -0.023 0.000 1.059 291 R CA 1.010 56.931 56.100 -0.300 0.000 0.997 291 R CB -0.149 29.830 30.300 -0.535 0.000 0.884 291 R HN 0.614 nan 8.270 nan 0.000 0.462 292 Q N 0.623 120.457 119.800 0.056 0.000 2.165 292 Q HA -0.037 4.302 4.340 -0.001 0.000 0.197 292 Q C 2.101 178.151 176.000 0.084 0.000 0.952 292 Q CA 0.613 56.453 55.803 0.061 0.000 0.848 292 Q CB 0.250 29.015 28.738 0.044 0.000 0.931 292 Q HN 0.175 nan 8.270 nan 0.000 0.470 293 R N -0.856 119.699 120.500 0.091 0.000 2.073 293 R HA -0.063 4.277 4.340 -0.001 0.000 0.234 293 R C -0.148 176.073 176.300 -0.133 0.000 1.134 293 R CA 0.913 56.978 56.100 -0.058 0.000 0.952 293 R CB 0.119 30.341 30.300 -0.129 0.000 0.850 293 R HN -0.017 nan 8.270 nan 0.000 0.433 294 F N -0.679 119.447 119.950 0.293 0.000 2.480 294 F HA 0.384 4.911 4.527 -0.000 0.000 0.329 294 F C 0.095 176.138 175.800 0.406 0.000 1.091 294 F CA -0.639 57.580 58.000 0.364 0.000 0.972 294 F CB 2.056 41.349 39.000 0.488 0.000 1.150 294 F HN -0.150 nan 8.300 nan 0.000 0.467 295 S N 2.056 118.039 115.700 0.471 0.000 2.549 295 S HA 0.876 5.345 4.470 -0.001 0.000 0.280 295 S C -1.218 173.481 174.600 0.164 0.000 1.109 295 S CA -0.825 57.572 58.200 0.329 0.000 0.905 295 S CB 1.343 64.710 63.200 0.277 0.000 1.081 295 S HN 0.727 nan 8.310 nan 0.000 0.477 296 R N 1.032 121.506 120.500 -0.044 0.000 2.771 296 R HA 0.906 5.245 4.340 -0.001 0.000 0.274 296 R C -1.276 174.938 176.300 -0.144 0.000 0.987 296 R CA -0.619 55.367 56.100 -0.189 0.000 0.908 296 R CB 1.333 31.133 30.300 -0.834 0.000 1.213 296 R HN 0.441 nan 8.270 nan 0.000 0.468 297 S N 0.156 115.793 115.700 -0.105 0.000 2.556 297 S HA 0.519 4.989 4.470 -0.001 0.000 0.271 297 S C -1.685 172.770 174.600 -0.242 0.000 1.135 297 S CA -0.777 57.307 58.200 -0.194 0.000 0.858 297 S CB 0.935 64.089 63.200 -0.077 0.000 1.114 297 S HN 0.505 nan 8.310 nan 0.000 0.468 298 Y N 1.069 121.469 120.300 0.166 0.000 2.328 298 Y HA 0.609 5.158 4.550 -0.000 0.000 0.336 298 Y C -0.199 175.814 175.900 0.189 0.000 0.960 298 Y CA -0.818 57.394 58.100 0.186 0.000 1.134 298 Y CB 0.720 39.273 38.460 0.155 0.000 1.166 298 Y HN 0.411 nan 8.280 nan 0.000 0.464 299 I N 3.902 124.672 120.570 0.334 0.000 2.339 299 I HA 0.212 4.382 4.170 -0.001 0.000 0.290 299 I C -0.586 175.687 176.117 0.260 0.000 0.994 299 I CA -0.865 60.589 61.300 0.256 0.000 1.191 299 I CB 0.830 38.944 38.000 0.190 0.000 1.343 299 I HN 0.537 nan 8.210 nan 0.000 0.458 300 D N 5.247 125.798 120.400 0.252 0.000 2.488 300 D HA -0.070 4.570 4.640 -0.001 0.000 0.238 300 D C -0.143 176.191 176.300 0.056 0.000 1.138 300 D CA 0.464 54.624 54.000 0.267 0.000 0.873 300 D CB 0.590 41.540 40.800 0.249 0.000 1.183 300 D HN 0.335 nan 8.370 nan 0.000 0.458 301 F N 3.251 123.210 119.950 0.014 0.000 2.659 301 F HA 0.050 4.577 4.527 -0.000 0.000 0.360 301 F C 0.237 175.759 175.800 -0.463 0.000 1.218 301 F CA -0.537 57.340 58.000 -0.204 0.000 1.317 301 F CB -0.469 38.554 39.000 0.037 0.000 1.697 301 F HN 0.243 nan 8.300 nan 0.000 0.637 302 N N -2.123 116.111 118.700 -0.778 0.000 2.525 302 N HA 0.240 4.980 4.740 -0.001 0.000 0.270 302 N C 0.432 175.406 175.510 -0.893 0.000 1.321 302 N CA -0.334 52.279 53.050 -0.728 0.000 0.797 302 N CB 0.801 39.181 38.487 -0.179 0.000 1.529 302 N HN -0.044 nan 8.380 nan 0.000 0.491 303 T N -3.695 110.623 114.554 -0.394 0.000 2.951 303 T HA -0.105 4.244 4.350 -0.001 0.000 0.268 303 T C 1.055 175.612 174.700 -0.238 0.000 1.073 303 T CA 1.429 63.368 62.100 -0.268 0.000 1.134 303 T CB -0.469 68.367 68.868 -0.053 0.000 0.884 303 T HN 0.593 nan 8.240 nan 0.000 0.479 304 D N 1.378 121.717 120.400 -0.102 0.000 2.116 304 D HA -0.111 4.529 4.640 -0.001 0.000 0.193 304 D C 2.311 178.530 176.300 -0.135 0.000 0.998 304 D CA 1.407 55.371 54.000 -0.060 0.000 0.836 304 D CB -0.420 40.381 40.800 0.001 0.000 0.951 304 D HN 0.349 nan 8.370 nan 0.000 0.449 305 S N -1.234 114.308 115.700 -0.264 0.000 2.383 305 S HA -0.053 4.417 4.470 -0.001 0.000 0.227 305 S C 1.596 176.111 174.600 -0.141 0.000 1.026 305 S CA 0.410 58.337 58.200 -0.454 0.000 0.981 305 S CB -0.278 62.738 63.200 -0.307 0.000 0.818 305 S HN 0.258 nan 8.310 nan 0.000 0.472 306 F N 1.909 121.690 119.950 -0.282 0.000 2.113 306 F HA 0.067 4.593 4.527 -0.000 0.000 0.297 306 F C 2.180 177.980 175.800 0.001 0.000 1.103 306 F CA 0.679 58.554 58.000 -0.209 0.000 1.248 306 F CB -0.930 37.898 39.000 -0.286 0.000 0.999 306 F HN 0.137 nan 8.300 nan 0.000 0.475 307 K N -1.031 119.277 120.400 -0.153 0.000 2.097 307 K HA -0.231 4.089 4.320 -0.001 0.000 0.206 307 K C 2.077 178.703 176.600 0.044 0.000 1.049 307 K CA 1.558 57.765 56.287 -0.132 0.000 0.933 307 K CB -0.561 31.800 32.500 -0.231 0.000 0.717 307 K HN 0.272 nan 8.250 nan 0.000 0.442 308 Y N 0.799 121.018 120.300 -0.134 0.000 2.163 308 Y HA -0.220 4.330 4.550 -0.000 0.000 0.288 308 Y C 2.188 178.032 175.900 -0.095 0.000 1.136 308 Y CA 1.566 59.559 58.100 -0.177 0.000 1.147 308 Y CB 0.040 38.263 38.460 -0.396 0.000 0.987 308 Y HN 0.155 nan 8.280 nan 0.000 0.509 309 H N -1.110 118.121 119.070 0.268 0.000 2.502 309 H HA -0.015 4.541 4.556 -0.001 0.000 0.283 309 H C 2.081 177.551 175.328 0.235 0.000 1.015 309 H CA 1.611 57.813 56.048 0.258 0.000 1.298 309 H CB -0.458 29.513 29.762 0.349 0.000 1.411 309 H HN 0.492 nan 8.280 nan 0.000 0.556 310 T N -2.739 112.027 114.554 0.354 0.000 3.060 310 T HA 0.025 4.374 4.350 -0.001 0.000 0.249 310 T C 0.687 175.425 174.700 0.064 0.000 1.079 310 T CA 0.257 62.499 62.100 0.236 0.000 1.013 310 T CB -0.107 68.953 68.868 0.319 0.000 0.975 310 T HN 0.210 nan 8.240 nan 0.000 0.518 311 N N 0.341 119.040 118.700 -0.003 0.000 2.714 311 N HA -0.114 4.625 4.740 -0.001 0.000 0.250 311 N C -0.901 174.581 175.510 -0.047 0.000 1.117 311 N CA 0.603 53.603 53.050 -0.083 0.000 0.719 311 N CB -1.538 36.882 38.487 -0.112 0.000 1.081 311 N HN 0.544 nan 8.380 nan 0.000 0.557 312 L N -1.433 119.795 121.223 0.007 0.000 2.303 312 L HA 0.580 4.920 4.340 -0.001 0.000 0.266 312 L C 0.506 177.415 176.870 0.065 0.000 1.011 312 L CA -0.641 54.210 54.840 0.017 0.000 0.818 312 L CB 1.863 43.899 42.059 -0.039 0.000 1.326 312 L HN -0.041 nan 8.230 nan 0.000 0.435 313 D N -1.172 119.271 120.400 0.072 0.000 2.887 313 D HA 0.042 4.682 4.640 -0.001 0.000 0.162 313 D C 1.100 177.470 176.300 0.116 0.000 1.495 313 D CA -0.302 53.742 54.000 0.074 0.000 1.531 313 D CB 0.292 41.108 40.800 0.027 0.000 1.459 313 D HN 0.248 nan 8.370 nan 0.000 0.256 314 K N 0.652 121.096 120.400 0.073 0.000 2.097 314 K HA 0.014 4.334 4.320 -0.001 0.000 0.206 314 K C 0.847 177.501 176.600 0.089 0.000 1.049 314 K CA 1.126 57.456 56.287 0.071 0.000 0.933 314 K CB 0.205 32.728 32.500 0.039 0.000 0.717 314 K HN 0.025 nan 8.250 nan 0.000 0.442 315 E N -0.794 119.449 120.200 0.072 0.000 2.394 315 E HA -0.006 4.343 4.350 -0.001 0.000 0.191 315 E C 0.804 177.438 176.600 0.055 0.000 1.044 315 E CA -0.091 56.338 56.400 0.048 0.000 0.939 315 E CB -0.024 29.673 29.700 -0.005 0.000 1.089 315 E HN 0.233 nan 8.360 nan 0.000 0.456 316 F N 1.997 121.955 119.950 0.012 0.000 2.098 316 F HA -0.048 4.478 4.527 -0.000 0.000 0.294 316 F C 0.479 176.448 175.800 0.281 0.000 1.107 316 F CA 0.597 58.652 58.000 0.091 0.000 1.234 316 F CB 0.272 39.343 39.000 0.118 0.000 1.002 316 F HN -0.195 nan 8.300 nan 0.000 0.472 317 D N 1.741 122.257 120.400 0.193 0.000 2.434 317 D HA 0.080 4.720 4.640 -0.001 0.000 0.252 317 D C 0.443 176.739 176.300 -0.007 0.000 1.185 317 D CA 0.501 54.544 54.000 0.072 0.000 0.886 317 D CB 0.581 41.478 40.800 0.162 0.000 1.148 317 D HN 0.253 nan 8.370 nan 0.000 0.483 318 T N -1.230 113.254 114.554 -0.117 0.000 2.881 318 T HA 0.545 4.895 4.350 -0.001 0.000 0.278 318 T C 1.247 175.906 174.700 -0.069 0.000 0.982 318 T CA -0.563 61.463 62.100 -0.123 0.000 0.989 318 T CB 1.690 70.400 68.868 -0.264 0.000 1.058 318 T HN 0.191 nan 8.240 nan 0.000 0.529 319 A N 0.288 123.072 122.820 -0.059 0.000 1.968 319 A HA 0.068 4.388 4.320 -0.001 0.000 0.217 319 A C 2.319 179.880 177.584 -0.038 0.000 1.169 319 A CA 1.189 53.207 52.037 -0.033 0.000 0.638 319 A CB -0.723 18.261 19.000 -0.028 0.000 0.812 319 A HN 0.926 nan 8.150 nan 0.000 0.446 320 K N -0.435 119.922 120.400 -0.071 0.000 2.001 320 K HA -0.091 4.229 4.320 -0.001 0.000 0.208 320 K C 2.107 178.674 176.600 -0.055 0.000 1.048 320 K CA 1.262 57.506 56.287 -0.072 0.000 0.932 320 K CB -0.533 31.899 32.500 -0.113 0.000 0.715 320 K HN 0.373 nan 8.250 nan 0.000 0.437 321 G N 1.356 110.105 108.800 -0.086 0.000 2.469 321 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.219 321 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.219 321 G C 1.409 176.332 174.900 0.039 0.000 1.150 321 G CA 1.067 46.142 45.100 -0.041 0.000 0.763 321 G HN 0.305 nan 8.290 nan 0.000 0.561 322 K N -0.429 119.991 120.400 0.032 0.000 2.148 322 K HA 0.174 4.494 4.320 -0.001 0.000 0.204 322 K C 2.489 179.126 176.600 0.062 0.000 1.050 322 K CA 0.385 56.710 56.287 0.064 0.000 0.942 322 K CB -0.185 32.347 32.500 0.053 0.000 0.724 322 K HN 0.261 nan 8.250 nan 0.000 0.446 323 L N 0.164 121.411 121.223 0.039 0.000 2.027 323 L HA -0.190 4.150 4.340 -0.001 0.000 0.206 323 L C 2.154 179.059 176.870 0.060 0.000 1.074 323 L CA 0.913 55.776 54.840 0.038 0.000 0.745 323 L CB -0.308 41.761 42.059 0.017 0.000 0.898 323 L HN -0.005 nan 8.230 nan 0.000 0.433 324 V N -1.105 118.852 119.914 0.072 0.000 2.343 324 V HA -0.277 3.843 4.120 -0.001 0.000 0.247 324 V C 2.522 178.708 176.094 0.154 0.000 1.051 324 V CA 2.034 64.404 62.300 0.116 0.000 1.036 324 V CB -0.495 31.413 31.823 0.140 0.000 0.654 324 V HN 0.384 nan 8.190 nan 0.000 0.451 325 S N -0.716 115.079 115.700 0.159 0.000 2.382 325 S HA -0.215 4.255 4.470 -0.001 0.000 0.228 325 S C 2.027 176.710 174.600 0.138 0.000 1.027 325 S CA 1.535 59.844 58.200 0.181 0.000 0.991 325 S CB -0.277 63.037 63.200 0.190 0.000 0.823 325 S HN 0.573 nan 8.310 nan 0.000 0.469 326 K N 0.865 121.329 120.400 0.106 0.000 2.057 326 K HA -0.063 4.257 4.320 -0.001 0.000 0.206 326 K C 2.182 178.825 176.600 0.071 0.000 1.050 326 K CA 0.995 57.331 56.287 0.081 0.000 0.935 326 K CB -0.280 32.258 32.500 0.063 0.000 0.715 326 K HN 0.273 nan 8.250 nan 0.000 0.439 327 L N 1.720 122.987 121.223 0.073 0.000 2.046 327 L HA -0.139 4.201 4.340 -0.001 0.000 0.208 327 L C 1.965 178.875 176.870 0.067 0.000 1.077 327 L CA 1.472 56.348 54.840 0.061 0.000 0.747 327 L CB -0.307 41.788 42.059 0.059 0.000 0.896 327 L HN 0.185 nan 8.230 nan 0.000 0.432 328 I N -0.458 120.172 120.570 0.100 0.000 2.118 328 I HA -0.350 3.820 4.170 -0.001 0.000 0.241 328 I C 2.674 178.835 176.117 0.072 0.000 1.070 328 I CA 1.677 63.039 61.300 0.104 0.000 1.327 328 I CB -0.401 37.698 38.000 0.165 0.000 1.034 328 I HN 0.266 nan 8.210 nan 0.000 0.405 329 R N 0.485 121.031 120.500 0.078 0.000 2.096 329 R HA -0.164 4.176 4.340 -0.001 0.000 0.235 329 R C 2.176 178.499 176.300 0.037 0.000 1.127 329 R CA 1.387 57.522 56.100 0.059 0.000 0.968 329 R CB -0.368 29.972 30.300 0.067 0.000 0.861 329 R HN 0.487 nan 8.270 nan 0.000 0.440 330 E N -0.183 120.039 120.200 0.036 0.000 2.072 330 E HA -0.123 4.227 4.350 -0.001 0.000 0.191 330 E C 1.872 178.478 176.600 0.010 0.000 0.985 330 E CA 1.583 57.996 56.400 0.023 0.000 0.801 330 E CB 0.027 29.741 29.700 0.023 0.000 0.750 330 E HN 0.300 nan 8.360 nan 0.000 0.452 331 T N 0.815 115.375 114.554 0.010 0.000 2.737 331 T HA -0.109 4.241 4.350 -0.001 0.000 0.265 331 T C 1.813 176.498 174.700 -0.024 0.000 1.038 331 T CA 0.960 63.055 62.100 -0.008 0.000 1.144 331 T CB -0.137 68.728 68.868 -0.005 0.000 0.866 331 T HN 0.112 nan 8.240 nan 0.000 0.434 332 R N 0.876 121.364 120.500 -0.019 0.000 2.081 332 R HA -0.058 4.281 4.340 -0.001 0.000 0.235 332 R C 2.526 178.809 176.300 -0.028 0.000 1.131 332 R CA 1.332 57.410 56.100 -0.036 0.000 0.960 332 R CB -0.208 30.076 30.300 -0.026 0.000 0.856 332 R HN 0.198 nan 8.270 nan 0.000 0.436 333 K N 1.592 121.986 120.400 -0.010 0.000 2.057 333 K HA -0.192 4.128 4.320 -0.001 0.000 0.207 333 K C 1.931 178.524 176.600 -0.010 0.000 1.049 333 K CA 1.945 58.228 56.287 -0.005 0.000 0.931 333 K CB -0.045 32.458 32.500 0.006 0.000 0.714 333 K HN 0.357 nan 8.250 nan 0.000 0.440 334 E N 0.064 120.256 120.200 -0.013 0.000 2.204 334 E HA -0.156 4.193 4.350 -0.001 0.000 0.194 334 E C 1.522 178.106 176.600 -0.026 0.000 0.989 334 E CA 0.968 57.358 56.400 -0.016 0.000 0.824 334 E CB -0.203 29.488 29.700 -0.015 0.000 0.756 334 E HN 0.331 nan 8.360 nan 0.000 0.477 335 L N 0.268 121.467 121.223 -0.040 0.000 2.591 335 L HA 0.164 4.503 4.340 -0.001 0.000 0.228 335 L C 0.453 177.297 176.870 -0.043 0.000 1.133 335 L CA 0.075 54.881 54.840 -0.056 0.000 0.880 335 L CB -0.135 41.867 42.059 -0.095 0.000 1.033 335 L HN 0.048 nan 8.230 nan 0.000 0.450 336 K N -0.487 119.896 120.400 -0.029 0.000 3.069 336 K HA -0.208 4.112 4.320 -0.001 0.000 0.267 336 K C 0.975 177.560 176.600 -0.025 0.000 1.082 336 K CA 0.126 56.402 56.287 -0.018 0.000 0.782 336 K CB -1.641 30.856 32.500 -0.005 0.000 1.230 336 K HN 0.286 nan 8.250 nan 0.000 0.488 337 L N 0.044 121.239 121.223 -0.046 0.000 2.201 337 L HA -0.162 4.178 4.340 -0.001 0.000 0.212 337 L C 1.403 178.233 176.870 -0.066 0.000 1.105 337 L CA 1.176 55.977 54.840 -0.065 0.000 0.775 337 L CB -0.086 41.909 42.059 -0.106 0.000 0.913 337 L HN 0.265 nan 8.230 nan 0.000 0.440 338 D N -1.163 119.209 120.400 -0.048 0.000 2.340 338 D HA 0.034 4.673 4.640 -0.001 0.000 0.217 338 D C 0.490 176.769 176.300 -0.034 0.000 1.081 338 D CA 0.195 54.169 54.000 -0.044 0.000 0.842 338 D CB 0.300 41.085 40.800 -0.024 0.000 0.934 338 D HN 0.108 nan 8.370 nan 0.000 0.511 339 T N 1.924 116.461 114.554 -0.028 0.000 2.829 339 T HA 0.012 4.362 4.350 -0.001 0.000 0.293 339 T C 0.301 174.984 174.700 -0.029 0.000 0.970 339 T CA -0.247 61.843 62.100 -0.015 0.000 1.168 339 T CB 0.623 69.489 68.868 -0.004 0.000 0.911 339 T HN -0.030 nan 8.240 nan 0.000 0.535 340 L N 5.667 126.880 121.223 -0.016 0.000 2.367 340 L HA 0.237 4.577 4.340 -0.001 0.000 0.275 340 L C 0.776 177.654 176.870 0.013 0.000 1.129 340 L CA 0.215 55.038 54.840 -0.029 0.000 0.839 340 L CB 0.280 42.329 42.059 -0.016 0.000 1.133 340 L HN 0.566 nan 8.230 nan 0.000 0.453 341 I N 2.827 123.423 120.570 0.044 0.000 3.445 341 I HA 0.405 4.575 4.170 -0.001 0.000 0.288 341 I C 0.998 177.188 176.117 0.123 0.000 1.198 341 I CA 0.855 62.228 61.300 0.122 0.000 1.417 341 I CB -0.650 37.495 38.000 0.243 0.000 1.205 341 I HN 0.691 nan 8.210 nan 0.000 0.448 342 G N -0.674 108.190 108.800 0.108 0.000 2.427 342 G HA2 0.403 4.363 3.960 -0.001 0.000 0.306 342 G HA3 0.403 4.363 3.960 -0.001 0.000 0.306 342 G C -2.128 172.732 174.900 -0.067 0.000 1.280 342 G CA -0.485 44.667 45.100 0.087 0.000 0.837 342 G HN -0.081 nan 8.290 nan 0.000 0.482 343 Y N -0.880 119.457 120.300 0.061 0.000 2.409 343 Y HA 0.584 5.134 4.550 -0.001 0.000 0.343 343 Y C 0.171 176.098 175.900 0.045 0.000 0.973 343 Y CA -0.798 57.347 58.100 0.076 0.000 1.064 343 Y CB 2.703 41.196 38.460 0.055 0.000 1.207 343 Y HN 0.318 nan 8.280 nan 0.000 0.452 344 V N 4.171 124.205 119.914 0.200 0.000 2.407 344 V HA 0.151 4.270 4.120 -0.001 0.000 0.278 344 V C 0.963 177.172 176.094 0.192 0.000 1.037 344 V CA -0.711 61.697 62.300 0.180 0.000 0.900 344 V CB 1.572 33.513 31.823 0.197 0.000 0.983 344 V HN 0.869 nan 8.190 nan 0.000 0.459 345 K N 2.773 123.274 120.400 0.169 0.000 2.097 345 K HA -0.037 4.283 4.320 -0.001 0.000 0.205 345 K C 0.791 177.429 176.600 0.063 0.000 1.050 345 K CA 1.356 57.711 56.287 0.114 0.000 0.938 345 K CB 0.278 32.840 32.500 0.102 0.000 0.718 345 K HN 0.697 nan 8.250 nan 0.000 0.442 346 T N -0.438 114.124 114.554 0.013 0.000 2.864 346 T HA 0.261 4.611 4.350 -0.001 0.000 0.299 346 T C -1.609 172.910 174.700 -0.303 0.000 1.166 346 T CA -0.933 61.072 62.100 -0.160 0.000 1.007 346 T CB 1.285 69.992 68.868 -0.268 0.000 1.219 346 T HN 0.051 nan 8.240 nan 0.000 0.506 347 N N 1.708 120.202 118.700 -0.344 0.000 2.497 347 N HA 0.328 5.068 4.740 -0.001 0.000 0.268 347 N C -1.433 173.520 175.510 -0.928 0.000 1.171 347 N CA 0.396 53.124 53.050 -0.536 0.000 0.948 347 N CB 0.007 38.184 38.487 -0.516 0.000 1.069 347 N HN 0.456 nan 8.380 nan 0.000 0.460 348 Y N 1.744 121.644 120.300 -0.667 0.000 2.350 348 Y HA 0.363 4.912 4.550 -0.001 0.000 0.338 348 Y C -0.652 174.839 175.900 -0.682 0.000 0.961 348 Y CA -0.764 57.004 58.100 -0.553 0.000 1.100 348 Y CB 0.920 39.202 38.460 -0.298 0.000 1.179 348 Y HN 0.397 nan 8.280 nan 0.000 0.454 349 Y N 0.799 121.032 120.300 -0.112 0.000 2.446 349 Y HA 0.349 4.898 4.550 -0.001 0.000 0.338 349 Y C 0.984 176.724 175.900 -0.267 0.000 1.055 349 Y CA -1.134 56.801 58.100 -0.274 0.000 1.101 349 Y CB 1.056 39.368 38.460 -0.247 0.000 1.221 349 Y HN 0.406 nan 8.280 nan 0.000 0.460 350 V N 1.160 120.983 119.914 -0.152 0.000 2.255 350 V HA -0.245 3.874 4.120 -0.001 0.000 0.247 350 V C 0.861 177.046 176.094 0.152 0.000 1.051 350 V CA 2.683 64.942 62.300 -0.069 0.000 1.018 350 V CB -0.309 31.522 31.823 0.013 0.000 0.641 350 V HN 0.992 nan 8.190 nan 0.000 0.445 351 D N -4.405 116.023 120.400 0.047 0.000 2.567 351 D HA 0.010 4.650 4.640 -0.001 0.000 0.268 351 D C 1.002 177.466 176.300 0.274 0.000 1.448 351 D CA -0.255 53.857 54.000 0.186 0.000 0.811 351 D CB -0.642 40.308 40.800 0.250 0.000 1.192 351 D HN 0.312 nan 8.370 nan 0.000 0.488 352 Y N 1.311 121.657 120.300 0.077 0.000 2.509 352 Y HA 0.181 4.730 4.550 -0.001 0.000 0.293 352 Y C 1.254 177.199 175.900 0.076 0.000 1.133 352 Y CA -0.169 57.909 58.100 -0.037 0.000 1.283 352 Y CB -0.157 37.999 38.460 -0.507 0.000 1.001 352 Y HN 0.092 nan 8.280 nan 0.000 0.555 353 V N -3.261 116.691 119.914 0.063 0.000 3.007 353 V HA 0.646 4.766 4.120 -0.001 0.000 0.311 353 V C -2.775 173.020 176.094 -0.499 0.000 1.120 353 V CA -2.742 59.280 62.300 -0.463 0.000 0.980 353 V CB 2.372 33.831 31.823 -0.608 0.000 1.033 353 V HN -0.326 nan 8.190 nan 0.000 0.429 354 P HA 0.322 nan 4.420 nan 0.000 0.275 354 P C 0.958 178.219 177.300 -0.065 0.000 1.266 354 P CA -0.291 62.579 63.100 -0.382 0.000 0.793 354 P CB 0.886 32.327 31.700 -0.432 0.000 1.074 355 I N -2.014 118.575 120.570 0.031 0.000 2.916 355 I HA -0.080 4.090 4.170 -0.001 0.000 0.267 355 I C 1.025 177.200 176.117 0.095 0.000 1.263 355 I CA 1.439 62.814 61.300 0.125 0.000 1.471 355 I CB -1.193 36.858 38.000 0.085 0.000 1.089 355 I HN 0.110 nan 8.210 nan 0.000 0.468 356 D N -0.859 119.571 120.400 0.050 0.000 2.363 356 D HA -0.046 4.594 4.640 -0.001 0.000 0.214 356 D C 0.598 176.929 176.300 0.052 0.000 1.093 356 D CA -0.024 54.001 54.000 0.041 0.000 0.837 356 D CB -0.666 40.142 40.800 0.014 0.000 0.948 356 D HN 0.487 nan 8.370 nan 0.000 0.507 357 H N 1.660 120.713 119.070 -0.029 0.000 2.487 357 H HA 0.163 4.719 4.556 0.001 0.000 0.333 357 H C -1.689 173.655 175.328 0.027 0.000 1.114 357 H CA -1.501 54.532 56.048 -0.026 0.000 1.310 357 H CB 2.282 31.995 29.762 -0.081 0.000 1.462 357 H HN -0.208 nan 8.280 nan 0.000 0.516 358 P HA -0.068 nan 4.420 nan 0.000 0.226 358 P C 0.289 177.721 177.300 0.220 0.000 1.153 358 P CA 1.109 64.234 63.100 0.041 0.000 0.777 358 P CB 0.310 31.969 31.700 -0.069 0.000 0.794 359 K N -0.301 120.342 120.400 0.405 0.000 2.437 359 K HA 0.153 4.473 4.320 -0.001 0.000 0.198 359 K C 0.797 177.549 176.600 0.253 0.000 1.024 359 K CA -0.064 56.353 56.287 0.216 0.000 1.148 359 K CB 0.165 32.792 32.500 0.212 0.000 0.860 359 K HN -0.022 nan 8.250 nan 0.000 0.515 360 S N 1.232 117.107 115.700 0.291 0.000 2.513 360 S HA 0.111 4.580 4.470 -0.001 0.000 0.276 360 S C 1.141 175.809 174.600 0.113 0.000 1.254 360 S CA -0.601 57.710 58.200 0.185 0.000 1.053 360 S CB 0.608 63.922 63.200 0.190 0.000 0.958 360 S HN 0.200 nan 8.310 nan 0.000 0.491 361 I N 5.443 125.957 120.570 -0.092 0.000 2.361 361 I HA -0.025 4.145 4.170 -0.001 0.000 0.251 361 I C 1.142 177.042 176.117 -0.362 0.000 1.133 361 I CA 1.486 62.598 61.300 -0.313 0.000 1.413 361 I CB -0.597 37.125 38.000 -0.463 0.000 1.073 361 I HN 0.768 nan 8.210 nan 0.000 0.424 362 F N 0.255 120.207 119.950 0.004 0.000 2.259 362 F HA -0.115 4.411 4.527 -0.001 0.000 0.298 362 F C 2.451 178.236 175.800 -0.025 0.000 1.088 362 F CA 1.372 59.369 58.000 -0.004 0.000 1.358 362 F CB -1.311 37.698 39.000 0.016 0.000 1.040 362 F HN 0.227 nan 8.300 nan 0.000 0.505 363 N N 0.804 119.589 118.700 0.142 0.000 2.106 363 N HA -0.172 4.568 4.740 -0.001 0.000 0.188 363 N C 2.076 177.570 175.510 -0.027 0.000 1.029 363 N CA 0.919 54.011 53.050 0.070 0.000 0.848 363 N CB -0.218 38.325 38.487 0.093 0.000 1.007 363 N HN 0.231 nan 8.380 nan 0.000 0.423 364 L N 1.822 122.975 121.223 -0.116 0.000 2.013 364 L HA -0.133 4.206 4.340 -0.001 0.000 0.212 364 L C 2.298 178.969 176.870 -0.331 0.000 1.073 364 L CA 1.371 56.013 54.840 -0.331 0.000 0.753 364 L CB -0.684 40.943 42.059 -0.720 0.000 0.890 364 L HN 0.198 nan 8.230 nan 0.000 0.432 365 L N -0.813 120.272 121.223 -0.229 0.000 2.012 365 L HA -0.208 4.132 4.340 -0.001 0.000 0.210 365 L C 2.623 179.443 176.870 -0.084 0.000 1.073 365 L CA 1.402 56.159 54.840 -0.140 0.000 0.748 365 L CB -0.908 41.149 42.059 -0.003 0.000 0.891 365 L HN 0.383 nan 8.230 nan 0.000 0.431 366 A N -0.748 122.054 122.820 -0.031 0.000 1.968 366 A HA -0.125 4.194 4.320 -0.001 0.000 0.217 366 A C 2.128 179.683 177.584 -0.049 0.000 1.169 366 A CA 1.300 53.325 52.037 -0.021 0.000 0.638 366 A CB -0.364 18.643 19.000 0.013 0.000 0.812 366 A HN 0.335 nan 8.150 nan 0.000 0.446 367 L N -1.921 119.262 121.223 -0.066 0.000 2.253 367 L HA 0.209 4.548 4.340 -0.001 0.000 0.205 367 L C 1.840 178.663 176.870 -0.078 0.000 1.078 367 L CA 1.825 56.630 54.840 -0.058 0.000 0.805 367 L CB 0.003 42.038 42.059 -0.039 0.000 0.963 367 L HN 0.245 nan 8.230 nan 0.000 0.459 368 K N -1.619 118.690 120.400 -0.151 0.000 2.485 368 K HA 0.289 4.609 4.320 -0.001 0.000 0.200 368 K C 1.853 178.320 176.600 -0.222 0.000 1.344 368 K CA 0.510 56.695 56.287 -0.171 0.000 0.948 368 K CB 0.440 32.803 32.500 -0.228 0.000 1.454 368 K HN 0.078 nan 8.250 nan 0.000 0.502 369 I N 1.621 121.982 120.570 -0.349 0.000 2.277 369 I HA -0.179 3.990 4.170 -0.001 0.000 0.243 369 I C 2.073 178.111 176.117 -0.132 0.000 1.094 369 I CA 1.105 62.234 61.300 -0.285 0.000 1.393 369 I CB -0.110 37.665 38.000 -0.374 0.000 1.078 369 I HN 0.047 nan 8.210 nan 0.000 0.417 370 L N 0.720 121.872 121.223 -0.118 0.000 2.131 370 L HA -0.200 4.140 4.340 -0.001 0.000 0.210 370 L C 2.401 179.179 176.870 -0.152 0.000 1.092 370 L CA 1.343 56.107 54.840 -0.127 0.000 0.759 370 L CB -0.594 41.401 42.059 -0.106 0.000 0.903 370 L HN 0.193 nan 8.230 nan 0.000 0.435 371 K N -0.310 120.024 120.400 -0.110 0.000 2.280 371 K HA -0.143 4.177 4.320 -0.001 0.000 0.202 371 K C 1.953 178.512 176.600 -0.069 0.000 1.047 371 K CA 1.726 57.962 56.287 -0.085 0.000 0.942 371 K CB -0.278 32.188 32.500 -0.057 0.000 0.739 371 K HN 0.495 nan 8.250 nan 0.000 0.457 372 T N -0.856 113.662 114.554 -0.060 0.000 3.113 372 T HA 0.020 4.370 4.350 -0.001 0.000 0.256 372 T C 0.691 175.358 174.700 -0.056 0.000 1.131 372 T CA -0.281 61.799 62.100 -0.032 0.000 1.074 372 T CB -0.088 68.788 68.868 0.013 0.000 0.944 372 T HN -0.095 nan 8.240 nan 0.000 0.516 373 L N 3.347 124.503 121.223 -0.111 0.000 2.540 373 L HA 0.294 4.633 4.340 -0.001 0.000 0.276 373 L C -2.225 174.595 176.870 -0.084 0.000 1.212 373 L CA -1.925 52.828 54.840 -0.145 0.000 0.893 373 L CB 0.048 41.918 42.059 -0.315 0.000 1.138 373 L HN 0.045 nan 8.230 nan 0.000 0.491 374 P HA 0.142 nan 4.420 nan 0.000 0.267 374 P C -1.314 175.939 177.300 -0.078 0.000 1.200 374 P CA 0.012 63.062 63.100 -0.083 0.000 0.772 374 P CB 0.458 32.093 31.700 -0.109 0.000 0.855 375 K N 1.232 121.597 120.400 -0.060 0.000 2.502 375 K HA 0.448 4.767 4.320 -0.001 0.000 0.257 375 K C -0.769 175.802 176.600 -0.048 0.000 0.938 375 K CA -0.546 55.727 56.287 -0.024 0.000 0.819 375 K CB 1.411 33.907 32.500 -0.007 0.000 1.333 375 K HN 0.306 nan 8.250 nan 0.000 0.434 376 S N 2.285 117.963 115.700 -0.036 0.000 2.603 376 S HA 0.104 4.574 4.470 -0.001 0.000 0.268 376 S C 0.968 175.521 174.600 -0.079 0.000 1.317 376 S CA -0.715 57.452 58.200 -0.054 0.000 1.012 376 S CB 1.221 64.405 63.200 -0.027 0.000 0.926 376 S HN 0.534 nan 8.310 nan 0.000 0.539 377 K N 1.409 121.715 120.400 -0.157 0.000 2.020 377 K HA -0.131 4.188 4.320 -0.001 0.000 0.212 377 K C 1.358 177.790 176.600 -0.279 0.000 1.050 377 K CA 1.731 57.853 56.287 -0.275 0.000 0.929 377 K CB -0.475 31.752 32.500 -0.454 0.000 0.714 377 K HN 0.623 nan 8.250 nan 0.000 0.443 378 H N 0.132 119.200 119.070 -0.003 0.000 2.539 378 H HA 0.115 4.670 4.556 -0.001 0.000 0.269 378 H C 0.177 175.505 175.328 0.001 0.000 0.980 378 H CA -0.166 55.880 56.048 -0.002 0.000 1.152 378 H CB 0.054 29.815 29.762 -0.002 0.000 1.407 378 H HN 0.324 nan 8.280 nan 0.000 0.564 379 E N 2.040 122.282 120.200 0.069 0.000 2.376 379 E HA 0.018 4.368 4.350 -0.001 0.000 0.266 379 E C -0.468 176.155 176.600 0.039 0.000 1.009 379 E CA -0.010 56.425 56.400 0.058 0.000 0.902 379 E CB 0.659 30.390 29.700 0.052 0.000 0.972 379 E HN 0.370 nan 8.360 nan 0.000 0.439 380 E N 4.292 124.510 120.200 0.031 0.000 2.166 380 E HA 0.343 4.692 4.350 -0.001 0.000 0.275 380 E C -0.480 176.114 176.600 -0.011 0.000 0.941 380 E CA -0.568 55.836 56.400 0.006 0.000 0.784 380 E CB 1.493 31.194 29.700 0.001 0.000 1.115 380 E HN 0.474 nan 8.360 nan 0.000 0.399 381 R N 1.983 122.463 120.500 -0.033 0.000 2.739 381 R HA 0.660 4.999 4.340 -0.001 0.000 0.271 381 R C -1.221 175.032 176.300 -0.079 0.000 1.010 381 R CA -0.834 55.225 56.100 -0.069 0.000 0.897 381 R CB 1.165 31.404 30.300 -0.102 0.000 1.236 381 R HN 0.363 nan 8.270 nan 0.000 0.466 382 I N 1.416 121.931 120.570 -0.091 0.000 2.478 382 I HA 0.285 4.455 4.170 -0.001 0.000 0.287 382 I C -0.778 175.287 176.117 -0.086 0.000 1.042 382 I CA -0.744 60.509 61.300 -0.078 0.000 1.067 382 I CB 2.694 40.657 38.000 -0.062 0.000 1.233 382 I HN 0.652 nan 8.210 nan 0.000 0.431 383 T N 6.957 121.453 114.554 -0.097 0.000 2.794 383 T HA 0.644 4.994 4.350 -0.001 0.000 0.280 383 T C -0.209 174.479 174.700 -0.021 0.000 0.987 383 T CA -0.287 61.757 62.100 -0.093 0.000 0.993 383 T CB 1.191 69.933 68.868 -0.211 0.000 0.939 383 T HN 0.264 nan 8.240 nan 0.000 0.449 384 I N 4.447 125.044 120.570 0.045 0.000 2.465 384 I HA 0.586 4.756 4.170 -0.001 0.000 0.291 384 I C -0.357 175.734 176.117 -0.043 0.000 1.014 384 I CA -1.141 60.164 61.300 0.008 0.000 1.093 384 I CB 1.718 39.711 38.000 -0.012 0.000 1.267 384 I HN 0.599 nan 8.210 nan 0.000 0.431 385 I N 3.109 123.628 120.570 -0.085 0.000 2.828 385 I HA 0.545 4.715 4.170 -0.001 0.000 0.302 385 I C -0.787 175.311 176.117 -0.031 0.000 1.101 385 I CA -0.889 60.284 61.300 -0.212 0.000 1.031 385 I CB 2.124 40.036 38.000 -0.146 0.000 1.231 385 I HN 0.501 nan 8.210 nan 0.000 0.427 386 N N 2.342 121.088 118.700 0.076 0.000 2.525 386 N HA 0.048 4.788 4.740 -0.001 0.000 0.271 386 N C 0.785 176.392 175.510 0.161 0.000 1.194 386 N CA 0.209 53.330 53.050 0.118 0.000 0.964 386 N CB 1.462 40.063 38.487 0.189 0.000 1.126 386 N HN 0.911 nan 8.380 nan 0.000 0.452 387 T N -1.534 113.012 114.554 -0.013 0.000 2.881 387 T HA -0.051 4.298 4.350 -0.001 0.000 0.270 387 T C 1.845 176.692 174.700 0.246 0.000 1.068 387 T CA 1.075 63.105 62.100 -0.116 0.000 1.131 387 T CB -0.858 67.675 68.868 -0.558 0.000 0.871 387 T HN 0.655 nan 8.240 nan 0.000 0.479 388 G N 1.490 110.420 108.800 0.216 0.000 2.625 388 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.214 388 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.214 388 G C 1.683 176.816 174.900 0.388 0.000 1.132 388 G CA 0.801 46.065 45.100 0.274 0.000 0.782 388 G HN 0.713 nan 8.290 nan 0.000 0.538 389 S N -0.394 115.574 115.700 0.447 0.000 2.562 389 S HA 0.258 4.727 4.470 -0.001 0.000 0.221 389 S C 0.741 175.653 174.600 0.519 0.000 0.975 389 S CA -0.147 58.388 58.200 0.558 0.000 0.918 389 S CB 0.157 63.708 63.200 0.584 0.000 0.772 389 S HN 0.029 nan 8.310 nan 0.000 0.531 390 I N 2.705 123.548 120.570 0.454 0.000 2.339 390 I HA 0.450 4.619 4.170 -0.001 0.000 0.290 390 I C 0.650 176.950 176.117 0.305 0.000 0.994 390 I CA -0.359 61.127 61.300 0.310 0.000 1.191 390 I CB 1.554 39.674 38.000 0.200 0.000 1.343 390 I HN 0.174 nan 8.210 nan 0.000 0.458 391 R N 4.608 125.256 120.500 0.246 0.000 2.397 391 R HA 0.236 4.576 4.340 -0.001 0.000 0.241 391 R C -0.674 175.920 176.300 0.490 0.000 0.914 391 R CA -0.046 56.250 56.100 0.327 0.000 1.071 391 R CB 0.459 30.858 30.300 0.165 0.000 1.116 391 R HN 0.583 nan 8.270 nan 0.000 0.524 392 Y N -0.330 120.082 120.300 0.187 0.000 2.677 392 Y HA 0.182 4.732 4.550 -0.000 0.000 0.334 392 Y C -1.183 174.757 175.900 0.067 0.000 1.196 392 Y CA -1.561 56.661 58.100 0.204 0.000 1.059 392 Y CB 1.358 39.979 38.460 0.268 0.000 1.315 392 Y HN -0.095 nan 8.280 nan 0.000 0.455 393 D N 2.414 122.541 120.400 -0.455 0.000 2.357 393 D HA 0.174 4.813 4.640 -0.001 0.000 0.242 393 D C -0.862 175.288 176.300 -0.250 0.000 1.153 393 D CA -0.089 53.629 54.000 -0.470 0.000 0.918 393 D CB 1.590 41.891 40.800 -0.831 0.000 1.181 393 D HN 0.349 nan 8.370 nan 0.000 0.435 394 L N 2.892 123.964 121.223 -0.252 0.000 2.287 394 L HA 0.191 4.531 4.340 -0.001 0.000 0.280 394 L C -1.207 175.597 176.870 -0.110 0.000 1.055 394 L CA -0.463 54.356 54.840 -0.035 0.000 0.863 394 L CB -0.301 41.774 42.059 0.026 0.000 1.245 394 L HN 0.182 nan 8.230 nan 0.000 0.432 395 Y N 3.692 124.063 120.300 0.119 0.000 2.336 395 Y HA 0.225 4.774 4.550 -0.000 0.000 0.331 395 Y C 0.877 176.843 175.900 0.110 0.000 1.211 395 Y CA -0.177 57.974 58.100 0.086 0.000 1.346 395 Y CB 0.651 39.200 38.460 0.148 0.000 1.271 395 Y HN 0.543 nan 8.280 nan 0.000 0.538 396 K N 1.697 122.240 120.400 0.239 0.000 2.276 396 K HA 0.534 4.854 4.320 -0.001 0.000 0.259 396 K C 0.555 177.289 176.600 0.223 0.000 1.001 396 K CA 0.185 56.587 56.287 0.191 0.000 0.927 396 K CB 0.327 32.903 32.500 0.127 0.000 0.969 396 K HN 0.881 nan 8.250 nan 0.000 0.490 397 G N 0.510 109.452 108.800 0.238 0.000 2.512 397 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.210 397 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.210 397 G C -2.754 172.230 174.900 0.140 0.000 1.295 397 G CA -0.526 44.744 45.100 0.284 0.000 0.934 397 G HN 0.641 nan 8.290 nan 0.000 0.554 398 P HA 0.307 nan 4.420 nan 0.000 0.265 398 P C -1.139 176.084 177.300 -0.128 0.000 1.193 398 P CA 0.595 63.426 63.100 -0.450 0.000 0.765 398 P CB 0.433 31.986 31.700 -0.245 0.000 0.823 399 Y N 3.107 123.231 120.300 -0.292 0.000 2.326 399 Y HA 0.429 4.979 4.550 0.000 0.000 0.331 399 Y C 0.014 175.846 175.900 -0.114 0.000 0.962 399 Y CA -0.265 57.765 58.100 -0.117 0.000 1.167 399 Y CB 1.294 39.717 38.460 -0.062 0.000 1.148 399 Y HN 0.440 nan 8.280 nan 0.000 0.463 400 T N 1.977 116.265 114.554 -0.443 0.000 2.922 400 T HA 0.387 4.737 4.350 -0.001 0.000 0.281 400 T C 1.304 175.755 174.700 -0.415 0.000 1.005 400 T CA -0.695 61.217 62.100 -0.313 0.000 0.982 400 T CB 1.060 69.815 68.868 -0.188 0.000 1.158 400 T HN 0.699 nan 8.240 nan 0.000 0.566 401 I N 0.448 120.902 120.570 -0.193 0.000 2.194 401 I HA -0.184 3.985 4.170 -0.001 0.000 0.246 401 I C 2.451 178.531 176.117 -0.062 0.000 1.093 401 I CA 1.934 63.172 61.300 -0.102 0.000 1.355 401 I CB -0.420 37.585 38.000 0.010 0.000 1.046 401 I HN 0.760 nan 8.210 nan 0.000 0.413 402 D N 0.605 120.949 120.400 -0.093 0.000 2.117 402 D HA -0.151 4.489 4.640 -0.001 0.000 0.197 402 D C 2.248 178.439 176.300 -0.181 0.000 0.987 402 D CA 1.370 55.316 54.000 -0.090 0.000 0.829 402 D CB 0.074 40.763 40.800 -0.185 0.000 0.961 402 D HN 0.126 nan 8.370 nan 0.000 0.460 403 S N -0.139 115.360 115.700 -0.336 0.000 2.387 403 S HA -0.210 4.260 4.470 -0.001 0.000 0.230 403 S C 1.779 176.192 174.600 -0.312 0.000 1.035 403 S CA 1.168 59.137 58.200 -0.385 0.000 1.014 403 S CB -0.256 62.505 63.200 -0.732 0.000 0.836 403 S HN 0.350 nan 8.310 nan 0.000 0.466 404 K N 0.259 120.413 120.400 -0.411 0.000 2.032 404 K HA -0.132 4.188 4.320 -0.001 0.000 0.209 404 K C 1.604 177.996 176.600 -0.347 0.000 1.048 404 K CA 1.604 57.711 56.287 -0.300 0.000 0.927 404 K CB -0.259 31.966 32.500 -0.458 0.000 0.712 404 K HN 0.336 nan 8.250 nan 0.000 0.441 405 F N 0.754 120.577 119.950 -0.213 0.000 2.259 405 F HA -0.015 4.512 4.527 -0.000 0.000 0.298 405 F C 2.053 177.648 175.800 -0.341 0.000 1.088 405 F CA 0.649 58.483 58.000 -0.275 0.000 1.358 405 F CB -0.139 38.674 39.000 -0.312 0.000 1.040 405 F HN -0.008 nan 8.300 nan 0.000 0.505 406 I N -0.914 119.547 120.570 -0.182 0.000 2.252 406 I HA -0.217 3.953 4.170 -0.001 0.000 0.245 406 I C 2.100 178.188 176.117 -0.048 0.000 1.102 406 I CA 0.862 61.998 61.300 -0.274 0.000 1.385 406 I CB -0.280 37.513 38.000 -0.346 0.000 1.064 406 I HN -0.065 nan 8.210 nan 0.000 0.414 407 V N -1.303 118.619 119.914 0.013 0.000 2.426 407 V HA -0.038 4.082 4.120 -0.001 0.000 0.242 407 V C 1.130 177.238 176.094 0.023 0.000 1.036 407 V CA 1.095 63.451 62.300 0.093 0.000 1.044 407 V CB 0.205 32.102 31.823 0.124 0.000 0.688 407 V HN 0.332 nan 8.190 nan 0.000 0.462 408 S N 0.583 116.251 115.700 -0.054 0.000 2.158 408 S HA 0.344 4.814 4.470 -0.001 0.000 0.160 408 S C -1.807 172.663 174.600 -0.217 0.000 1.693 408 S CA -1.003 57.153 58.200 -0.073 0.000 1.251 408 S CB 1.172 64.382 63.200 0.017 0.000 1.153 408 S HN 0.276 nan 8.310 nan 0.000 0.439 409 P HA 0.131 nan 4.420 nan 0.000 0.231 409 P C -0.082 176.954 177.300 -0.440 0.000 1.168 409 P CA 0.174 63.014 63.100 -0.434 0.000 0.779 409 P CB -0.103 31.214 31.700 -0.639 0.000 0.844 410 F N 0.965 120.824 119.950 -0.151 0.000 2.410 410 F HA 0.225 4.752 4.527 -0.001 0.000 0.348 410 F C 1.369 176.910 175.800 -0.431 0.000 1.106 410 F CA -0.721 57.117 58.000 -0.270 0.000 1.163 410 F CB 0.278 39.085 39.000 -0.321 0.000 1.129 410 F HN -0.241 nan 8.300 nan 0.000 0.516 411 E N 2.104 122.104 120.200 -0.334 0.000 2.452 411 E HA 0.067 4.416 4.350 -0.001 0.000 0.293 411 E C -0.702 175.596 176.600 -0.503 0.000 1.535 411 E CA -0.231 55.655 56.400 -0.856 0.000 1.816 411 E CB -0.470 28.805 29.700 -0.708 0.000 1.494 411 E HN 0.633 nan 8.360 nan 0.000 0.464 412 N N 1.814 120.276 118.700 -0.397 0.000 2.458 412 N HA 0.176 4.916 4.740 -0.001 0.000 0.270 412 N C 0.194 175.600 175.510 -0.173 0.000 1.102 412 N CA -0.240 52.603 53.050 -0.345 0.000 0.967 412 N CB 0.981 38.963 38.487 -0.842 0.000 1.078 412 N HN 0.282 nan 8.380 nan 0.000 0.471 413 I N -1.898 118.657 120.570 -0.025 0.000 3.078 413 I HA 0.573 4.743 4.170 -0.001 0.000 0.318 413 I C -0.768 175.290 176.117 -0.099 0.000 1.016 413 I CA -0.928 60.387 61.300 0.026 0.000 1.130 413 I CB 0.848 38.951 38.000 0.171 0.000 1.397 413 I HN 0.396 nan 8.210 nan 0.000 0.570 414 W N 2.722 124.149 121.300 0.213 0.000 2.478 414 W HA 0.628 5.288 4.660 0.000 0.000 0.318 414 W C -0.308 176.239 176.519 0.046 0.000 1.062 414 W CA -0.627 56.803 57.345 0.142 0.000 1.210 414 W CB 1.618 31.192 29.460 0.190 0.000 1.325 414 W HN 0.465 nan 8.180 nan 0.000 0.496 415 V N 0.768 120.704 119.914 0.037 0.000 3.158 415 V HA 0.759 4.879 4.120 -0.001 0.000 0.315 415 V C -0.628 175.178 176.094 -0.479 0.000 1.148 415 V CA -1.196 61.016 62.300 -0.147 0.000 1.042 415 V CB 1.787 33.496 31.823 -0.190 0.000 1.101 415 V HN 0.756 nan 8.190 nan 0.000 0.448 416 N N -0.143 118.367 118.700 -0.316 0.000 2.494 416 N HA 0.751 5.490 4.740 -0.001 0.000 0.270 416 N C -1.653 173.837 175.510 -0.034 0.000 1.285 416 N CA -1.037 51.838 53.050 -0.291 0.000 0.812 416 N CB 2.505 40.872 38.487 -0.200 0.000 1.557 416 N HN 0.772 nan 8.380 nan 0.000 0.487 417 I N 0.484 121.112 120.570 0.097 0.000 2.647 417 I HA 0.348 4.518 4.170 -0.001 0.000 0.295 417 I C -0.620 175.552 176.117 0.093 0.000 1.078 417 I CA -0.812 60.576 61.300 0.147 0.000 1.048 417 I CB 2.558 40.698 38.000 0.234 0.000 1.239 417 I HN 0.570 nan 8.210 nan 0.000 0.421 418 T N 5.376 119.981 114.554 0.085 0.000 2.749 418 T HA 0.573 4.923 4.350 -0.001 0.000 0.287 418 T C -0.347 174.380 174.700 0.046 0.000 0.970 418 T CA -0.489 61.643 62.100 0.053 0.000 0.980 418 T CB 1.046 69.951 68.868 0.061 0.000 0.924 418 T HN 0.437 nan 8.240 nan 0.000 0.456 419 V N 1.792 121.686 119.914 -0.033 0.000 3.159 419 V HA 0.777 4.896 4.120 -0.001 0.000 0.308 419 V C -3.154 172.859 176.094 -0.136 0.000 1.190 419 V CA -3.357 58.856 62.300 -0.145 0.000 1.037 419 V CB 1.774 33.328 31.823 -0.449 0.000 1.060 419 V HN 0.435 nan 8.190 nan 0.000 0.437 420 P HA 0.215 nan 4.420 nan 0.000 0.269 420 P C 0.528 177.754 177.300 -0.123 0.000 1.209 420 P CA -0.100 62.945 63.100 -0.090 0.000 0.776 420 P CB 0.638 32.305 31.700 -0.054 0.000 0.876 421 K N 2.058 122.410 120.400 -0.079 0.000 2.089 421 K HA -0.216 4.103 4.320 -0.001 0.000 0.210 421 K C 1.795 178.343 176.600 -0.088 0.000 1.048 421 K CA 2.317 58.558 56.287 -0.077 0.000 0.926 421 K CB -0.441 32.029 32.500 -0.050 0.000 0.714 421 K HN 0.544 nan 8.250 nan 0.000 0.448 422 S N -0.282 115.371 115.700 -0.078 0.000 2.400 422 S HA -0.132 4.337 4.470 -0.001 0.000 0.232 422 S C 1.922 176.459 174.600 -0.105 0.000 1.025 422 S CA 1.548 59.705 58.200 -0.073 0.000 0.993 422 S CB -0.445 62.726 63.200 -0.047 0.000 0.808 422 S HN 0.149 nan 8.310 nan 0.000 0.478 423 V N 2.050 121.864 119.914 -0.167 0.000 2.426 423 V HA 0.153 4.273 4.120 -0.001 0.000 0.242 423 V C 3.066 179.024 176.094 -0.227 0.000 1.036 423 V CA 1.051 63.205 62.300 -0.242 0.000 1.044 423 V CB -1.432 30.090 31.823 -0.500 0.000 0.688 423 V HN 0.596 nan 8.190 nan 0.000 0.462 424 A N 1.378 124.068 122.820 -0.216 0.000 1.940 424 A HA -0.251 4.069 4.320 -0.001 0.000 0.219 424 A C 2.377 179.887 177.584 -0.124 0.000 1.176 424 A CA 2.603 54.539 52.037 -0.168 0.000 0.631 424 A CB -1.081 17.840 19.000 -0.132 0.000 0.814 424 A HN 0.646 nan 8.150 nan 0.000 0.446 425 T N -3.127 111.364 114.554 -0.105 0.000 3.113 425 T HA 0.025 4.374 4.350 -0.001 0.000 0.263 425 T C 1.351 176.003 174.700 -0.080 0.000 1.143 425 T CA 1.194 63.246 62.100 -0.080 0.000 1.090 425 T CB -0.024 68.804 68.868 -0.066 0.000 0.922 425 T HN 0.351 nan 8.240 nan 0.000 0.521 426 K N 0.581 120.921 120.400 -0.099 0.000 2.354 426 K HA 0.341 4.661 4.320 -0.001 0.000 0.194 426 K C 2.072 178.608 176.600 -0.106 0.000 1.038 426 K CA 0.142 56.372 56.287 -0.095 0.000 1.052 426 K CB -0.137 32.300 32.500 -0.104 0.000 0.861 426 K HN 0.302 nan 8.250 nan 0.000 0.535 427 V N 1.891 121.732 119.914 -0.121 0.000 2.270 427 V HA -0.219 3.900 4.120 -0.001 0.000 0.245 427 V C 2.450 178.485 176.094 -0.098 0.000 1.043 427 V CA 2.189 64.409 62.300 -0.133 0.000 1.014 427 V CB -0.737 30.992 31.823 -0.157 0.000 0.645 427 V HN 0.255 nan 8.190 nan 0.000 0.447 428 A N 0.018 122.790 122.820 -0.079 0.000 1.908 428 A HA -0.161 4.159 4.320 -0.001 0.000 0.218 428 A C 2.413 179.977 177.584 -0.033 0.000 1.181 428 A CA 2.226 54.230 52.037 -0.054 0.000 0.627 428 A CB -0.838 18.132 19.000 -0.050 0.000 0.818 428 A HN 0.593 nan 8.150 nan 0.000 0.445 429 A N -0.380 122.417 122.820 -0.038 0.000 1.933 429 A HA -0.155 4.165 4.320 -0.001 0.000 0.218 429 A C 2.064 179.644 177.584 -0.007 0.000 1.175 429 A CA 2.357 54.382 52.037 -0.021 0.000 0.628 429 A CB -0.378 18.605 19.000 -0.029 0.000 0.814 429 A HN 0.444 nan 8.150 nan 0.000 0.444 430 K N 0.159 120.537 120.400 -0.037 0.000 2.057 430 K HA 0.019 4.339 4.320 -0.001 0.000 0.207 430 K C 1.667 178.298 176.600 0.052 0.000 1.049 430 K CA 1.432 57.695 56.287 -0.040 0.000 0.931 430 K CB -0.589 31.814 32.500 -0.162 0.000 0.714 430 K HN 0.462 nan 8.250 nan 0.000 0.440 431 L N 0.636 121.879 121.223 0.033 0.000 2.201 431 L HA -0.096 4.243 4.340 -0.001 0.000 0.212 431 L C 1.499 178.488 176.870 0.198 0.000 1.105 431 L CA 0.804 55.688 54.840 0.074 0.000 0.775 431 L CB -0.372 41.716 42.059 0.049 0.000 0.913 431 L HN 0.194 nan 8.230 nan 0.000 0.440 432 N N -0.755 118.013 118.700 0.112 0.000 2.463 432 N HA -0.025 4.714 4.740 -0.001 0.000 0.181 432 N C 0.408 175.990 175.510 0.121 0.000 1.078 432 N CA 0.335 53.444 53.050 0.098 0.000 0.902 432 N CB -0.129 38.377 38.487 0.031 0.000 0.970 432 N HN 0.239 nan 8.380 nan 0.000 0.451 437 I N 5.041 125.396 120.570 -0.358 0.000 2.297 437 I HA 0.251 4.421 4.170 -0.001 0.000 0.291 437 I C 0.515 176.101 176.117 -0.884 0.000 1.033 437 I CA -0.168 60.829 61.300 -0.506 0.000 1.253 437 I CB 1.019 38.867 38.000 -0.253 0.000 1.396 437 I HN 0.625 nan 8.210 nan 0.000 0.476 438 S N 4.540 119.617 115.700 -1.037 0.000 2.545 438 S HA 0.434 4.903 4.470 -0.001 0.000 0.275 438 S C 1.393 175.770 174.600 -0.371 0.000 1.299 438 S CA -0.066 57.606 58.200 -0.880 0.000 1.048 438 S CB 1.241 64.033 63.200 -0.680 0.000 0.938 438 S HN 0.720 nan 8.310 nan 0.000 0.496 439 A N 4.490 127.166 122.820 -0.240 0.000 1.948 439 A HA 0.050 4.370 4.320 -0.001 0.000 0.220 439 A C 1.068 178.640 177.584 -0.020 0.000 1.177 439 A CA 1.313 53.283 52.037 -0.112 0.000 0.636 439 A CB -0.426 18.531 19.000 -0.072 0.000 0.815 439 A HN 0.699 nan 8.150 nan 0.000 0.449 440 S N -1.089 114.625 115.700 0.024 0.000 2.513 440 S HA 0.516 4.986 4.470 -0.001 0.000 0.299 440 S C -0.325 174.337 174.600 0.104 0.000 1.087 440 S CA -0.749 57.537 58.200 0.144 0.000 1.012 440 S CB 1.480 64.825 63.200 0.242 0.000 1.044 440 S HN 0.452 nan 8.310 nan 0.000 0.485 441 R N 1.839 122.411 120.500 0.120 0.000 2.421 441 R HA 0.182 4.521 4.340 -0.001 0.000 0.305 441 R C 0.454 176.881 176.300 0.212 0.000 1.039 441 R CA 0.007 56.156 56.100 0.082 0.000 1.003 441 R CB 0.099 30.307 30.300 -0.152 0.000 0.959 441 R HN 0.597 nan 8.270 nan 0.000 0.427 442 L N 2.362 123.722 121.223 0.229 0.000 2.477 442 L HA 0.092 4.432 4.340 -0.001 0.000 0.220 442 L C 0.616 177.591 176.870 0.176 0.000 1.106 442 L CA 0.685 55.647 54.840 0.203 0.000 0.851 442 L CB -0.026 42.113 42.059 0.133 0.000 0.994 442 L HN 0.436 nan 8.230 nan 0.000 0.462 443 K N 0.258 120.765 120.400 0.179 0.000 2.098 443 K HA 0.298 4.618 4.320 -0.001 0.000 0.244 443 K C -2.281 174.356 176.600 0.061 0.000 1.014 443 K CA -1.890 54.403 56.287 0.010 0.000 0.917 443 K CB 0.254 32.576 32.500 -0.297 0.000 1.072 443 K HN -0.267 nan 8.250 nan 0.000 0.477 444 P HA -0.018 nan 4.420 nan 0.000 0.266 444 P C -2.174 175.041 177.300 -0.142 0.000 1.195 444 P CA -0.882 62.203 63.100 -0.026 0.000 0.768 444 P CB 0.188 31.865 31.700 -0.039 0.000 0.838 445 P HA -0.208 nan 4.420 nan 0.000 0.217 445 P C 1.170 178.415 177.300 -0.091 0.000 1.148 445 P CA 1.568 64.516 63.100 -0.253 0.000 0.828 445 P CB -0.518 30.708 31.700 -0.790 0.000 0.783 446 H N -1.681 117.346 119.070 -0.071 0.000 2.551 446 H HA 0.129 4.684 4.556 -0.001 0.000 0.266 446 H C 1.139 176.455 175.328 -0.019 0.000 0.977 446 H CA 0.466 56.499 56.048 -0.024 0.000 1.163 446 H CB -0.605 29.151 29.762 -0.010 0.000 1.381 446 H HN 0.160 nan 8.280 nan 0.000 0.581 447 Q N 0.533 120.029 119.800 -0.507 0.000 2.515 447 Q HA -0.035 4.305 4.340 -0.001 0.000 0.214 447 Q C 0.095 175.787 176.000 -0.513 0.000 0.971 447 Q CA 0.327 55.820 55.803 -0.516 0.000 0.952 447 Q CB -0.039 28.325 28.738 -0.624 0.000 0.999 447 Q HN 0.695 nan 8.270 nan 0.000 0.524 448 Y N -1.470 118.772 120.300 -0.097 0.000 2.531 448 Y HA 0.177 4.727 4.550 -0.000 0.000 0.249 448 Y C 0.656 176.543 175.900 -0.022 0.000 1.168 448 Y CA -0.235 57.837 58.100 -0.047 0.000 1.226 448 Y CB 0.990 39.435 38.460 -0.025 0.000 1.177 448 Y HN -0.029 nan 8.280 nan 0.000 0.527 449 D N 0.412 120.861 120.400 0.082 0.000 2.788 449 D HA 0.255 4.895 4.640 -0.001 0.000 0.289 449 D C 0.646 176.964 176.300 0.029 0.000 1.340 449 D CA 0.227 54.261 54.000 0.056 0.000 0.831 449 D CB 0.435 41.262 40.800 0.045 0.000 1.103 449 D HN 0.347 nan 8.370 nan 0.000 0.476 450 L N 0.657 121.885 121.223 0.009 0.000 2.672 450 L HA 0.110 4.450 4.340 -0.001 0.000 0.236 450 L C 0.309 177.170 176.870 -0.015 0.000 1.186 450 L CA 0.202 55.040 54.840 -0.003 0.000 0.977 450 L CB -0.250 41.797 42.059 -0.020 0.000 1.203 450 L HN -0.238 nan 8.230 nan 0.000 0.448 451 Q N 1.319 121.114 119.800 -0.008 0.000 2.297 451 Q HA 0.215 4.554 4.340 -0.001 0.000 0.267 451 Q C -0.273 175.706 176.000 -0.034 0.000 1.006 451 Q CA 0.166 55.958 55.803 -0.018 0.000 0.896 451 Q CB 1.342 30.076 28.738 -0.007 0.000 1.186 451 Q HN 0.168 nan 8.270 nan 0.000 0.392 452 V N 0.515 120.393 119.914 -0.059 0.000 2.547 452 V HA 0.774 4.893 4.120 -0.001 0.000 0.299 452 V C -0.283 175.731 176.094 -0.133 0.000 1.040 452 V CA -0.741 61.495 62.300 -0.107 0.000 0.913 452 V CB 1.616 33.371 31.823 -0.114 0.000 0.992 452 V HN 0.799 nan 8.190 nan 0.000 0.449 468 E N 0.854 121.040 120.200 -0.023 0.000 2.265 468 E HA -0.186 4.164 4.350 -0.001 0.000 0.196 468 E C 1.182 177.771 176.600 -0.019 0.000 0.996 468 E CA 1.145 57.532 56.400 -0.022 0.000 0.832 468 E CB 0.197 29.888 29.700 -0.016 0.000 0.756 468 E HN 0.493 nan 8.360 nan 0.000 0.491 469 K N 1.290 121.681 120.400 -0.015 0.000 2.167 469 K HA -0.052 4.267 4.320 -0.001 0.000 0.203 469 K C 1.154 177.751 176.600 -0.005 0.000 1.052 469 K CA 0.304 56.590 56.287 -0.003 0.000 0.956 469 K CB -0.636 31.864 32.500 0.001 0.000 0.735 469 K HN 0.110 nan 8.250 nan 0.000 0.451 470 L N 4.296 125.497 121.223 -0.038 0.000 2.490 470 L HA 0.129 4.468 4.340 -0.001 0.000 0.274 470 L C -1.911 174.891 176.870 -0.114 0.000 1.201 470 L CA -1.840 52.949 54.840 -0.086 0.000 0.869 470 L CB 0.111 42.117 42.059 -0.089 0.000 1.123 470 L HN 0.096 nan 8.230 nan 0.000 0.484 471 P HA 0.130 nan 4.420 nan 0.000 0.274 471 P C -1.155 176.050 177.300 -0.158 0.000 1.237 471 P CA -0.594 62.367 63.100 -0.232 0.000 0.793 471 P CB 0.644 32.031 31.700 -0.521 0.000 0.977 472 K N 0.775 121.058 120.400 -0.194 0.000 2.368 472 K HA 0.549 4.868 4.320 -0.001 0.000 0.282 472 K C 0.760 177.120 176.600 -0.401 0.000 1.035 472 K CA 0.064 56.211 56.287 -0.235 0.000 0.973 472 K CB 0.294 32.659 32.500 -0.225 0.000 0.957 472 K HN 0.754 nan 8.250 nan 0.000 0.474 473 G N 1.544 110.044 108.800 -0.500 0.000 2.435 473 G HA2 0.177 4.137 3.960 -0.001 0.000 0.296 473 G HA3 0.177 4.137 3.960 -0.001 0.000 0.296 473 G C -1.854 172.655 174.900 -0.651 0.000 1.240 473 G CA -0.766 43.797 45.100 -0.894 0.000 0.872 473 G HN 0.361 nan 8.290 nan 0.000 0.480 474 Y N -0.471 119.597 120.300 -0.388 0.000 2.299 474 Y HA 0.546 5.096 4.550 -0.001 0.000 0.326 474 Y C 0.449 176.392 175.900 0.071 0.000 1.164 474 Y CA -0.537 57.505 58.100 -0.097 0.000 1.234 474 Y CB 1.888 40.300 38.460 -0.080 0.000 1.219 474 Y HN 0.191 nan 8.280 nan 0.000 0.497 475 V N 3.485 123.536 119.914 0.228 0.000 2.357 475 V HA 0.260 4.380 4.120 -0.001 0.000 0.281 475 V C -0.368 175.795 176.094 0.116 0.000 1.015 475 V CA -0.843 61.549 62.300 0.153 0.000 0.827 475 V CB 1.190 33.078 31.823 0.108 0.000 1.018 475 V HN 0.835 nan 8.190 nan 0.000 0.432 476 T N 4.374 118.968 114.554 0.066 0.000 2.845 476 T HA 0.424 4.774 4.350 -0.001 0.000 0.288 476 T C -0.252 174.440 174.700 -0.014 0.000 0.980 476 T CA -0.224 61.906 62.100 0.051 0.000 1.071 476 T CB 0.320 69.181 68.868 -0.011 0.000 0.941 476 T HN 0.577 nan 8.240 nan 0.000 0.487 477 H N 3.486 122.612 119.070 0.093 0.000 2.685 477 H HA 0.329 4.884 4.556 -0.001 0.000 0.307 477 H C -0.461 174.938 175.328 0.118 0.000 1.017 477 H CA -0.784 55.328 56.048 0.106 0.000 1.237 477 H CB 1.139 30.945 29.762 0.073 0.000 1.409 477 H HN 0.767 nan 8.280 nan 0.000 0.488 478 D N 0.845 121.389 120.400 0.239 0.000 2.723 478 D HA 0.059 4.699 4.640 -0.001 0.000 0.247 478 D C 0.432 176.881 176.300 0.247 0.000 1.134 478 D CA -0.602 53.540 54.000 0.236 0.000 1.099 478 D CB 0.418 41.403 40.800 0.309 0.000 1.287 478 D HN 0.039 nan 8.370 nan 0.000 0.634 479 D N -1.572 118.986 120.400 0.264 0.000 2.312 479 D HA 0.006 4.646 4.640 -0.001 0.000 0.211 479 D C 0.344 176.957 176.300 0.522 0.000 0.964 479 D CA 0.665 54.843 54.000 0.297 0.000 0.877 479 D CB -0.082 40.832 40.800 0.191 0.000 0.924 479 D HN 0.192 nan 8.370 nan 0.000 0.515 480 F N 0.009 120.084 119.950 0.208 0.000 2.639 480 F HA 0.395 4.922 4.527 -0.001 0.000 0.300 480 F C 1.653 177.496 175.800 0.071 0.000 1.109 480 F CA -0.239 57.830 58.000 0.114 0.000 1.335 480 F CB 0.001 39.000 39.000 -0.001 0.000 1.014 480 F HN -0.078 nan 8.300 nan 0.000 0.537 481 G N 0.903 109.855 108.800 0.253 0.000 2.484 481 G HA2 0.034 3.994 3.960 -0.001 0.000 0.225 481 G HA3 0.034 3.994 3.960 -0.001 0.000 0.225 481 G C 0.376 175.339 174.900 0.106 0.000 1.250 481 G CA -0.161 45.032 45.100 0.155 0.000 0.926 481 G HN 0.553 nan 8.290 nan 0.000 0.581 482 A N -0.150 122.680 122.820 0.016 0.000 2.564 482 A HA 0.552 4.872 4.320 -0.001 0.000 0.279 482 A C 0.941 178.476 177.584 -0.081 0.000 1.232 482 A CA 1.326 53.269 52.037 -0.157 0.000 0.950 482 A CB 0.112 18.923 19.000 -0.315 0.000 1.138 482 A HN 1.223 nan 8.150 nan 0.000 0.526 483 D N -1.667 118.739 120.400 0.010 0.000 2.571 483 D HA 0.155 4.794 4.640 -0.001 0.000 0.239 483 D C 1.117 177.450 176.300 0.055 0.000 1.267 483 D CA 0.543 54.560 54.000 0.027 0.000 0.823 483 D CB -0.489 40.324 40.800 0.021 0.000 1.056 483 D HN 0.110 nan 8.370 nan 0.000 0.494 484 G N 0.124 108.980 108.800 0.093 0.000 2.448 484 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.218 484 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.218 484 G C 0.476 175.446 174.900 0.117 0.000 1.135 484 G CA -0.022 45.095 45.100 0.028 0.000 0.784 484 G HN 0.202 nan 8.290 nan 0.000 0.543 485 D N 1.569 122.137 120.400 0.280 0.000 2.425 485 D HA 0.003 4.643 4.640 -0.001 0.000 0.247 485 D C 0.789 177.191 176.300 0.171 0.000 1.147 485 D CA 0.151 54.339 54.000 0.313 0.000 0.879 485 D CB 1.305 42.295 40.800 0.318 0.000 1.179 485 D HN 0.334 nan 8.370 nan 0.000 0.456 486 D N 0.838 121.359 120.400 0.202 0.000 2.348 486 D HA -0.107 4.532 4.640 -0.001 0.000 0.216 486 D C -0.067 176.331 176.300 0.164 0.000 0.970 486 D CA 0.484 54.601 54.000 0.194 0.000 0.889 486 D CB 0.252 41.233 40.800 0.301 0.000 0.912 486 D HN 0.127 nan 8.370 nan 0.000 0.524 487 T N 0.691 115.253 114.554 0.013 0.000 2.893 487 T HA 0.440 4.789 4.350 -0.001 0.000 0.293 487 T C -0.019 174.337 174.700 -0.573 0.000 1.027 487 T CA -0.786 61.164 62.100 -0.250 0.000 0.988 487 T CB 2.180 70.869 68.868 -0.298 0.000 1.043 487 T HN -0.015 nan 8.240 nan 0.000 0.461 488 L N 3.647 124.599 121.223 -0.452 0.000 2.410 488 L HA 0.391 4.731 4.340 -0.001 0.000 0.273 488 L C 0.092 176.677 176.870 -0.474 0.000 1.144 488 L CA -0.122 54.502 54.840 -0.360 0.000 0.863 488 L CB -0.150 41.789 42.059 -0.199 0.000 1.140 488 L HN 0.677 nan 8.230 nan 0.000 0.463 489 H N 1.862 120.865 119.070 -0.111 0.000 2.747 489 H HA 0.435 4.991 4.556 -0.001 0.000 0.371 489 H C -0.617 174.644 175.328 -0.112 0.000 1.161 489 H CA -1.020 54.940 56.048 -0.147 0.000 1.167 489 H CB 1.688 31.374 29.762 -0.128 0.000 1.732 489 H HN 0.436 nan 8.280 nan 0.000 0.544 490 R N 1.421 121.930 120.500 0.015 0.000 2.296 490 R HA 0.342 4.681 4.340 -0.001 0.000 0.323 490 R C -0.423 175.844 176.300 -0.055 0.000 1.067 490 R CA -0.478 55.602 56.100 -0.034 0.000 0.946 490 R CB 0.589 30.846 30.300 -0.072 0.000 0.991 490 R HN 0.598 nan 8.270 nan 0.000 0.448 491 A N 3.725 126.528 122.820 -0.030 0.000 2.492 491 A HA 0.110 4.429 4.320 -0.001 0.000 0.254 491 A C 0.364 177.884 177.584 -0.107 0.000 1.091 491 A CA -0.338 51.680 52.037 -0.031 0.000 0.768 491 A CB 0.477 19.497 19.000 0.033 0.000 1.028 491 A HN 0.519 nan 8.150 nan 0.000 0.498 492 V N 3.756 123.580 119.914 -0.151 0.000 2.686 492 V HA 0.252 4.372 4.120 -0.001 0.000 0.295 492 V C 0.221 176.244 176.094 -0.119 0.000 1.055 492 V CA 0.095 62.261 62.300 -0.225 0.000 1.050 492 V CB 1.385 33.047 31.823 -0.269 0.000 0.984 492 V HN 0.625 nan 8.190 nan 0.000 0.482 493 V N 5.084 124.895 119.914 -0.172 0.000 2.604 493 V HA 0.463 4.583 4.120 -0.001 0.000 0.305 493 V C -0.360 175.757 176.094 0.038 0.000 1.043 493 V CA -0.953 61.296 62.300 -0.085 0.000 0.888 493 V CB 2.041 33.772 31.823 -0.153 0.000 0.995 493 V HN 0.994 nan 8.190 nan 0.000 0.429 494 N N 3.225 121.974 118.700 0.082 0.000 2.362 494 N HA 0.649 5.389 4.740 -0.001 0.000 0.298 494 N C -1.051 174.496 175.510 0.062 0.000 1.048 494 N CA -0.558 52.607 53.050 0.192 0.000 0.858 494 N CB 1.542 40.172 38.487 0.239 0.000 1.218 494 N HN 0.482 nan 8.380 nan 0.000 0.488 495 F N 1.457 121.455 119.950 0.080 0.000 2.418 495 F HA 0.308 4.835 4.527 -0.000 0.000 0.341 495 F C -1.643 174.171 175.800 0.024 0.000 1.120 495 F CA -1.754 56.271 58.000 0.043 0.000 1.232 495 F CB 0.581 39.607 39.000 0.044 0.000 1.175 495 F HN 0.290 nan 8.300 nan 0.000 0.569 496 P HA 0.088 nan 4.420 nan 0.000 0.268 496 P C -0.984 176.354 177.300 0.063 0.000 1.204 496 P CA -0.120 63.017 63.100 0.061 0.000 0.768 496 P CB 0.616 32.330 31.700 0.023 0.000 0.842 497 V N 1.414 121.309 119.914 -0.032 0.000 2.769 497 V HA 0.761 4.881 4.120 -0.001 0.000 0.312 497 V C -2.357 173.648 176.094 -0.149 0.000 1.058 497 V CA -2.771 59.475 62.300 -0.088 0.000 0.952 497 V CB 1.463 33.208 31.823 -0.131 0.000 1.019 497 V HN 0.364 nan 8.190 nan 0.000 0.445 498 P HA 0.320 nan 4.420 nan 0.000 0.276 498 P C 0.274 177.480 177.300 -0.156 0.000 1.261 498 P CA -0.322 62.699 63.100 -0.131 0.000 0.800 498 P CB 0.681 32.321 31.700 -0.101 0.000 1.066 499 N N -0.920 117.731 118.700 -0.082 0.000 2.069 499 N HA -0.070 4.670 4.740 -0.001 0.000 0.191 499 N C 0.757 176.232 175.510 -0.059 0.000 1.031 499 N CA 1.430 54.457 53.050 -0.039 0.000 0.852 499 N CB -0.487 38.030 38.487 0.050 0.000 1.018 499 N HN 0.419 nan 8.380 nan 0.000 0.423 500 V N -1.907 117.964 119.914 -0.071 0.000 3.078 500 V HA 0.714 4.833 4.120 -0.001 0.000 0.311 500 V C -0.449 175.578 176.094 -0.111 0.000 1.138 500 V CA -1.301 60.951 62.300 -0.080 0.000 1.007 500 V CB 2.300 34.098 31.823 -0.043 0.000 1.045 500 V HN 0.097 nan 8.190 nan 0.000 0.432 501 I N 0.397 120.910 120.570 -0.095 0.000 3.002 501 I HA 0.879 5.048 4.170 -0.001 0.000 0.310 501 I C -0.621 175.480 176.117 -0.027 0.000 1.087 501 I CA -0.831 60.431 61.300 -0.063 0.000 1.017 501 I CB 2.258 40.236 38.000 -0.037 0.000 1.226 501 I HN 1.019 nan 8.210 nan 0.000 0.443 502 Q N 1.972 121.759 119.800 -0.021 0.000 2.397 502 Q HA 0.610 4.950 4.340 -0.001 0.000 0.275 502 Q C -1.424 174.562 176.000 -0.023 0.000 1.090 502 Q CA -0.814 54.974 55.803 -0.025 0.000 0.809 502 Q CB 2.062 30.779 28.738 -0.036 0.000 1.362 502 Q HN 0.723 nan 8.270 nan 0.000 0.431 503 S N 1.785 117.463 115.700 -0.037 0.000 2.498 503 S HA 0.438 4.908 4.470 -0.001 0.000 0.324 503 S C -0.847 173.719 174.600 -0.056 0.000 1.071 503 S CA -0.494 57.677 58.200 -0.047 0.000 1.113 503 S CB 0.881 64.042 63.200 -0.065 0.000 0.976 503 S HN 0.476 nan 8.310 nan 0.000 0.462 504 V N 5.814 125.701 119.914 -0.046 0.000 2.383 504 V HA 0.434 4.554 4.120 -0.001 0.000 0.275 504 V C 0.041 176.110 176.094 -0.043 0.000 1.036 504 V CA -0.334 61.938 62.300 -0.045 0.000 0.889 504 V CB 1.267 33.067 31.823 -0.038 0.000 0.985 504 V HN 0.882 nan 8.190 nan 0.000 0.459 505 E N 5.954 126.127 120.200 -0.045 0.000 2.795 505 E HA 0.428 4.778 4.350 -0.001 0.000 0.226 505 E C -0.671 175.913 176.600 -0.027 0.000 1.088 505 E CA -0.188 56.190 56.400 -0.036 0.000 0.812 505 E CB 1.382 31.056 29.700 -0.042 0.000 1.328 505 E HN 0.759 nan 8.360 nan 0.000 0.410 506 I N -1.714 118.843 120.570 -0.022 0.000 2.797 506 I HA 0.474 4.644 4.170 -0.001 0.000 0.307 506 I C 0.521 176.633 176.117 -0.008 0.000 1.033 506 I CA -0.972 60.318 61.300 -0.016 0.000 1.071 506 I CB 1.749 39.736 38.000 -0.022 0.000 1.255 506 I HN -0.041 nan 8.210 nan 0.000 0.445 507 N N 1.601 120.300 118.700 -0.001 0.000 2.395 507 N HA 0.039 4.778 4.740 -0.001 0.000 0.175 507 N C -0.449 175.060 175.510 -0.001 0.000 1.029 507 N CA 0.740 53.792 53.050 0.004 0.000 0.897 507 N CB -0.210 38.286 38.487 0.016 0.000 0.991 507 N HN 0.872 nan 8.380 nan 0.000 0.441 508 D N -1.720 118.676 120.400 -0.006 0.000 2.992 508 D HA -0.022 4.617 4.640 -0.001 0.000 0.349 508 D C 0.007 176.299 176.300 -0.013 0.000 1.393 508 D CA -0.470 53.525 54.000 -0.009 0.000 0.887 508 D CB 0.224 41.020 40.800 -0.007 0.000 1.447 508 D HN -0.088 nan 8.370 nan 0.000 0.524 509 E N 0.138 120.330 120.200 -0.014 0.000 2.463 509 E HA 0.179 4.529 4.350 -0.001 0.000 0.193 509 E C -0.193 176.396 176.600 -0.018 0.000 1.041 509 E CA -0.197 56.193 56.400 -0.017 0.000 0.879 509 E CB 0.120 29.811 29.700 -0.016 0.000 0.997 509 E HN 0.226 nan 8.360 nan 0.000 0.478 510 V N 2.294 122.198 119.914 -0.016 0.000 2.546 510 V HA 0.062 4.182 4.120 -0.001 0.000 0.284 510 V C 0.228 176.312 176.094 -0.018 0.000 1.050 510 V CA -0.634 61.657 62.300 -0.016 0.000 0.981 510 V CB 1.225 33.040 31.823 -0.013 0.000 0.990 510 V HN 0.083 nan 8.190 nan 0.000 0.474 511 D N 3.343 123.733 120.400 -0.018 0.000 2.450 511 D HA 0.348 4.988 4.640 -0.001 0.000 0.247 511 D C 0.082 176.373 176.300 -0.015 0.000 1.162 511 D CA 0.688 54.676 54.000 -0.020 0.000 0.879 511 D CB 0.663 41.453 40.800 -0.017 0.000 1.163 511 D HN 0.853 nan 8.370 nan 0.000 0.472 512 S N 2.128 117.817 115.700 -0.018 0.000 2.611 512 S HA 0.654 5.124 4.470 -0.001 0.000 0.268 512 S C -3.085 171.507 174.600 -0.013 0.000 1.156 512 S CA -1.409 56.784 58.200 -0.012 0.000 0.817 512 S CB 1.612 64.806 63.200 -0.011 0.000 1.122 512 S HN 0.106 nan 8.310 nan 0.000 0.466 513 P HA 0.482 nan 4.420 nan 0.000 0.276 513 P C -1.205 176.091 177.300 -0.007 0.000 1.235 513 P CA -0.366 62.734 63.100 -0.000 0.000 0.772 513 P CB 0.742 32.452 31.700 0.016 0.000 0.871 514 V N 4.202 124.103 119.914 -0.022 0.000 2.588 514 V HA 0.275 4.395 4.120 -0.001 0.000 0.304 514 V C -0.090 175.988 176.094 -0.028 0.000 1.042 514 V CA -0.794 61.489 62.300 -0.029 0.000 0.877 514 V CB 1.896 33.688 31.823 -0.051 0.000 0.996 514 V HN 0.422 nan 8.190 nan 0.000 0.425 515 N N 3.678 122.363 118.700 -0.025 0.000 2.420 515 N HA 0.259 4.999 4.740 -0.001 0.000 0.262 515 N C -0.634 174.822 175.510 -0.089 0.000 1.144 515 N CA -0.299 52.723 53.050 -0.047 0.000 0.952 515 N CB 1.322 39.779 38.487 -0.049 0.000 1.081 515 N HN 0.481 nan 8.380 nan 0.000 0.480 516 L N 4.303 125.507 121.223 -0.032 0.000 2.261 516 L HA 0.326 4.666 4.340 -0.001 0.000 0.289 516 L C -0.758 176.155 176.870 0.071 0.000 1.059 516 L CA -0.432 54.432 54.840 0.041 0.000 0.816 516 L CB 0.845 42.964 42.059 0.100 0.000 1.191 516 L HN 0.175 nan 8.230 nan 0.000 0.431 517 V N 6.845 126.732 119.914 -0.046 0.000 2.459 517 V HA 0.661 4.780 4.120 -0.001 0.000 0.295 517 V C -0.375 175.772 176.094 0.087 0.000 1.029 517 V CA -0.447 61.689 62.300 -0.273 0.000 0.874 517 V CB 1.187 32.640 31.823 -0.616 0.000 0.985 517 V HN 0.671 nan 8.190 nan 0.000 0.438 518 F N 2.405 122.438 119.950 0.137 0.000 2.773 518 F HA 0.673 5.199 4.527 -0.001 0.000 0.314 518 F C -1.309 174.590 175.800 0.165 0.000 1.160 518 F CA -1.726 56.350 58.000 0.125 0.000 0.920 518 F CB 0.762 39.744 39.000 -0.031 0.000 1.323 518 F HN 0.282 nan 8.300 nan 0.000 0.457 519 Y N 1.244 121.617 120.300 0.121 0.000 2.712 519 Y HA 0.143 4.693 4.550 -0.000 0.000 0.333 519 Y C 1.959 177.899 175.900 0.067 0.000 1.225 519 Y CA 0.446 58.485 58.100 -0.102 0.000 1.499 519 Y CB 0.415 38.805 38.460 -0.117 0.000 1.288 519 Y HN 0.883 nan 8.280 nan 0.000 0.575 520 S N 3.201 119.029 115.700 0.212 0.000 2.374 520 S HA -0.268 4.202 4.470 -0.001 0.000 0.227 520 S C 1.924 176.674 174.600 0.250 0.000 1.037 520 S CA 1.933 60.252 58.200 0.198 0.000 1.024 520 S CB -0.612 62.675 63.200 0.145 0.000 0.861 520 S HN 0.666 nan 8.310 nan 0.000 0.456 521 F N 2.301 122.325 119.950 0.124 0.000 2.407 521 F HA 0.195 4.722 4.527 -0.000 0.000 0.299 521 F C 1.492 177.372 175.800 0.133 0.000 1.097 521 F CA 0.686 58.736 58.000 0.084 0.000 1.422 521 F CB -0.557 38.429 39.000 -0.024 0.000 1.067 521 F HN 0.331 nan 8.300 nan 0.000 0.539 522 I N -1.771 118.495 120.570 -0.505 0.000 3.812 522 I HA 0.115 4.285 4.170 -0.001 0.000 0.320 522 I C 1.465 177.488 176.117 -0.158 0.000 1.276 522 I CA 0.247 61.286 61.300 -0.434 0.000 1.164 522 I CB -1.001 36.695 38.000 -0.506 0.000 1.009 522 I HN -0.011 nan 8.210 nan 0.000 0.431 523 T N 2.885 117.479 114.554 0.067 0.000 2.620 523 T HA -0.133 4.216 4.350 -0.001 0.000 0.267 523 T C -0.331 174.375 174.700 0.009 0.000 1.044 523 T CA 2.516 64.689 62.100 0.122 0.000 1.161 523 T CB -1.334 67.689 68.868 0.257 0.000 0.862 523 T HN 0.402 nan 8.240 nan 0.000 0.438 524 P HA -0.028 nan 4.420 nan 0.000 0.217 524 P C 1.348 178.691 177.300 0.072 0.000 1.150 524 P CA 0.905 64.040 63.100 0.059 0.000 0.832 524 P CB -0.140 31.598 31.700 0.064 0.000 0.787 525 N N -0.511 118.203 118.700 0.023 0.000 2.142 525 N HA -0.092 4.648 4.740 -0.001 0.000 0.186 525 N C 1.659 177.178 175.510 0.016 0.000 1.023 525 N CA 1.105 54.192 53.050 0.062 0.000 0.852 525 N CB -0.481 38.016 38.487 0.016 0.000 0.998 525 N HN 0.101 nan 8.380 nan 0.000 0.424 526 I N 1.804 122.260 120.570 -0.190 0.000 2.179 526 I HA -0.179 3.991 4.170 -0.001 0.000 0.242 526 I C 2.263 178.293 176.117 -0.145 0.000 1.088 526 I CA 0.823 61.931 61.300 -0.321 0.000 1.357 526 I CB -0.905 36.599 38.000 -0.827 0.000 1.051 526 I HN 0.021 nan 8.210 nan 0.000 0.409 527 I N -0.205 120.331 120.570 -0.056 0.000 2.226 527 I HA -0.290 3.880 4.170 -0.001 0.000 0.245 527 I C 2.549 178.687 176.117 0.036 0.000 1.100 527 I CA 1.254 62.564 61.300 0.017 0.000 1.374 527 I CB -1.478 36.556 38.000 0.056 0.000 1.057 527 I HN 0.409 nan 8.210 nan 0.000 0.413 528 W N 2.121 123.369 121.300 -0.087 0.000 2.335 528 W HA -0.236 4.424 4.660 -0.001 0.000 0.311 528 W C 2.657 179.088 176.519 -0.147 0.000 1.213 528 W CA 2.729 60.016 57.345 -0.097 0.000 1.274 528 W CB -0.288 29.117 29.460 -0.090 0.000 1.148 528 W HN 0.128 nan 8.180 nan 0.000 0.498 529 A N 0.408 123.107 122.820 -0.201 0.000 1.902 529 A HA -0.195 4.125 4.320 -0.001 0.000 0.217 529 A C 2.115 179.456 177.584 -0.406 0.000 1.181 529 A CA 1.929 53.684 52.037 -0.469 0.000 0.623 529 A CB -1.136 17.748 19.000 -0.193 0.000 0.818 529 A HN 0.433 nan 8.150 nan 0.000 0.443 530 L N -1.248 119.841 121.223 -0.223 0.000 2.083 530 L HA -0.184 4.155 4.340 -0.001 0.000 0.209 530 L C 2.556 179.374 176.870 -0.087 0.000 1.083 530 L CA 1.421 56.206 54.840 -0.092 0.000 0.752 530 L CB -0.357 41.738 42.059 0.061 0.000 0.899 530 L HN 0.177 nan 8.230 nan 0.000 0.433 531 K N 0.034 120.325 120.400 -0.182 0.000 2.057 531 K HA -0.120 4.200 4.320 -0.001 0.000 0.206 531 K C 2.018 178.441 176.600 -0.294 0.000 1.050 531 K CA 1.048 57.215 56.287 -0.200 0.000 0.935 531 K CB -0.237 32.151 32.500 -0.187 0.000 0.715 531 K HN 0.163 nan 8.250 nan 0.000 0.439 532 E N 0.052 119.934 120.200 -0.530 0.000 2.268 532 E HA -0.094 4.256 4.350 -0.001 0.000 0.195 532 E C 1.187 177.597 176.600 -0.316 0.000 0.995 532 E CA 0.699 56.779 56.400 -0.533 0.000 0.836 532 E CB 0.095 29.227 29.700 -0.947 0.000 0.763 532 E HN 0.288 nan 8.360 nan 0.000 0.491 533 L N 1.011 122.084 121.223 -0.249 0.000 2.653 533 L HA 0.106 4.446 4.340 -0.001 0.000 0.231 533 L C -0.084 176.751 176.870 -0.059 0.000 1.153 533 L CA -0.182 54.572 54.840 -0.143 0.000 0.933 533 L CB -0.200 41.776 42.059 -0.138 0.000 1.175 533 L HN -0.024 nan 8.230 nan 0.000 0.473 534 N N 0.293 118.948 118.700 -0.074 0.000 2.721 534 N HA -0.278 4.461 4.740 -0.001 0.000 0.249 534 N C -0.318 175.207 175.510 0.024 0.000 1.072 534 N CA 0.850 53.876 53.050 -0.041 0.000 0.710 534 N CB -1.379 37.082 38.487 -0.043 0.000 0.993 534 N HN 0.258 nan 8.380 nan 0.000 0.547 535 F N 1.563 121.448 119.950 -0.108 0.000 2.361 535 F HA 0.332 4.859 4.527 -0.000 0.000 0.364 535 F C 0.112 175.869 175.800 -0.071 0.000 1.120 535 F CA -0.623 57.327 58.000 -0.082 0.000 1.102 535 F CB 0.825 39.775 39.000 -0.083 0.000 1.183 535 F HN -0.092 nan 8.300 nan 0.000 0.476 536 S N 4.496 119.846 115.700 -0.583 0.000 2.442 536 S HA 0.633 5.102 4.470 -0.001 0.000 0.297 536 S C -0.228 173.958 174.600 -0.690 0.000 1.131 536 S CA -0.620 57.300 58.200 -0.468 0.000 1.092 536 S CB 1.574 64.609 63.200 -0.275 0.000 0.998 536 S HN 0.749 nan 8.310 nan 0.000 0.478 537 T N 1.208 115.512 114.554 -0.417 0.000 2.889 537 T HA 0.355 4.705 4.350 -0.001 0.000 0.315 537 T C -0.912 173.731 174.700 -0.095 0.000 1.291 537 T CA -0.483 61.459 62.100 -0.264 0.000 1.028 537 T CB 1.833 70.585 68.868 -0.192 0.000 1.235 537 T HN 0.640 nan 8.240 nan 0.000 0.491 538 E N 1.373 121.541 120.200 -0.053 0.000 2.585 538 E HA 0.221 4.571 4.350 -0.001 0.000 0.206 538 E C 0.112 176.724 176.600 0.020 0.000 1.007 538 E CA -0.142 56.252 56.400 -0.011 0.000 1.028 538 E CB 0.450 30.141 29.700 -0.016 0.000 1.087 538 E HN 0.470 nan 8.360 nan 0.000 0.455 539 Q N 1.129 120.952 119.800 0.039 0.000 2.311 539 Q HA 0.128 4.468 4.340 -0.001 0.000 0.272 539 Q C -0.304 175.750 176.000 0.091 0.000 1.012 539 Q CA -0.282 55.565 55.803 0.073 0.000 0.891 539 Q CB 0.836 29.639 28.738 0.108 0.000 1.201 539 Q HN 0.151 nan 8.270 nan 0.000 0.391 540 V N 2.079 122.045 119.914 0.086 0.000 2.713 540 V HA 0.628 4.748 4.120 -0.001 0.000 0.307 540 V C -2.447 173.718 176.094 0.117 0.000 1.052 540 V CA -2.500 59.859 62.300 0.099 0.000 0.967 540 V CB 0.934 32.803 31.823 0.077 0.000 1.019 540 V HN 0.735 nan 8.190 nan 0.000 0.459 541 P HA 0.305 nan 4.420 nan 0.000 0.268 541 P C -0.144 177.205 177.300 0.081 0.000 1.205 541 P CA 0.282 63.461 63.100 0.131 0.000 0.771 541 P CB 0.417 32.226 31.700 0.182 0.000 0.858 542 T N -0.027 114.564 114.554 0.061 0.000 2.932 542 T HA 0.598 4.948 4.350 -0.001 0.000 0.289 542 T C -2.841 171.901 174.700 0.070 0.000 1.039 542 T CA -2.987 59.152 62.100 0.065 0.000 1.024 542 T CB 1.061 69.970 68.868 0.069 0.000 1.090 542 T HN 0.020 nan 8.240 nan 0.000 0.496 543 P HA 0.106 nan 4.420 nan 0.000 0.265 543 P C -0.816 176.570 177.300 0.143 0.000 1.187 543 P CA 0.022 63.183 63.100 0.102 0.000 0.766 543 P CB 0.221 31.966 31.700 0.075 0.000 0.820 544 Y N 1.605 121.933 120.300 0.047 0.000 2.736 544 Y HA 0.341 4.891 4.550 -0.001 0.000 0.272 544 Y C 0.363 176.298 175.900 0.058 0.000 1.118 544 Y CA 0.501 58.621 58.100 0.034 0.000 1.248 544 Y CB 0.789 39.258 38.460 0.016 0.000 1.437 544 Y HN 0.371 nan 8.280 nan 0.000 0.481 545 S N -0.253 115.594 115.700 0.246 0.000 2.543 545 S HA 0.274 4.743 4.470 -0.001 0.000 0.273 545 S C -1.221 173.563 174.600 0.306 0.000 1.152 545 S CA -0.648 57.660 58.200 0.180 0.000 0.910 545 S CB 0.938 64.242 63.200 0.174 0.000 1.105 545 S HN 0.266 nan 8.310 nan 0.000 0.465 546 D N 2.573 123.064 120.400 0.151 0.000 2.339 546 D HA 0.241 4.881 4.640 -0.001 0.000 0.217 546 D C 0.268 176.567 176.300 -0.000 0.000 1.050 546 D CA 0.286 54.337 54.000 0.085 0.000 0.856 546 D CB 0.045 40.835 40.800 -0.016 0.000 0.922 546 D HN 0.559 nan 8.370 nan 0.000 0.518 547 I N 2.158 122.816 120.570 0.147 0.000 2.436 547 I HA -0.031 4.139 4.170 -0.001 0.000 0.289 547 I C 0.082 176.429 176.117 0.384 0.000 1.083 547 I CA -0.532 60.840 61.300 0.121 0.000 1.372 547 I CB 0.067 38.142 38.000 0.125 0.000 1.408 547 I HN -0.188 nan 8.210 nan 0.000 0.516 548 Y N 5.339 125.787 120.300 0.246 0.000 2.480 548 Y HA -0.038 4.512 4.550 -0.001 0.000 0.338 548 Y C 0.898 176.976 175.900 0.297 0.000 1.220 548 Y CA -0.544 57.683 58.100 0.210 0.000 1.430 548 Y CB 0.229 38.739 38.460 0.083 0.000 1.311 548 Y HN 0.477 nan 8.280 nan 0.000 0.575 549 L N 2.578 124.107 121.223 0.510 0.000 2.043 549 L HA -0.124 4.215 4.340 -0.001 0.000 0.212 549 L C 2.171 179.198 176.870 0.260 0.000 1.075 549 L CA 2.362 57.475 54.840 0.455 0.000 0.752 549 L CB -1.148 41.186 42.059 0.458 0.000 0.891 549 L HN 0.902 nan 8.230 nan 0.000 0.432 550 G N -2.215 106.693 108.800 0.180 0.000 2.442 550 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.219 550 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.219 550 G C 1.441 176.394 174.900 0.090 0.000 1.141 550 G CA 1.235 46.375 45.100 0.066 0.000 0.763 550 G HN 0.453 nan 8.290 nan 0.000 0.554 551 T N 1.380 116.023 114.554 0.148 0.000 2.777 551 T HA -0.004 4.346 4.350 -0.001 0.000 0.266 551 T C 2.432 177.198 174.700 0.111 0.000 1.040 551 T CA 0.843 63.012 62.100 0.114 0.000 1.141 551 T CB -0.195 68.735 68.868 0.103 0.000 0.868 551 T HN 0.177 nan 8.240 nan 0.000 0.444 552 L N 0.506 121.815 121.223 0.143 0.000 2.083 552 L HA -0.065 4.275 4.340 -0.001 0.000 0.209 552 L C 2.445 179.375 176.870 0.101 0.000 1.083 552 L CA 0.706 55.615 54.840 0.115 0.000 0.752 552 L CB -0.626 41.509 42.059 0.126 0.000 0.899 552 L HN 0.216 nan 8.230 nan 0.000 0.433 553 L N 0.078 121.356 121.223 0.091 0.000 2.027 553 L HA -0.191 4.148 4.340 -0.001 0.000 0.206 553 L C 2.045 178.937 176.870 0.035 0.000 1.074 553 L CA 1.859 56.730 54.840 0.051 0.000 0.745 553 L CB -0.813 41.280 42.059 0.056 0.000 0.898 553 L HN 0.232 nan 8.230 nan 0.000 0.433 554 N N -0.626 118.129 118.700 0.092 0.000 2.061 554 N HA -0.239 4.500 4.740 -0.001 0.000 0.193 554 N C 1.564 177.101 175.510 0.044 0.000 1.030 554 N CA 1.768 54.884 53.050 0.110 0.000 0.856 554 N CB -0.125 38.439 38.487 0.128 0.000 1.023 554 N HN 0.545 nan 8.380 nan 0.000 0.424 555 E N 0.003 120.238 120.200 0.058 0.000 2.150 555 E HA -0.168 4.181 4.350 -0.001 0.000 0.193 555 E C 1.620 178.237 176.600 0.028 0.000 0.985 555 E CA 0.577 57.000 56.400 0.038 0.000 0.814 555 E CB -0.121 29.606 29.700 0.046 0.000 0.752 555 E HN 0.376 nan 8.360 nan 0.000 0.466 556 F N 1.416 121.317 119.950 -0.081 0.000 2.113 556 F HA -0.197 4.329 4.527 -0.001 0.000 0.297 556 F C 2.108 177.830 175.800 -0.130 0.000 1.103 556 F CA 1.059 58.998 58.000 -0.102 0.000 1.248 556 F CB -0.269 38.656 39.000 -0.125 0.000 0.999 556 F HN -0.231 nan 8.300 nan 0.000 0.475 557 V N 0.819 120.634 119.914 -0.165 0.000 2.287 557 V HA -0.324 3.795 4.120 -0.001 0.000 0.248 557 V C 2.735 178.699 176.094 -0.217 0.000 1.053 557 V CA 1.981 64.099 62.300 -0.305 0.000 1.027 557 V CB -1.644 29.825 31.823 -0.590 0.000 0.646 557 V HN 0.493 nan 8.190 nan 0.000 0.447 558 A N -1.117 121.628 122.820 -0.124 0.000 2.121 558 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 558 A C 1.374 178.907 177.584 -0.086 0.000 1.154 558 A CA 1.155 53.159 52.037 -0.056 0.000 0.679 558 A CB -0.458 18.539 19.000 -0.006 0.000 0.795 558 A HN 0.695 nan 8.150 nan 0.000 0.458 559 N N -1.132 117.472 118.700 -0.160 0.000 2.909 559 N HA -0.211 4.529 4.740 -0.001 0.000 0.242 559 N C -0.230 175.224 175.510 -0.093 0.000 0.975 559 N CA 1.466 54.413 53.050 -0.171 0.000 0.921 559 N CB -1.709 36.684 38.487 -0.157 0.000 1.112 559 N HN 0.997 nan 8.380 nan 0.000 0.581 560 N N -0.163 118.502 118.700 -0.059 0.000 2.853 560 N HA 0.640 5.380 4.740 -0.001 0.000 0.258 560 N C -1.141 174.360 175.510 -0.016 0.000 1.444 560 N CA -0.678 52.353 53.050 -0.032 0.000 0.837 560 N CB 1.516 39.991 38.487 -0.021 0.000 1.489 560 N HN 0.059 nan 8.380 nan 0.000 0.529 561 E N 0.000 120.195 120.200 -0.009 0.000 2.725 561 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 561 E CA 0.000 56.400 56.400 -0.001 0.000 0.976 561 E CB 0.000 29.702 29.700 0.003 0.000 0.812 561 E HN 0.000 nan 8.360 nan 0.000 0.440