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 2vcg_1_A DATA FIRST_RESID 7 DATA SEQUENCE HAIGYVWNTL YGWVDTGTGS LAAANLTARM QPISHHLAHP DTKRRFHELV DATA SEQUENCE CASGQIEHLT PIAAVAATDA DILRAHSAAH LENMKRVSNL PTGGDTGDGI DATA SEQUENCE TMMGNGGLEI ARLSAGGAVE LTRRVATGEL SAGYALVNPP GHHAPHNAAM DATA SEQUENCE GFCIFNNTSV AAGYARAVLG MERVAILDWD VHHGNGTQDI WWNDPSVLTI DATA SEQUENCE SLHQHLCFPP DSGYSTERGA GNGHGYNINV PLPPGSGNAA YLHAMDQVVL DATA SEQUENCE PALRAYRPQL IIVGSGFDAS MLDPLARMMV TADGFRQMAR RTIDCAADIC DATA SEQUENCE DGRIVFVQEG GYSPHYLPFC GLAVIEELTG VRSLPDPYHE FLAGMGGNTL DATA SEQUENCE LDAERAAIEE IVPLLADI 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 7 H HA 0.000 nan 4.556 nan 0.000 0.296 7 H C 0.000 175.369 175.328 0.069 0.000 0.993 7 H CA 0.000 56.083 56.048 0.058 0.000 1.023 7 H CB 0.000 29.799 29.762 0.062 0.000 1.292 8 A N 3.597 126.553 122.820 0.227 0.000 2.354 8 A HA 0.447 4.768 4.320 0.002 0.000 0.281 8 A C -0.399 177.274 177.584 0.148 0.000 1.174 8 A CA -0.269 51.860 52.037 0.153 0.000 0.828 8 A CB -0.051 19.022 19.000 0.123 0.000 1.099 8 A HN 0.409 nan 8.150 nan 0.000 0.516 9 I N 3.517 124.176 120.570 0.148 0.000 2.354 9 I HA 0.288 4.459 4.170 0.002 0.000 0.286 9 I C 1.010 177.235 176.117 0.180 0.000 1.007 9 I CA -0.179 61.218 61.300 0.162 0.000 1.167 9 I CB 0.588 38.685 38.000 0.162 0.000 1.320 9 I HN 0.693 nan 8.210 nan 0.000 0.458 10 G N 5.711 114.621 108.800 0.184 0.000 2.483 10 G HA2 0.256 4.217 3.960 0.002 0.000 0.248 10 G HA3 0.256 4.217 3.960 0.002 0.000 0.248 10 G C -1.475 173.602 174.900 0.294 0.000 1.248 10 G CA 0.024 45.240 45.100 0.194 0.000 0.838 10 G HN 0.558 nan 8.290 nan 0.000 0.566 11 Y N 1.414 121.791 120.300 0.129 0.000 2.362 11 Y HA 0.464 5.015 4.550 0.002 0.000 0.326 11 Y C -1.040 174.956 175.900 0.160 0.000 1.083 11 Y CA -0.943 57.252 58.100 0.158 0.000 1.073 11 Y CB 1.813 40.348 38.460 0.125 0.000 1.211 11 Y HN 0.460 nan 8.280 nan 0.000 0.433 12 V N 6.632 126.334 119.914 -0.353 0.000 2.384 12 V HA 0.350 4.471 4.120 0.002 0.000 0.287 12 V C -0.994 174.925 176.094 -0.291 0.000 1.020 12 V CA -0.718 61.444 62.300 -0.230 0.000 0.850 12 V CB 1.473 33.277 31.823 -0.033 0.000 0.987 12 V HN 0.821 nan 8.190 nan 0.000 0.436 13 W N 6.321 127.366 121.300 -0.425 0.000 3.042 13 W HA 0.456 5.117 4.660 0.001 0.000 0.337 13 W C -1.651 174.575 176.519 -0.487 0.000 1.086 13 W CA -0.595 56.534 57.345 -0.360 0.000 1.236 13 W CB 2.058 31.212 29.460 -0.510 0.000 1.381 13 W HN 0.607 nan 8.180 nan 0.000 0.472 14 N N 2.962 120.650 118.700 -1.686 0.000 2.321 14 N HA 0.170 4.911 4.740 0.002 0.000 0.299 14 N C 0.724 175.182 175.510 -1.752 0.000 1.048 14 N CA -0.015 52.099 53.050 -1.560 0.000 0.836 14 N CB 2.175 39.636 38.487 -1.708 0.000 1.269 14 N HN 0.417 nan 8.380 nan 0.000 0.486 15 T N 3.244 117.189 114.554 -1.013 0.000 2.685 15 T HA -0.137 4.214 4.350 0.002 0.000 0.268 15 T C 1.834 176.017 174.700 -0.862 0.000 1.034 15 T CA 1.301 62.990 62.100 -0.685 0.000 1.149 15 T CB -0.084 68.486 68.868 -0.498 0.000 0.860 15 T HN 0.518 nan 8.240 nan 0.000 0.449 16 L N -0.413 120.233 121.223 -0.962 0.000 2.265 16 L HA -0.070 4.271 4.340 0.002 0.000 0.215 16 L C 2.217 178.877 176.870 -0.350 0.000 1.117 16 L CA 1.213 55.604 54.840 -0.747 0.000 0.782 16 L CB -0.724 40.992 42.059 -0.570 0.000 0.914 16 L HN 0.443 nan 8.230 nan 0.000 0.441 17 Y N 0.021 119.938 120.300 -0.639 0.000 2.256 17 Y HA -0.214 4.337 4.550 0.001 0.000 0.288 17 Y C 2.460 178.214 175.900 -0.242 0.000 1.155 17 Y CA 0.353 58.119 58.100 -0.556 0.000 1.203 17 Y CB -0.332 37.510 38.460 -1.031 0.000 0.980 17 Y HN 0.262 nan 8.280 nan 0.000 0.530 18 G N -1.861 106.968 108.800 0.048 0.000 2.985 18 G HA2 -0.125 3.836 3.960 0.002 0.000 0.209 18 G HA3 -0.125 3.836 3.960 0.002 0.000 0.209 18 G C 0.461 175.631 174.900 0.451 0.000 1.165 18 G CA -0.103 45.247 45.100 0.418 0.000 0.776 18 G HN 0.355 nan 8.290 nan 0.000 0.541 19 W N 0.520 121.802 121.300 -0.031 0.000 3.220 19 W HA 0.399 5.060 4.660 0.003 0.000 0.328 19 W C 0.376 176.838 176.519 -0.095 0.000 1.205 19 W CA -1.461 55.848 57.345 -0.059 0.000 1.773 19 W CB -0.443 28.980 29.460 -0.062 0.000 1.086 19 W HN -0.210 nan 8.180 nan 0.000 0.622 20 V N 2.687 122.664 119.914 0.104 0.000 2.509 20 V HA -0.108 4.013 4.120 0.002 0.000 0.297 20 V C 0.446 176.477 176.094 -0.105 0.000 1.014 20 V CA 0.239 62.535 62.300 -0.007 0.000 1.127 20 V CB 0.143 31.944 31.823 -0.036 0.000 0.925 20 V HN -0.119 nan 8.190 nan 0.000 0.480 21 D N 4.280 124.618 120.400 -0.103 0.000 2.325 21 D HA 0.148 4.789 4.640 0.002 0.000 0.251 21 D C 1.026 177.196 176.300 -0.217 0.000 1.196 21 D CA -0.047 53.862 54.000 -0.152 0.000 0.866 21 D CB 1.458 42.200 40.800 -0.096 0.000 1.101 21 D HN 0.734 nan 8.370 nan 0.000 0.476 22 T N 0.845 115.218 114.554 -0.301 0.000 3.134 22 T HA 0.479 4.830 4.350 0.002 0.000 0.260 22 T C 1.109 175.596 174.700 -0.355 0.000 1.027 22 T CA 0.104 61.921 62.100 -0.472 0.000 0.913 22 T CB -0.030 68.478 68.868 -0.600 0.000 1.046 22 T HN 0.563 nan 8.240 nan 0.000 0.553 23 G N 2.127 110.831 108.800 -0.160 0.000 2.569 23 G HA2 -0.280 3.681 3.960 0.002 0.000 0.259 23 G HA3 -0.280 3.681 3.960 0.002 0.000 0.259 23 G C 0.649 175.571 174.900 0.037 0.000 1.263 23 G CA 0.696 45.768 45.100 -0.046 0.000 0.928 23 G HN 1.159 nan 8.290 nan 0.000 0.572 24 T N -1.782 112.815 114.554 0.073 0.000 3.084 24 T HA 0.607 4.958 4.350 0.002 0.000 0.270 24 T C 1.104 175.864 174.700 0.101 0.000 1.008 24 T CA 1.133 63.281 62.100 0.080 0.000 0.900 24 T CB 0.508 69.403 68.868 0.044 0.000 1.084 24 T HN 1.880 nan 8.240 nan 0.000 0.538 25 G N 0.456 109.353 108.800 0.161 0.000 2.522 25 G HA2 0.481 4.442 3.960 0.002 0.000 0.304 25 G HA3 0.481 4.442 3.960 0.002 0.000 0.304 25 G C 0.599 175.489 174.900 -0.015 0.000 1.210 25 G CA -0.404 44.757 45.100 0.103 0.000 0.960 25 G HN 0.172 nan 8.290 nan 0.000 0.497 26 S N -0.782 114.823 115.700 -0.159 0.000 2.388 26 S HA 0.096 4.567 4.470 0.002 0.000 0.223 26 S C 1.506 175.667 174.600 -0.732 0.000 1.034 26 S CA 0.803 58.811 58.200 -0.321 0.000 0.963 26 S CB -0.114 62.999 63.200 -0.146 0.000 0.827 26 S HN 0.426 nan 8.310 nan 0.000 0.481 27 L N -1.567 119.384 121.223 -0.454 0.000 2.024 27 L HA 0.446 4.787 4.340 0.002 0.000 0.137 27 L C 0.147 177.089 176.870 0.121 0.000 1.357 27 L CA 0.300 55.019 54.840 -0.203 0.000 1.059 27 L CB -0.466 41.542 42.059 -0.084 0.000 2.165 27 L HN 0.228 nan 8.230 nan 0.000 0.478 28 A N 1.050 123.899 122.820 0.049 0.000 2.327 28 A HA 0.603 4.924 4.320 0.002 0.000 0.255 28 A C 0.377 178.015 177.584 0.090 0.000 1.099 28 A CA 0.418 52.502 52.037 0.077 0.000 0.801 28 A CB 0.065 19.084 19.000 0.032 0.000 1.062 28 A HN 0.427 nan 8.150 nan 0.000 0.496 29 A N -0.075 122.797 122.820 0.087 0.000 2.406 29 A HA 0.534 4.855 4.320 0.002 0.000 0.243 29 A C 0.966 178.578 177.584 0.047 0.000 1.082 29 A CA 0.137 52.221 52.037 0.079 0.000 0.786 29 A CB -0.579 18.455 19.000 0.057 0.000 1.029 29 A HN 2.371 nan 8.150 nan 0.000 0.495 30 A N 1.468 124.315 122.820 0.045 0.000 2.584 30 A HA 0.282 4.603 4.320 0.002 0.000 0.239 30 A C 0.445 178.043 177.584 0.023 0.000 1.043 30 A CA 0.558 52.612 52.037 0.029 0.000 0.756 30 A CB -0.436 18.582 19.000 0.029 0.000 0.963 30 A HN 0.868 nan 8.150 nan 0.000 0.511 31 N N 2.746 121.456 118.700 0.017 0.000 2.577 31 N HA 0.268 5.009 4.740 0.002 0.000 0.275 31 N C 0.396 175.913 175.510 0.011 0.000 1.091 31 N CA -0.489 52.570 53.050 0.014 0.000 0.843 31 N CB 0.898 39.393 38.487 0.013 0.000 1.295 31 N HN 0.524 nan 8.380 nan 0.000 0.530 32 L N 1.391 122.620 121.223 0.010 0.000 2.083 32 L HA -0.114 4.226 4.340 0.002 0.000 0.209 32 L C 1.730 178.605 176.870 0.008 0.000 1.083 32 L CA 1.345 56.190 54.840 0.009 0.000 0.752 32 L CB -0.159 41.905 42.059 0.008 0.000 0.899 32 L HN 0.491 nan 8.230 nan 0.000 0.433 33 T N -0.566 113.993 114.554 0.007 0.000 2.904 33 T HA -0.055 4.296 4.350 0.002 0.000 0.267 33 T C 1.825 176.529 174.700 0.006 0.000 1.059 33 T CA 1.001 63.105 62.100 0.006 0.000 1.137 33 T CB -0.137 68.735 68.868 0.006 0.000 0.879 33 T HN 0.405 nan 8.240 nan 0.000 0.467 34 A N 1.056 123.880 122.820 0.007 0.000 2.167 34 A HA 0.085 4.406 4.320 0.002 0.000 0.214 34 A C 0.957 178.545 177.584 0.006 0.000 1.151 34 A CA 0.165 52.206 52.037 0.006 0.000 0.735 34 A CB -0.180 18.824 19.000 0.006 0.000 0.802 34 A HN 0.271 nan 8.150 nan 0.000 0.467 35 R N -1.896 118.608 120.500 0.007 0.000 3.423 35 R HA -0.162 4.179 4.340 0.002 0.000 0.271 35 R C -0.702 175.602 176.300 0.007 0.000 1.093 35 R CA 1.083 57.187 56.100 0.007 0.000 0.730 35 R CB -2.881 27.423 30.300 0.006 0.000 1.190 35 R HN 0.667 nan 8.270 nan 0.000 0.437 36 M N 0.863 120.467 119.600 0.007 0.000 2.261 36 M HA 0.167 4.648 4.480 0.002 0.000 0.349 36 M C 0.929 177.235 176.300 0.009 0.000 1.305 36 M CA 0.116 55.420 55.300 0.006 0.000 1.240 36 M CB 1.271 33.874 32.600 0.005 0.000 1.394 36 M HN 0.037 nan 8.290 nan 0.000 0.438 37 Q N 4.261 124.067 119.800 0.010 0.000 2.330 37 Q HA 0.163 4.504 4.340 0.002 0.000 0.279 37 Q C -2.135 173.874 176.000 0.016 0.000 1.024 37 Q CA -1.291 54.519 55.803 0.013 0.000 0.900 37 Q CB 0.599 29.345 28.738 0.013 0.000 1.221 37 Q HN 0.289 nan 8.270 nan 0.000 0.396 38 P HA 0.041 nan 4.420 nan 0.000 0.267 38 P C -0.949 176.370 177.300 0.032 0.000 1.200 38 P CA 0.405 63.521 63.100 0.027 0.000 0.772 38 P CB 0.440 32.156 31.700 0.026 0.000 0.855 39 I N 0.637 121.233 120.570 0.043 0.000 2.769 39 I HA 0.189 4.360 4.170 0.002 0.000 0.298 39 I C 0.783 176.945 176.117 0.075 0.000 1.128 39 I CA -0.385 60.947 61.300 0.054 0.000 1.031 39 I CB 2.067 40.095 38.000 0.047 0.000 1.235 39 I HN 0.135 nan 8.210 nan 0.000 0.423 40 S N 2.709 118.462 115.700 0.089 0.000 2.470 40 S HA 0.059 4.530 4.470 0.002 0.000 0.225 40 S C 0.002 174.631 174.600 0.047 0.000 1.006 40 S CA 0.727 58.978 58.200 0.084 0.000 0.934 40 S CB -0.243 63.016 63.200 0.099 0.000 0.778 40 S HN 0.543 nan 8.310 nan 0.000 0.517 41 H N 0.856 119.932 119.070 0.010 0.000 2.683 41 H HA 0.357 4.914 4.556 0.001 0.000 0.270 41 H C -0.091 175.307 175.328 0.117 0.000 1.201 41 H CA -0.670 55.377 56.048 -0.001 0.000 1.277 41 H CB 0.003 29.687 29.762 -0.130 0.000 1.400 41 H HN 0.276 nan 8.280 nan 0.000 0.504 42 H N 1.840 120.988 119.070 0.131 0.000 2.983 42 H HA -0.071 4.486 4.556 0.001 0.000 0.361 42 H C 1.109 176.507 175.328 0.117 0.000 1.145 42 H CA 0.275 56.373 56.048 0.084 0.000 1.404 42 H CB 0.907 30.679 29.762 0.017 0.000 1.356 42 H HN 0.640 nan 8.280 nan 0.000 0.612 43 L N 2.653 123.825 121.223 -0.086 0.000 2.013 43 L HA -0.226 4.115 4.340 0.002 0.000 0.212 43 L C 2.171 179.238 176.870 0.329 0.000 1.073 43 L CA 1.680 56.567 54.840 0.080 0.000 0.753 43 L CB -0.530 41.472 42.059 -0.095 0.000 0.890 43 L HN 0.798 nan 8.230 nan 0.000 0.432 44 A N -2.093 120.940 122.820 0.355 0.000 2.302 44 A HA -0.048 4.273 4.320 0.002 0.000 0.219 44 A C 0.454 178.095 177.584 0.095 0.000 1.243 44 A CA -0.222 51.891 52.037 0.128 0.000 0.856 44 A CB -1.050 17.464 19.000 -0.809 0.000 0.893 44 A HN 0.439 nan 8.150 nan 0.000 0.491 45 H N 1.296 120.443 119.070 0.129 0.000 3.094 45 H HA 0.062 4.618 4.556 0.001 0.000 0.320 45 H C -1.195 174.186 175.328 0.087 0.000 1.000 45 H CA -0.298 55.781 56.048 0.052 0.000 1.413 45 H CB 0.997 30.790 29.762 0.051 0.000 1.405 45 H HN 0.125 nan 8.280 nan 0.000 0.586 46 P HA -0.151 nan 4.420 nan 0.000 0.228 46 P C 0.625 178.096 177.300 0.285 0.000 1.151 46 P CA 0.870 64.022 63.100 0.086 0.000 0.770 46 P CB 0.414 32.121 31.700 0.012 0.000 0.786 47 D N -0.328 120.368 120.400 0.493 0.000 2.149 47 D HA -0.114 4.527 4.640 0.002 0.000 0.198 47 D C 1.920 178.372 176.300 0.254 0.000 0.990 47 D CA 1.387 55.634 54.000 0.412 0.000 0.839 47 D CB -0.834 40.239 40.800 0.455 0.000 0.948 47 D HN 0.125 nan 8.370 nan 0.000 0.460 48 T N 0.430 115.125 114.554 0.235 0.000 2.684 48 T HA -0.135 4.216 4.350 0.002 0.000 0.267 48 T C 1.864 176.660 174.700 0.161 0.000 1.036 48 T CA 1.215 63.401 62.100 0.145 0.000 1.148 48 T CB -0.043 68.897 68.868 0.121 0.000 0.863 48 T HN 0.185 nan 8.240 nan 0.000 0.436 49 K N 0.435 120.966 120.400 0.219 0.000 2.103 49 K HA 0.058 4.379 4.320 0.002 0.000 0.204 49 K C 2.542 179.246 176.600 0.172 0.000 1.052 49 K CA 0.609 57.070 56.287 0.290 0.000 0.945 49 K CB -0.071 32.643 32.500 0.357 0.000 0.722 49 K HN 0.127 nan 8.250 nan 0.000 0.443 50 R N 1.372 121.983 120.500 0.185 0.000 2.092 50 R HA -0.084 4.257 4.340 0.002 0.000 0.231 50 R C 2.080 178.332 176.300 -0.080 0.000 1.119 50 R CA 1.305 57.387 56.100 -0.029 0.000 0.970 50 R CB 0.052 30.489 30.300 0.228 0.000 0.864 50 R HN 0.102 nan 8.270 nan 0.000 0.440 51 R N -0.420 120.094 120.500 0.023 0.000 2.096 51 R HA -0.160 4.180 4.340 0.002 0.000 0.235 51 R C 2.183 178.460 176.300 -0.038 0.000 1.127 51 R CA 1.475 57.563 56.100 -0.020 0.000 0.968 51 R CB -0.484 29.812 30.300 -0.007 0.000 0.861 51 R HN 0.202 nan 8.270 nan 0.000 0.440 52 F N 1.408 121.244 119.950 -0.191 0.000 2.069 52 F HA -0.255 4.273 4.527 0.001 0.000 0.298 52 F C 2.310 177.956 175.800 -0.257 0.000 1.113 52 F CA 2.124 59.982 58.000 -0.237 0.000 1.214 52 F CB -1.119 37.793 39.000 -0.147 0.000 0.978 52 F HN 0.080 nan 8.300 nan 0.000 0.474 53 H N 0.126 118.923 119.070 -0.455 0.000 2.319 53 H HA -0.144 4.413 4.556 0.002 0.000 0.299 53 H C 2.103 177.176 175.328 -0.425 0.000 1.092 53 H CA 2.534 58.187 56.048 -0.657 0.000 1.302 53 H CB -0.453 28.445 29.762 -1.440 0.000 1.373 53 H HN 0.467 nan 8.280 nan 0.000 0.497 54 E N -0.533 119.392 120.200 -0.457 0.000 2.153 54 E HA -0.128 4.223 4.350 0.002 0.000 0.194 54 E C 2.121 178.525 176.600 -0.327 0.000 0.988 54 E CA 0.876 57.038 56.400 -0.396 0.000 0.811 54 E CB -0.074 29.517 29.700 -0.182 0.000 0.746 54 E HN 0.374 nan 8.360 nan 0.000 0.466 55 L N 0.634 121.696 121.223 -0.268 0.000 2.093 55 L HA -0.124 4.217 4.340 0.002 0.000 0.208 55 L C 2.174 178.891 176.870 -0.255 0.000 1.085 55 L CA 1.221 55.906 54.840 -0.258 0.000 0.755 55 L CB -0.298 41.559 42.059 -0.336 0.000 0.904 55 L HN -0.086 nan 8.230 nan 0.000 0.435 56 V N -0.973 118.769 119.914 -0.286 0.000 2.324 56 V HA -0.395 3.726 4.120 0.002 0.000 0.250 56 V C 2.577 178.451 176.094 -0.367 0.000 1.060 56 V CA 2.004 64.093 62.300 -0.352 0.000 1.042 56 V CB -0.868 30.628 31.823 -0.544 0.000 0.650 56 V HN 0.638 nan 8.190 nan 0.000 0.450 57 C N -0.199 118.846 119.300 -0.425 0.000 2.543 57 C HA 0.072 4.533 4.460 0.002 0.000 0.281 57 C C 3.075 177.936 174.990 -0.216 0.000 1.276 57 C CA 0.530 59.347 59.018 -0.334 0.000 1.700 57 C CB -1.285 26.218 27.740 -0.396 0.000 2.093 57 C HN 0.609 nan 8.230 nan 0.000 0.488 58 A N 1.391 124.092 122.820 -0.198 0.000 2.019 58 A HA -0.155 4.166 4.320 0.002 0.000 0.219 58 A C 2.236 179.762 177.584 -0.097 0.000 1.164 58 A CA 2.210 54.172 52.037 -0.126 0.000 0.644 58 A CB -0.756 18.179 19.000 -0.108 0.000 0.805 58 A HN 0.738 nan 8.150 nan 0.000 0.449 59 S N -1.917 113.715 115.700 -0.113 0.000 2.481 59 S HA 0.292 4.763 4.470 0.002 0.000 0.231 59 S C 1.602 176.172 174.600 -0.051 0.000 0.996 59 S CA 1.264 59.422 58.200 -0.070 0.000 0.942 59 S CB -0.440 62.712 63.200 -0.078 0.000 0.768 59 S HN 1.931 nan 8.310 nan 0.000 0.520 60 G N 0.592 109.342 108.800 -0.084 0.000 2.176 60 G HA2 -0.283 3.678 3.960 0.002 0.000 0.253 60 G HA3 -0.283 3.678 3.960 0.002 0.000 0.253 60 G C 0.871 175.734 174.900 -0.061 0.000 0.979 60 G CA 0.380 45.434 45.100 -0.078 0.000 0.641 60 G HN 0.396 nan 8.290 nan 0.000 0.530 61 Q N -0.267 119.501 119.800 -0.054 0.000 2.135 61 Q HA -0.062 4.279 4.340 0.002 0.000 0.204 61 Q C 2.611 178.541 176.000 -0.117 0.000 0.981 61 Q CA 1.626 57.418 55.803 -0.018 0.000 0.856 61 Q CB -0.276 28.396 28.738 -0.110 0.000 0.902 61 Q HN 0.750 nan 8.270 nan 0.000 0.425 62 I N 1.626 122.058 120.570 -0.230 0.000 2.399 62 I HA -0.251 3.920 4.170 0.002 0.000 0.254 62 I C 1.681 177.689 176.117 -0.181 0.000 1.146 62 I CA 1.439 62.586 61.300 -0.254 0.000 1.412 62 I CB -0.090 37.761 38.000 -0.248 0.000 1.076 62 I HN 0.203 nan 8.210 nan 0.000 0.432 63 E N -0.902 119.154 120.200 -0.240 0.000 2.268 63 E HA -0.175 4.176 4.350 0.002 0.000 0.195 63 E C 1.285 177.648 176.600 -0.395 0.000 0.995 63 E CA 0.770 56.977 56.400 -0.322 0.000 0.836 63 E CB -0.149 29.294 29.700 -0.428 0.000 0.763 63 E HN 0.667 nan 8.360 nan 0.000 0.491 64 H N -0.680 118.362 119.070 -0.047 0.000 2.551 64 H HA 0.208 4.765 4.556 0.002 0.000 0.271 64 H C 0.453 175.777 175.328 -0.007 0.000 0.984 64 H CA 0.223 56.258 56.048 -0.022 0.000 1.164 64 H CB 0.501 30.249 29.762 -0.024 0.000 1.437 64 H HN 0.049 nan 8.280 nan 0.000 0.550 65 L N 0.898 122.141 121.223 0.034 0.000 2.334 65 L HA 0.294 4.635 4.340 0.002 0.000 0.272 65 L C 0.225 177.141 176.870 0.077 0.000 1.020 65 L CA -0.573 54.300 54.840 0.054 0.000 0.812 65 L CB 1.798 43.836 42.059 -0.034 0.000 1.264 65 L HN -0.132 nan 8.230 nan 0.000 0.439 66 T N 2.396 117.025 114.554 0.125 0.000 2.832 66 T HA 0.293 4.644 4.350 0.002 0.000 0.313 66 T C -2.476 172.320 174.700 0.161 0.000 1.035 66 T CA -1.284 60.886 62.100 0.117 0.000 0.950 66 T CB 0.782 69.713 68.868 0.105 0.000 0.984 66 T HN 0.231 nan 8.240 nan 0.000 0.486 67 P HA 0.183 nan 4.420 nan 0.000 0.267 67 P C -0.663 176.705 177.300 0.114 0.000 1.209 67 P CA -0.317 62.899 63.100 0.194 0.000 0.763 67 P CB 0.351 32.154 31.700 0.171 0.000 0.816 68 I N 2.643 123.269 120.570 0.092 0.000 2.389 68 I HA 0.360 4.531 4.170 0.002 0.000 0.288 68 I C 0.510 176.622 176.117 -0.008 0.000 0.999 68 I CA -1.537 59.786 61.300 0.039 0.000 1.129 68 I CB 1.036 39.061 38.000 0.042 0.000 1.288 68 I HN 0.294 nan 8.210 nan 0.000 0.444 69 A N 5.299 128.101 122.820 -0.029 0.000 2.488 69 A HA 0.608 4.929 4.320 0.002 0.000 0.249 69 A C 0.675 178.206 177.584 -0.089 0.000 1.083 69 A CA -0.233 51.758 52.037 -0.076 0.000 0.768 69 A CB 0.185 19.140 19.000 -0.075 0.000 1.017 69 A HN 0.885 nan 8.150 nan 0.000 0.496 70 A N 2.296 125.036 122.820 -0.133 0.000 2.483 70 A HA 0.496 4.817 4.320 0.002 0.000 0.238 70 A C 0.084 177.603 177.584 -0.108 0.000 1.070 70 A CA -0.025 51.948 52.037 -0.107 0.000 0.770 70 A CB 0.052 18.979 19.000 -0.123 0.000 1.008 70 A HN 1.125 nan 8.150 nan 0.000 0.497 71 V N 1.662 121.524 119.914 -0.087 0.000 2.555 71 V HA 0.555 4.676 4.120 0.002 0.000 0.302 71 V C 0.759 176.807 176.094 -0.076 0.000 1.038 71 V CA -0.384 61.865 62.300 -0.084 0.000 0.887 71 V CB 1.470 33.246 31.823 -0.079 0.000 0.991 71 V HN 1.251 nan 8.190 nan 0.000 0.434 72 A N 3.727 126.506 122.820 -0.070 0.000 2.548 72 A HA 0.532 4.853 4.320 0.002 0.000 0.247 72 A C 0.854 178.402 177.584 -0.060 0.000 1.067 72 A CA 0.475 52.479 52.037 -0.055 0.000 0.757 72 A CB -0.148 18.821 19.000 -0.051 0.000 0.996 72 A HN 1.511 nan 8.150 nan 0.000 0.504 73 A N 3.942 126.725 122.820 -0.061 0.000 2.524 73 A HA 0.474 4.795 4.320 0.002 0.000 0.250 73 A C 1.124 178.652 177.584 -0.094 0.000 1.078 73 A CA 0.519 52.503 52.037 -0.088 0.000 0.761 73 A CB -0.542 18.392 19.000 -0.109 0.000 1.012 73 A HN 1.561 nan 8.150 nan 0.000 0.500 74 T N 0.420 114.929 114.554 -0.075 0.000 2.788 74 T HA 0.221 4.572 4.350 0.002 0.000 0.287 74 T C 0.562 175.208 174.700 -0.091 0.000 1.007 74 T CA 0.145 62.207 62.100 -0.063 0.000 1.005 74 T CB 0.516 69.366 68.868 -0.031 0.000 1.012 74 T HN 0.526 nan 8.240 nan 0.000 0.530 75 D N 0.965 121.320 120.400 -0.076 0.000 2.133 75 D HA -0.093 4.548 4.640 0.002 0.000 0.195 75 D C 2.370 178.634 176.300 -0.060 0.000 0.997 75 D CA 1.904 55.854 54.000 -0.082 0.000 0.840 75 D CB -0.902 39.868 40.800 -0.050 0.000 0.947 75 D HN 0.752 nan 8.370 nan 0.000 0.452 76 A N 1.200 124.004 122.820 -0.028 0.000 1.892 76 A HA -0.239 4.082 4.320 0.002 0.000 0.218 76 A C 1.858 179.447 177.584 0.009 0.000 1.188 76 A CA 2.067 54.103 52.037 -0.001 0.000 0.631 76 A CB -0.593 18.417 19.000 0.017 0.000 0.822 76 A HN 0.087 nan 8.150 nan 0.000 0.447 77 D N -0.074 120.329 120.400 0.005 0.000 2.092 77 D HA -0.152 4.489 4.640 0.002 0.000 0.193 77 D C 1.859 178.146 176.300 -0.022 0.000 0.994 77 D CA 1.491 55.505 54.000 0.022 0.000 0.828 77 D CB -0.423 40.368 40.800 -0.014 0.000 0.963 77 D HN 0.528 nan 8.370 nan 0.000 0.450 78 I N 0.574 121.071 120.570 -0.121 0.000 2.226 78 I HA -0.216 3.955 4.170 0.002 0.000 0.245 78 I C 2.287 178.377 176.117 -0.045 0.000 1.100 78 I CA 0.626 61.810 61.300 -0.194 0.000 1.374 78 I CB -0.084 37.594 38.000 -0.536 0.000 1.057 78 I HN -0.047 nan 8.210 nan 0.000 0.413 79 L N 0.110 121.313 121.223 -0.033 0.000 2.456 79 L HA -0.112 4.229 4.340 0.002 0.000 0.224 79 L C 2.401 179.292 176.870 0.035 0.000 1.148 79 L CA 0.764 55.611 54.840 0.012 0.000 0.825 79 L CB -0.516 41.549 42.059 0.009 0.000 0.937 79 L HN 0.187 nan 8.230 nan 0.000 0.450 80 R N -0.194 120.326 120.500 0.033 0.000 2.235 80 R HA -0.007 4.334 4.340 0.002 0.000 0.213 80 R C 1.852 178.146 176.300 -0.010 0.000 1.059 80 R CA 1.039 57.172 56.100 0.054 0.000 0.997 80 R CB -0.030 30.336 30.300 0.110 0.000 0.884 80 R HN 0.342 nan 8.270 nan 0.000 0.462 81 A N -0.564 122.203 122.820 -0.088 0.000 2.141 81 A HA 0.171 4.492 4.320 0.002 0.000 0.201 81 A C -0.019 177.317 177.584 -0.413 0.000 1.344 81 A CA -0.033 51.801 52.037 -0.338 0.000 0.971 81 A CB 0.331 19.117 19.000 -0.357 0.000 1.035 81 A HN 0.206 nan 8.150 nan 0.000 0.480 82 H N -0.192 118.876 119.070 -0.004 0.000 2.679 82 H HA 0.519 5.076 4.556 0.002 0.000 0.367 82 H C 0.326 175.393 175.328 -0.435 0.000 1.162 82 H CA -0.048 55.865 56.048 -0.224 0.000 1.181 82 H CB 1.643 31.459 29.762 0.090 0.000 1.693 82 H HN 0.264 nan 8.280 nan 0.000 0.538 83 S N 0.723 115.989 115.700 -0.723 0.000 2.576 83 S HA 0.163 4.634 4.470 0.002 0.000 0.272 83 S C 1.472 176.045 174.600 -0.045 0.000 1.352 83 S CA -0.256 57.748 58.200 -0.326 0.000 1.021 83 S CB 1.140 64.193 63.200 -0.244 0.000 0.887 83 S HN 0.828 nan 8.310 nan 0.000 0.542 84 A N 2.450 125.270 122.820 -0.000 0.000 1.933 84 A HA 0.144 4.465 4.320 0.002 0.000 0.218 84 A C 2.407 180.001 177.584 0.016 0.000 1.175 84 A CA 1.719 53.763 52.037 0.012 0.000 0.628 84 A CB -1.624 17.386 19.000 0.016 0.000 0.814 84 A HN 1.377 nan 8.150 nan 0.000 0.444 85 A N -0.853 121.981 122.820 0.023 0.000 1.902 85 A HA -0.170 4.151 4.320 0.002 0.000 0.217 85 A C 2.044 179.660 177.584 0.053 0.000 1.181 85 A CA 2.137 54.192 52.037 0.030 0.000 0.623 85 A CB -0.828 18.190 19.000 0.030 0.000 0.818 85 A HN 0.757 nan 8.150 nan 0.000 0.443 86 H N -0.444 118.607 119.070 -0.032 0.000 2.326 86 H HA -0.079 4.478 4.556 0.001 0.000 0.301 86 H C 1.786 177.136 175.328 0.036 0.000 1.081 86 H CA 1.768 57.801 56.048 -0.024 0.000 1.334 86 H CB -0.421 29.311 29.762 -0.050 0.000 1.385 86 H HN 0.286 nan 8.280 nan 0.000 0.504 87 L N 0.727 121.914 121.223 -0.060 0.000 2.012 87 L HA -0.145 4.196 4.340 0.002 0.000 0.210 87 L C 2.162 179.000 176.870 -0.054 0.000 1.073 87 L CA 1.995 56.805 54.840 -0.050 0.000 0.748 87 L CB -0.805 41.238 42.059 -0.026 0.000 0.891 87 L HN 0.278 nan 8.230 nan 0.000 0.431 88 E N -0.106 120.073 120.200 -0.035 0.000 2.058 88 E HA -0.267 4.084 4.350 0.002 0.000 0.194 88 E C 2.132 178.706 176.600 -0.042 0.000 0.997 88 E CA 1.390 57.774 56.400 -0.027 0.000 0.801 88 E CB -0.508 29.185 29.700 -0.012 0.000 0.746 88 E HN 0.579 nan 8.360 nan 0.000 0.450 89 N N -0.061 118.608 118.700 -0.052 0.000 2.149 89 N HA -0.142 4.599 4.740 0.002 0.000 0.188 89 N C 1.627 177.078 175.510 -0.098 0.000 1.019 89 N CA 1.253 54.270 53.050 -0.055 0.000 0.857 89 N CB -0.074 38.401 38.487 -0.020 0.000 0.997 89 N HN 0.055 nan 8.380 nan 0.000 0.426 90 M N 0.520 120.013 119.600 -0.179 0.000 2.175 90 M HA -0.040 4.441 4.480 0.002 0.000 0.264 90 M C 1.761 178.006 176.300 -0.092 0.000 1.063 90 M CA 1.184 56.364 55.300 -0.201 0.000 1.119 90 M CB -0.792 31.591 32.600 -0.362 0.000 1.377 90 M HN 0.156 nan 8.290 nan 0.000 0.415 91 K N -0.242 120.129 120.400 -0.048 0.000 2.032 91 K HA -0.175 4.146 4.320 0.002 0.000 0.209 91 K C 2.191 178.773 176.600 -0.031 0.000 1.048 91 K CA 1.333 57.605 56.287 -0.025 0.000 0.927 91 K CB -0.289 32.202 32.500 -0.014 0.000 0.712 91 K HN 0.241 nan 8.250 nan 0.000 0.441 92 R N 1.073 121.553 120.500 -0.034 0.000 2.094 92 R HA -0.167 4.174 4.340 0.002 0.000 0.239 92 R C 2.160 178.442 176.300 -0.031 0.000 1.137 92 R CA 1.668 57.752 56.100 -0.028 0.000 0.943 92 R CB -0.337 29.948 30.300 -0.025 0.000 0.850 92 R HN 0.008 nan 8.270 nan 0.000 0.433 93 V N 0.055 119.943 119.914 -0.042 0.000 2.295 93 V HA -0.217 3.904 4.120 0.002 0.000 0.246 93 V C 2.373 178.443 176.094 -0.040 0.000 1.049 93 V CA 2.109 64.383 62.300 -0.043 0.000 1.024 93 V CB -0.416 31.373 31.823 -0.056 0.000 0.648 93 V HN 0.462 nan 8.190 nan 0.000 0.447 94 S N 0.102 115.774 115.700 -0.046 0.000 2.402 94 S HA -0.174 4.297 4.470 0.002 0.000 0.229 94 S C 1.827 176.412 174.600 -0.024 0.000 1.021 94 S CA 1.459 59.638 58.200 -0.036 0.000 0.974 94 S CB -0.433 62.746 63.200 -0.035 0.000 0.800 94 S HN 0.624 nan 8.310 nan 0.000 0.484 95 N N 1.103 119.790 118.700 -0.022 0.000 2.396 95 N HA 0.124 4.865 4.740 0.002 0.000 0.180 95 N C 0.222 175.723 175.510 -0.015 0.000 1.028 95 N CA 0.190 53.230 53.050 -0.016 0.000 0.893 95 N CB -0.466 38.012 38.487 -0.015 0.000 0.967 95 N HN 0.453 nan 8.380 nan 0.000 0.440 96 L N 1.677 122.890 121.223 -0.017 0.000 2.543 96 L HA -0.025 4.316 4.340 0.002 0.000 0.285 96 L C -0.929 175.934 176.870 -0.013 0.000 1.236 96 L CA -1.016 53.816 54.840 -0.015 0.000 0.871 96 L CB 0.074 42.124 42.059 -0.016 0.000 1.121 96 L HN -0.046 nan 8.230 nan 0.000 0.501 97 P HA -0.173 nan 4.420 nan 0.000 0.216 97 P C 0.857 178.151 177.300 -0.010 0.000 1.154 97 P CA 1.578 64.672 63.100 -0.009 0.000 0.865 97 P CB 0.083 31.778 31.700 -0.008 0.000 0.789 98 T N -5.525 109.022 114.554 -0.011 0.000 3.380 98 T HA 0.589 4.940 4.350 0.002 0.000 0.289 98 T C 0.821 175.511 174.700 -0.017 0.000 1.012 98 T CA -0.083 62.009 62.100 -0.013 0.000 0.944 98 T CB -0.363 68.498 68.868 -0.012 0.000 1.172 98 T HN 0.332 nan 8.240 nan 0.000 0.502 99 G N 0.409 109.199 108.800 -0.018 0.000 2.575 99 G HA2 0.301 4.262 3.960 0.002 0.000 0.267 99 G HA3 0.301 4.262 3.960 0.002 0.000 0.267 99 G C 0.158 175.045 174.900 -0.022 0.000 1.264 99 G CA -0.251 44.836 45.100 -0.023 0.000 0.935 99 G HN 1.915 nan 8.290 nan 0.000 0.568 100 G N -1.806 106.979 108.800 -0.025 0.000 2.344 100 G HA2 0.509 4.469 3.960 0.002 0.000 0.282 100 G HA3 0.509 4.469 3.960 0.002 0.000 0.282 100 G C -1.435 173.454 174.900 -0.019 0.000 1.281 100 G CA 0.695 45.784 45.100 -0.019 0.000 0.877 100 G HN 1.410 nan 8.290 nan 0.000 0.494 101 D N 0.674 121.067 120.400 -0.011 0.000 2.401 101 D HA 0.356 4.997 4.640 0.002 0.000 0.254 101 D C 1.921 178.214 176.300 -0.013 0.000 1.192 101 D CA 0.694 54.691 54.000 -0.006 0.000 0.885 101 D CB 1.299 42.099 40.800 -0.000 0.000 1.147 101 D HN 0.592 nan 8.370 nan 0.000 0.478 102 T N 0.778 115.324 114.554 -0.013 0.000 3.148 102 T HA 0.272 4.623 4.350 0.002 0.000 0.253 102 T C 1.296 175.995 174.700 -0.002 0.000 1.134 102 T CA 0.572 62.660 62.100 -0.019 0.000 1.051 102 T CB 0.244 69.092 68.868 -0.032 0.000 0.959 102 T HN 0.557 nan 8.240 nan 0.000 0.525 103 G N 1.947 110.747 108.800 -0.001 0.000 3.211 103 G HA2 -0.142 3.819 3.960 0.002 0.000 0.202 103 G HA3 -0.142 3.819 3.960 0.002 0.000 0.202 103 G C 0.519 175.417 174.900 -0.004 0.000 1.035 103 G CA 0.376 45.475 45.100 -0.001 0.000 0.846 103 G HN 0.599 nan 8.290 nan 0.000 0.464 104 D N 0.706 121.106 120.400 0.000 0.000 2.369 104 D HA 0.390 5.031 4.640 0.002 0.000 0.211 104 D C 1.802 178.108 176.300 0.011 0.000 1.077 104 D CA 0.738 54.738 54.000 0.001 0.000 0.842 104 D CB -0.192 40.607 40.800 -0.001 0.000 0.947 104 D HN 1.534 nan 8.370 nan 0.000 0.509 105 G N 0.413 109.222 108.800 0.015 0.000 2.184 105 G HA2 -0.287 3.674 3.960 0.002 0.000 0.264 105 G HA3 -0.287 3.674 3.960 0.002 0.000 0.264 105 G C 0.779 175.702 174.900 0.039 0.000 0.975 105 G CA 0.622 45.735 45.100 0.021 0.000 0.642 105 G HN 0.369 nan 8.290 nan 0.000 0.536 106 I N 0.321 120.922 120.570 0.052 0.000 3.873 106 I HA 0.159 4.330 4.170 0.002 0.000 0.284 106 I C 1.117 177.319 176.117 0.142 0.000 1.186 106 I CA 1.233 62.593 61.300 0.101 0.000 1.362 106 I CB -0.800 37.242 38.000 0.071 0.000 1.432 106 I HN 0.066 nan 8.210 nan 0.000 0.454 107 T N 5.169 119.790 114.554 0.111 0.000 2.738 107 T HA 0.328 4.678 4.350 0.002 0.000 0.294 107 T C 0.368 175.097 174.700 0.047 0.000 0.914 107 T CA 0.028 62.204 62.100 0.126 0.000 1.052 107 T CB 0.265 69.193 68.868 0.100 0.000 0.897 107 T HN -0.085 nan 8.240 nan 0.000 0.522 108 M N 3.538 123.150 119.600 0.021 0.000 2.423 108 M HA 0.546 5.027 4.480 0.002 0.000 0.335 108 M C -0.288 175.986 176.300 -0.044 0.000 1.177 108 M CA -0.809 54.480 55.300 -0.019 0.000 1.038 108 M CB 1.660 34.239 32.600 -0.034 0.000 1.641 108 M HN 0.557 nan 8.290 nan 0.000 0.455 109 M N 0.907 120.478 119.600 -0.049 0.000 2.326 109 M HA 0.627 5.108 4.480 0.002 0.000 0.306 109 M C -0.096 176.177 176.300 -0.046 0.000 1.054 109 M CA -0.302 54.963 55.300 -0.059 0.000 0.922 109 M CB 2.071 34.624 32.600 -0.079 0.000 1.632 109 M HN 0.806 nan 8.290 nan 0.000 0.436 110 G N 2.286 111.061 108.800 -0.042 0.000 2.580 110 G HA2 0.155 4.116 3.960 0.002 0.000 0.278 110 G HA3 0.155 4.116 3.960 0.002 0.000 0.278 110 G C -0.594 174.292 174.900 -0.023 0.000 1.212 110 G CA -0.668 44.414 45.100 -0.030 0.000 0.939 110 G HN 0.846 nan 8.290 nan 0.000 0.513 111 N N -0.541 118.150 118.700 -0.016 0.000 2.411 111 N HA 0.337 5.078 4.740 0.002 0.000 0.261 111 N C 1.345 176.851 175.510 -0.007 0.000 1.248 111 N CA 1.526 54.569 53.050 -0.012 0.000 0.885 111 N CB 0.384 38.866 38.487 -0.009 0.000 1.062 111 N HN 1.159 nan 8.380 nan 0.000 0.471 112 G N 1.962 110.756 108.800 -0.010 0.000 2.155 112 G HA2 -0.257 3.704 3.960 0.002 0.000 0.257 112 G HA3 -0.257 3.704 3.960 0.002 0.000 0.257 112 G C 0.951 175.847 174.900 -0.008 0.000 0.983 112 G CA 0.479 45.575 45.100 -0.007 0.000 0.676 112 G HN 0.893 nan 8.290 nan 0.000 0.528 113 G N -0.068 108.723 108.800 -0.015 0.000 2.509 113 G HA2 0.126 4.087 3.960 0.002 0.000 0.218 113 G HA3 0.126 4.087 3.960 0.002 0.000 0.218 113 G C 1.663 176.550 174.900 -0.023 0.000 1.124 113 G CA 1.381 46.469 45.100 -0.020 0.000 0.776 113 G HN 0.919 nan 8.290 nan 0.000 0.547 114 L N 0.920 122.131 121.223 -0.019 0.000 2.079 114 L HA -0.064 4.277 4.340 0.002 0.000 0.210 114 L C 2.475 179.370 176.870 0.042 0.000 1.081 114 L CA 2.399 57.247 54.840 0.013 0.000 0.752 114 L CB -0.570 41.505 42.059 0.027 0.000 0.896 114 L HN 0.440 nan 8.230 nan 0.000 0.433 115 E N -0.267 119.938 120.200 0.010 0.000 2.086 115 E HA -0.280 4.071 4.350 0.002 0.000 0.200 115 E C 2.158 178.756 176.600 -0.004 0.000 1.012 115 E CA 2.353 58.748 56.400 -0.008 0.000 0.812 115 E CB -0.251 29.428 29.700 -0.034 0.000 0.743 115 E HN 0.681 nan 8.360 nan 0.000 0.453 116 I N 0.604 121.171 120.570 -0.004 0.000 2.252 116 I HA -0.207 3.964 4.170 0.002 0.000 0.245 116 I C 2.678 178.832 176.117 0.061 0.000 1.102 116 I CA 0.832 62.140 61.300 0.012 0.000 1.385 116 I CB -0.487 37.517 38.000 0.006 0.000 1.064 116 I HN 0.145 nan 8.210 nan 0.000 0.414 117 A N 1.289 124.143 122.820 0.055 0.000 1.917 117 A HA -0.239 4.082 4.320 0.002 0.000 0.219 117 A C 2.443 180.176 177.584 0.247 0.000 1.182 117 A CA 1.752 53.859 52.037 0.117 0.000 0.633 117 A CB -0.665 18.340 19.000 0.009 0.000 0.819 117 A HN 0.334 nan 8.150 nan 0.000 0.448 118 R N -0.852 119.766 120.500 0.197 0.000 2.081 118 R HA -0.040 4.301 4.340 0.002 0.000 0.235 118 R C 2.043 178.378 176.300 0.059 0.000 1.131 118 R CA 1.465 57.629 56.100 0.106 0.000 0.960 118 R CB -0.468 29.858 30.300 0.043 0.000 0.856 118 R HN 0.526 nan 8.270 nan 0.000 0.436 119 L N -0.149 121.111 121.223 0.063 0.000 2.156 119 L HA -0.127 4.214 4.340 0.002 0.000 0.208 119 L C 2.609 179.604 176.870 0.209 0.000 1.095 119 L CA 0.837 55.720 54.840 0.071 0.000 0.770 119 L CB -0.332 41.719 42.059 -0.012 0.000 0.914 119 L HN 0.181 nan 8.230 nan 0.000 0.439 120 S N -0.135 115.669 115.700 0.174 0.000 2.338 120 S HA -0.181 4.290 4.470 0.002 0.000 0.218 120 S C 2.193 176.779 174.600 -0.024 0.000 1.032 120 S CA 1.330 59.495 58.200 -0.058 0.000 0.999 120 S CB -0.142 62.975 63.200 -0.138 0.000 0.905 120 S HN 0.422 nan 8.310 nan 0.000 0.439 121 A N 0.760 123.611 122.820 0.051 0.000 1.908 121 A HA 0.060 4.381 4.320 0.002 0.000 0.218 121 A C 2.335 179.910 177.584 -0.015 0.000 1.181 121 A CA 1.959 54.021 52.037 0.043 0.000 0.627 121 A CB -1.620 17.427 19.000 0.078 0.000 0.818 121 A HN 0.654 nan 8.150 nan 0.000 0.445 122 G N -0.898 107.891 108.800 -0.019 0.000 2.443 122 G HA2 0.094 4.055 3.960 0.002 0.000 0.219 122 G HA3 0.094 4.055 3.960 0.002 0.000 0.219 122 G C 1.456 176.320 174.900 -0.060 0.000 1.131 122 G CA 1.196 46.259 45.100 -0.062 0.000 0.775 122 G HN 0.702 nan 8.290 nan 0.000 0.547 123 G N 1.273 110.073 108.800 -0.000 0.000 2.421 123 G HA2 0.005 3.966 3.960 0.002 0.000 0.216 123 G HA3 0.005 3.966 3.960 0.002 0.000 0.216 123 G C 2.061 176.939 174.900 -0.037 0.000 1.171 123 G CA 1.551 46.660 45.100 0.016 0.000 0.775 123 G HN 0.594 nan 8.290 nan 0.000 0.543 124 A N 0.002 122.789 122.820 -0.054 0.000 1.908 124 A HA 0.053 4.374 4.320 0.002 0.000 0.218 124 A C 2.629 180.157 177.584 -0.093 0.000 1.181 124 A CA 1.953 53.949 52.037 -0.069 0.000 0.627 124 A CB -0.668 18.297 19.000 -0.059 0.000 0.818 124 A HN 0.273 nan 8.150 nan 0.000 0.445 125 V N 0.039 119.869 119.914 -0.140 0.000 2.261 125 V HA -0.202 3.919 4.120 0.002 0.000 0.246 125 V C 2.614 178.514 176.094 -0.324 0.000 1.047 125 V CA 2.109 64.232 62.300 -0.295 0.000 1.015 125 V CB -0.705 30.882 31.823 -0.393 0.000 0.642 125 V HN 0.498 nan 8.190 nan 0.000 0.446 126 E N -0.238 119.832 120.200 -0.216 0.000 2.110 126 E HA -0.206 4.145 4.350 0.002 0.000 0.193 126 E C 2.068 178.621 176.600 -0.079 0.000 0.988 126 E CA 1.106 57.417 56.400 -0.149 0.000 0.804 126 E CB -0.363 29.279 29.700 -0.097 0.000 0.745 126 E HN 0.417 nan 8.360 nan 0.000 0.458 127 L N 0.773 121.963 121.223 -0.056 0.000 2.056 127 L HA -0.104 4.237 4.340 0.002 0.000 0.207 127 L C 2.221 179.089 176.870 -0.002 0.000 1.078 127 L CA 1.765 56.599 54.840 -0.008 0.000 0.749 127 L CB -0.909 41.154 42.059 0.006 0.000 0.901 127 L HN 0.034 nan 8.230 nan 0.000 0.433 128 T N -0.455 114.084 114.554 -0.026 0.000 2.684 128 T HA -0.244 4.107 4.350 0.002 0.000 0.267 128 T C 1.993 176.731 174.700 0.063 0.000 1.036 128 T CA 1.668 63.776 62.100 0.012 0.000 1.148 128 T CB -0.251 68.628 68.868 0.019 0.000 0.863 128 T HN 0.312 nan 8.240 nan 0.000 0.436 129 R N 0.858 121.381 120.500 0.039 0.000 2.094 129 R HA -0.110 4.231 4.340 0.002 0.000 0.239 129 R C 2.551 178.904 176.300 0.088 0.000 1.137 129 R CA 1.657 57.839 56.100 0.137 0.000 0.943 129 R CB -0.111 30.214 30.300 0.041 0.000 0.850 129 R HN 0.318 nan 8.270 nan 0.000 0.433 130 R N -0.441 120.086 120.500 0.045 0.000 2.148 130 R HA -0.038 4.303 4.340 0.002 0.000 0.223 130 R C 2.233 178.562 176.300 0.049 0.000 1.088 130 R CA 1.106 57.233 56.100 0.046 0.000 0.985 130 R CB -0.016 30.306 30.300 0.038 0.000 0.880 130 R HN 0.139 nan 8.270 nan 0.000 0.451 131 V N 0.717 120.659 119.914 0.048 0.000 2.453 131 V HA -0.160 3.961 4.120 0.002 0.000 0.247 131 V C 2.333 178.448 176.094 0.035 0.000 1.048 131 V CA 1.868 64.193 62.300 0.042 0.000 1.049 131 V CB -0.428 31.419 31.823 0.041 0.000 0.672 131 V HN 0.367 nan 8.190 nan 0.000 0.457 132 A N 0.804 123.651 122.820 0.045 0.000 1.969 132 A HA -0.185 4.136 4.320 0.002 0.000 0.218 132 A C 2.413 180.017 177.584 0.034 0.000 1.169 132 A CA 2.121 54.182 52.037 0.039 0.000 0.635 132 A CB -0.868 18.166 19.000 0.056 0.000 0.810 132 A HN 0.622 nan 8.150 nan 0.000 0.445 133 T N -3.896 110.684 114.554 0.044 0.000 3.072 133 T HA 0.299 4.649 4.350 0.002 0.000 0.266 133 T C 1.559 176.278 174.700 0.032 0.000 1.127 133 T CA 1.247 63.369 62.100 0.037 0.000 1.107 133 T CB -0.314 68.579 68.868 0.042 0.000 0.910 133 T HN 1.687 nan 8.240 nan 0.000 0.513 134 G N 1.148 109.967 108.800 0.032 0.000 2.176 134 G HA2 -0.340 3.621 3.960 0.002 0.000 0.253 134 G HA3 -0.340 3.621 3.960 0.002 0.000 0.253 134 G C 0.603 175.530 174.900 0.045 0.000 0.979 134 G CA 0.640 45.759 45.100 0.032 0.000 0.641 134 G HN 0.608 nan 8.290 nan 0.000 0.530 135 E N -0.428 119.799 120.200 0.046 0.000 2.085 135 E HA -0.000 4.351 4.350 0.002 0.000 0.194 135 E C 1.014 177.653 176.600 0.064 0.000 0.994 135 E CA 0.892 57.323 56.400 0.052 0.000 0.801 135 E CB -0.066 29.662 29.700 0.047 0.000 0.743 135 E HN 0.638 nan 8.360 nan 0.000 0.453 136 L N -0.205 121.055 121.223 0.061 0.000 2.333 136 L HA 0.208 4.549 4.340 0.002 0.000 0.269 136 L C 1.263 178.161 176.870 0.047 0.000 1.010 136 L CA -0.377 54.506 54.840 0.072 0.000 0.818 136 L CB 1.936 44.044 42.059 0.081 0.000 1.306 136 L HN -0.026 nan 8.230 nan 0.000 0.430 137 S N 0.243 115.962 115.700 0.033 0.000 2.425 137 S HA 0.414 4.885 4.470 0.002 0.000 0.225 137 S C 0.552 175.149 174.600 -0.005 0.000 1.024 137 S CA 0.388 58.549 58.200 -0.064 0.000 0.951 137 S CB 0.244 63.289 63.200 -0.258 0.000 0.796 137 S HN 0.784 nan 8.310 nan 0.000 0.498 138 A N -0.783 122.077 122.820 0.067 0.000 2.511 138 A HA 0.806 5.127 4.320 0.002 0.000 0.293 138 A C -0.349 177.338 177.584 0.171 0.000 1.098 138 A CA -0.393 51.720 52.037 0.126 0.000 0.643 138 A CB 0.654 19.754 19.000 0.168 0.000 1.302 138 A HN 1.257 nan 8.150 nan 0.000 0.446 139 G N -1.823 107.120 108.800 0.238 0.000 2.523 139 G HA2 0.561 4.522 3.960 0.002 0.000 0.291 139 G HA3 0.561 4.522 3.960 0.002 0.000 0.291 139 G C -2.299 172.818 174.900 0.362 0.000 1.450 139 G CA -0.353 44.907 45.100 0.268 0.000 0.790 139 G HN 1.396 nan 8.290 nan 0.000 0.496 140 Y N 0.601 121.055 120.300 0.256 0.000 2.338 140 Y HA 0.609 5.160 4.550 0.001 0.000 0.333 140 Y C 0.075 176.053 175.900 0.130 0.000 0.968 140 Y CA -0.653 57.605 58.100 0.263 0.000 1.123 140 Y CB 1.996 40.628 38.460 0.287 0.000 1.165 140 Y HN 0.820 nan 8.280 nan 0.000 0.452 141 A N 7.279 130.120 122.820 0.034 0.000 2.280 141 A HA 0.359 4.680 4.320 0.002 0.000 0.320 141 A C -0.903 176.732 177.584 0.086 0.000 1.366 141 A CA -0.622 51.429 52.037 0.023 0.000 0.938 141 A CB 0.086 19.057 19.000 -0.049 0.000 1.157 141 A HN 0.906 nan 8.150 nan 0.000 0.536 142 L N 5.231 126.556 121.223 0.170 0.000 2.480 142 L HA 0.232 4.573 4.340 0.002 0.000 0.243 142 L C 0.231 177.152 176.870 0.086 0.000 1.315 142 L CA -0.369 54.629 54.840 0.264 0.000 1.231 142 L CB -0.312 41.844 42.059 0.162 0.000 1.444 142 L HN 0.653 nan 8.230 nan 0.000 0.409 143 V N 0.270 120.059 119.914 -0.208 0.000 3.036 143 V HA 0.619 4.740 4.120 0.002 0.000 0.308 143 V C -0.306 175.437 176.094 -0.586 0.000 1.070 143 V CA -0.643 61.156 62.300 -0.835 0.000 1.056 143 V CB 1.809 33.280 31.823 -0.587 0.000 1.084 143 V HN 0.682 nan 8.190 nan 0.000 0.471 144 N N 1.411 119.613 118.700 -0.830 0.000 2.635 144 N HA 0.516 5.257 4.740 0.002 0.000 0.260 144 N C -3.253 172.110 175.510 -0.245 0.000 1.078 144 N CA -0.987 51.874 53.050 -0.315 0.000 1.012 144 N CB 2.722 41.144 38.487 -0.110 0.000 1.677 144 N HN 0.616 nan 8.380 nan 0.000 0.514 145 P HA 0.302 nan 4.420 nan 0.000 0.272 145 P C -2.654 174.634 177.300 -0.020 0.000 1.230 145 P CA -0.819 62.262 63.100 -0.032 0.000 0.788 145 P CB 0.156 31.853 31.700 -0.004 0.000 0.949 146 P HA 0.112 nan 4.420 nan 0.000 0.286 146 P C 0.454 177.816 177.300 0.103 0.000 1.293 146 P CA 0.186 63.324 63.100 0.064 0.000 0.770 146 P CB 0.420 32.197 31.700 0.128 0.000 1.206 147 G N -1.679 107.189 108.800 0.113 0.000 2.597 147 G HA2 -0.035 3.926 3.960 0.002 0.000 0.196 147 G HA3 -0.035 3.926 3.960 0.002 0.000 0.196 147 G C 1.162 176.188 174.900 0.210 0.000 1.176 147 G CA 0.382 45.579 45.100 0.161 0.000 0.747 147 G HN 0.722 nan 8.290 nan 0.000 0.821 148 H N -1.262 117.782 119.070 -0.044 0.000 2.521 148 H HA 0.107 4.664 4.556 0.001 0.000 0.286 148 H C 1.919 177.193 175.328 -0.089 0.000 1.034 148 H CA 0.969 56.967 56.048 -0.083 0.000 1.278 148 H CB -0.091 29.588 29.762 -0.138 0.000 1.386 148 H HN 0.278 nan 8.280 nan 0.000 0.567 149 H N 1.207 120.241 119.070 -0.060 0.000 2.512 149 H HA 0.310 4.867 4.556 0.002 0.000 0.279 149 H C 0.970 176.255 175.328 -0.071 0.000 0.999 149 H CA 0.518 56.470 56.048 -0.161 0.000 1.283 149 H CB -0.155 29.565 29.762 -0.071 0.000 1.421 149 H HN 0.513 nan 8.280 nan 0.000 0.554 150 A N 4.484 127.380 122.820 0.128 0.000 2.476 150 A HA 0.184 4.505 4.320 0.002 0.000 0.275 150 A C -1.915 175.734 177.584 0.108 0.000 1.133 150 A CA -0.950 51.137 52.037 0.084 0.000 0.797 150 A CB -0.003 19.076 19.000 0.132 0.000 1.081 150 A HN 0.114 nan 8.150 nan 0.000 0.510 151 P HA 0.090 nan 4.420 nan 0.000 0.293 151 P C 0.602 177.939 177.300 0.062 0.000 1.304 151 P CA -0.196 62.898 63.100 -0.011 0.000 0.767 151 P CB 0.594 32.252 31.700 -0.071 0.000 1.247 152 H N -0.102 118.917 119.070 -0.085 0.000 2.353 152 H HA -0.136 4.421 4.556 0.002 0.000 0.298 152 H C 1.286 176.647 175.328 0.055 0.000 1.103 152 H CA 2.214 58.226 56.048 -0.060 0.000 1.293 152 H CB -0.154 29.528 29.762 -0.133 0.000 1.372 152 H HN 0.361 nan 8.280 nan 0.000 0.501 153 N N -0.219 118.432 118.700 -0.081 0.000 2.275 153 N HA 0.313 5.054 4.740 0.002 0.000 0.236 153 N C -1.153 174.217 175.510 -0.233 0.000 1.154 153 N CA 0.487 53.454 53.050 -0.139 0.000 0.866 153 N CB 0.465 38.933 38.487 -0.032 0.000 1.093 153 N HN 0.376 nan 8.380 nan 0.000 0.515 154 A N -0.171 122.337 122.820 -0.520 0.000 2.601 154 A HA 0.718 5.039 4.320 0.002 0.000 0.291 154 A C -1.437 175.734 177.584 -0.689 0.000 1.075 154 A CA -0.576 51.156 52.037 -0.507 0.000 0.671 154 A CB 0.869 19.753 19.000 -0.193 0.000 1.277 154 A HN 0.146 nan 8.150 nan 0.000 0.417 155 A N 0.663 123.346 122.820 -0.230 0.000 2.293 155 A HA 0.903 5.224 4.320 0.002 0.000 0.302 155 A C -0.221 177.333 177.584 -0.049 0.000 1.119 155 A CA -0.156 51.838 52.037 -0.071 0.000 0.823 155 A CB 0.863 19.880 19.000 0.028 0.000 1.097 155 A HN 1.857 nan 8.150 nan 0.000 0.491 156 M N 1.096 120.695 119.600 -0.001 0.000 2.449 156 M HA 0.477 4.958 4.480 0.002 0.000 0.291 156 M C 0.180 176.517 176.300 0.062 0.000 1.148 156 M CA 0.798 56.105 55.300 0.011 0.000 0.925 156 M CB 1.618 34.202 32.600 -0.026 0.000 1.767 156 M HN 2.130 nan 8.290 nan 0.000 0.503 157 G N 3.338 112.115 108.800 -0.037 0.000 2.338 157 G HA2 -0.271 3.690 3.960 0.002 0.000 0.296 157 G HA3 -0.271 3.690 3.960 0.002 0.000 0.296 157 G C 0.120 174.899 174.900 -0.202 0.000 1.040 157 G CA 0.775 45.715 45.100 -0.267 0.000 1.004 157 G HN 1.267 nan 8.290 nan 0.000 0.509 158 F N -4.559 115.448 119.950 0.095 0.000 2.656 158 F HA -0.317 4.211 4.527 0.001 0.000 0.381 158 F C 1.388 177.231 175.800 0.073 0.000 0.603 158 F CA 0.279 58.326 58.000 0.078 0.000 1.335 158 F CB -1.985 37.089 39.000 0.123 0.000 1.836 158 F HN 0.538 nan 8.300 nan 0.000 0.290 159 C N 2.329 121.770 119.300 0.234 0.000 2.285 159 C HA 0.443 4.904 4.460 0.002 0.000 0.335 159 C C 1.845 176.855 174.990 0.033 0.000 1.267 159 C CA -0.895 58.214 59.018 0.152 0.000 1.762 159 C CB 0.467 28.324 27.740 0.196 0.000 2.365 159 C HN 0.225 nan 8.230 nan 0.000 0.527 160 I N 1.033 121.559 120.570 -0.074 0.000 2.512 160 I HA 0.218 4.389 4.170 0.002 0.000 0.247 160 I C 0.377 176.218 176.117 -0.461 0.000 1.094 160 I CA 1.209 62.312 61.300 -0.329 0.000 1.427 160 I CB -0.575 37.106 38.000 -0.531 0.000 1.149 160 I HN 0.396 nan 8.210 nan 0.000 0.438 161 F N 0.432 120.403 119.950 0.035 0.000 2.561 161 F HA 0.379 4.907 4.527 0.002 0.000 0.321 161 F C 0.784 176.717 175.800 0.222 0.000 1.065 161 F CA -1.451 56.575 58.000 0.043 0.000 0.934 161 F CB 0.402 39.445 39.000 0.071 0.000 1.215 161 F HN -0.127 nan 8.300 nan 0.000 0.471 162 N N 2.608 121.735 118.700 0.711 0.000 2.605 162 N HA 0.015 4.756 4.740 0.002 0.000 0.258 162 N C 0.608 176.290 175.510 0.287 0.000 1.156 162 N CA 0.169 53.453 53.050 0.390 0.000 1.008 162 N CB 0.029 38.685 38.487 0.282 0.000 1.354 162 N HN 0.555 nan 8.380 nan 0.000 0.509 163 N N 1.111 119.936 118.700 0.207 0.000 2.060 163 N HA -0.206 4.535 4.740 0.002 0.000 0.195 163 N C 1.645 177.207 175.510 0.086 0.000 1.028 163 N CA 2.181 55.303 53.050 0.120 0.000 0.861 163 N CB -0.527 37.984 38.487 0.040 0.000 1.029 163 N HN 0.626 nan 8.380 nan 0.000 0.428 164 T N -1.938 112.661 114.554 0.075 0.000 2.857 164 T HA 0.048 4.399 4.350 0.002 0.000 0.266 164 T C 2.137 176.919 174.700 0.138 0.000 1.048 164 T CA 1.274 63.403 62.100 0.048 0.000 1.139 164 T CB -0.386 68.478 68.868 -0.006 0.000 0.874 164 T HN 0.023 nan 8.240 nan 0.000 0.455 165 S N 1.139 116.990 115.700 0.251 0.000 2.383 165 S HA -0.003 4.468 4.470 0.002 0.000 0.227 165 S C 2.241 177.061 174.600 0.367 0.000 1.026 165 S CA 0.957 59.443 58.200 0.476 0.000 0.981 165 S CB -0.557 62.892 63.200 0.414 0.000 0.818 165 S HN 0.403 nan 8.310 nan 0.000 0.472 166 V N 2.297 122.330 119.914 0.197 0.000 2.287 166 V HA -0.253 3.868 4.120 0.002 0.000 0.248 166 V C 2.686 178.877 176.094 0.162 0.000 1.053 166 V CA 1.837 64.226 62.300 0.149 0.000 1.027 166 V CB -1.303 30.574 31.823 0.090 0.000 0.646 166 V HN 0.546 nan 8.190 nan 0.000 0.447 167 A N 0.008 122.897 122.820 0.116 0.000 1.877 167 A HA -0.123 4.198 4.320 0.002 0.000 0.216 167 A C 2.462 180.128 177.584 0.136 0.000 1.186 167 A CA 2.235 54.327 52.037 0.091 0.000 0.620 167 A CB -0.938 18.072 19.000 0.016 0.000 0.822 167 A HN 0.588 nan 8.150 nan 0.000 0.443 168 A N -0.478 122.398 122.820 0.092 0.000 1.883 168 A HA 0.046 4.367 4.320 0.002 0.000 0.217 168 A C 2.452 180.063 177.584 0.044 0.000 1.186 168 A CA 2.137 54.160 52.037 -0.025 0.000 0.624 168 A CB -1.513 17.345 19.000 -0.237 0.000 0.822 168 A HN 0.829 nan 8.150 nan 0.000 0.444 169 G N -2.121 106.845 108.800 0.278 0.000 2.432 169 G HA2 -0.256 3.705 3.960 0.002 0.000 0.219 169 G HA3 -0.256 3.705 3.960 0.002 0.000 0.219 169 G C 1.533 176.553 174.900 0.199 0.000 1.135 169 G CA 1.274 46.584 45.100 0.349 0.000 0.767 169 G HN 0.634 nan 8.290 nan 0.000 0.550 170 Y N 1.764 122.108 120.300 0.072 0.000 2.163 170 Y HA 0.119 4.670 4.550 0.002 0.000 0.288 170 Y C 2.883 178.788 175.900 0.010 0.000 1.136 170 Y CA 1.418 59.537 58.100 0.032 0.000 1.147 170 Y CB -0.272 38.199 38.460 0.018 0.000 0.987 170 Y HN 0.223 nan 8.280 nan 0.000 0.509 171 A N 0.880 123.759 122.820 0.099 0.000 1.972 171 A HA -0.148 4.173 4.320 0.002 0.000 0.219 171 A C 2.278 179.805 177.584 -0.094 0.000 1.169 171 A CA 1.463 53.493 52.037 -0.013 0.000 0.635 171 A CB -0.470 18.546 19.000 0.027 0.000 0.810 171 A HN 0.403 nan 8.150 nan 0.000 0.446 172 R N -0.582 119.876 120.500 -0.070 0.000 2.055 172 R HA -0.010 4.331 4.340 0.002 0.000 0.228 172 R C 2.504 178.757 176.300 -0.079 0.000 1.143 172 R CA 1.568 57.627 56.100 -0.069 0.000 0.945 172 R CB -1.045 29.234 30.300 -0.035 0.000 0.841 172 R HN 0.501 nan 8.270 nan 0.000 0.429 173 A N 0.237 123.013 122.820 -0.074 0.000 1.898 173 A HA -0.025 4.296 4.320 0.002 0.000 0.214 173 A C 2.386 179.873 177.584 -0.162 0.000 1.183 173 A CA 1.140 53.129 52.037 -0.081 0.000 0.622 173 A CB -0.268 18.713 19.000 -0.031 0.000 0.824 173 A HN 0.113 nan 8.150 nan 0.000 0.444 174 V N -0.336 119.386 119.914 -0.322 0.000 2.500 174 V HA -0.009 4.112 4.120 0.002 0.000 0.243 174 V C 2.169 178.060 176.094 -0.338 0.000 1.039 174 V CA 1.260 63.310 62.300 -0.416 0.000 1.053 174 V CB -0.480 30.850 31.823 -0.822 0.000 0.695 174 V HN 0.495 nan 8.190 nan 0.000 0.463 175 L N 0.515 121.526 121.223 -0.354 0.000 2.558 175 L HA 0.348 4.689 4.340 0.002 0.000 0.225 175 L C 1.719 178.515 176.870 -0.123 0.000 1.128 175 L CA 0.845 55.567 54.840 -0.197 0.000 0.868 175 L CB -0.438 41.535 42.059 -0.142 0.000 1.006 175 L HN 0.551 nan 8.230 nan 0.000 0.454 176 G N 0.564 109.290 108.800 -0.124 0.000 2.160 176 G HA2 -0.306 3.655 3.960 0.002 0.000 0.251 176 G HA3 -0.306 3.655 3.960 0.002 0.000 0.251 176 G C 0.288 175.141 174.900 -0.078 0.000 1.008 176 G CA -0.016 45.031 45.100 -0.088 0.000 0.724 176 G HN 0.256 nan 8.290 nan 0.000 0.514 177 M N -0.105 119.445 119.600 -0.083 0.000 2.238 177 M HA 0.279 4.760 4.480 0.002 0.000 0.347 177 M C 1.428 177.675 176.300 -0.089 0.000 1.173 177 M CA 0.333 55.585 55.300 -0.080 0.000 1.147 177 M CB 0.559 33.114 32.600 -0.076 0.000 1.547 177 M HN 0.262 nan 8.290 nan 0.000 0.455 178 E N 1.574 121.714 120.200 -0.099 0.000 2.190 178 E HA 0.057 4.408 4.350 0.002 0.000 0.191 178 E C -0.073 176.444 176.600 -0.138 0.000 0.978 178 E CA 0.737 57.070 56.400 -0.112 0.000 0.839 178 E CB 0.507 30.137 29.700 -0.117 0.000 0.787 178 E HN 0.528 nan 8.360 nan 0.000 0.473 179 R N 0.588 120.994 120.500 -0.155 0.000 2.575 179 R HA 0.507 4.848 4.340 0.002 0.000 0.293 179 R C -1.394 174.872 176.300 -0.058 0.000 0.983 179 R CA -0.485 55.521 56.100 -0.157 0.000 0.887 179 R CB 2.721 32.743 30.300 -0.463 0.000 1.184 179 R HN -0.154 nan 8.270 nan 0.000 0.445 180 V N 1.462 121.382 119.914 0.011 0.000 2.709 180 V HA 0.696 4.817 4.120 0.002 0.000 0.308 180 V C -0.655 175.429 176.094 -0.016 0.000 1.062 180 V CA -0.885 61.387 62.300 -0.045 0.000 0.901 180 V CB 2.011 33.722 31.823 -0.186 0.000 1.003 180 V HN 0.919 nan 8.190 nan 0.000 0.425 181 A N 5.164 127.966 122.820 -0.030 0.000 2.330 181 A HA 0.912 5.233 4.320 0.002 0.000 0.327 181 A C -0.799 176.687 177.584 -0.164 0.000 1.155 181 A CA -0.508 51.456 52.037 -0.122 0.000 0.803 181 A CB 0.735 19.704 19.000 -0.051 0.000 1.208 181 A HN 0.768 nan 8.150 nan 0.000 0.477 182 I N 2.947 123.408 120.570 -0.182 0.000 2.354 182 I HA 0.248 4.419 4.170 0.002 0.000 0.286 182 I C -0.739 175.310 176.117 -0.113 0.000 1.007 182 I CA -0.561 60.649 61.300 -0.151 0.000 1.167 182 I CB 1.486 39.421 38.000 -0.108 0.000 1.320 182 I HN 0.546 nan 8.210 nan 0.000 0.458 183 L N 6.951 128.082 121.223 -0.154 0.000 2.257 183 L HA 0.473 4.814 4.340 0.002 0.000 0.290 183 L C -0.615 176.155 176.870 -0.167 0.000 1.044 183 L CA 0.207 54.983 54.840 -0.106 0.000 0.810 183 L CB 0.879 42.881 42.059 -0.094 0.000 1.193 183 L HN 0.454 nan 8.230 nan 0.000 0.425 184 D N 4.506 124.896 120.400 -0.016 0.000 2.441 184 D HA 0.221 4.862 4.640 0.002 0.000 0.231 184 D C -0.284 176.130 176.300 0.190 0.000 1.073 184 D CA -0.521 53.473 54.000 -0.010 0.000 0.850 184 D CB 0.673 41.535 40.800 0.103 0.000 1.062 184 D HN 0.585 nan 8.370 nan 0.000 0.524 185 W N 3.471 124.850 121.300 0.133 0.000 2.991 185 W HA 0.362 5.023 4.660 0.001 0.000 0.391 185 W C 0.054 176.685 176.519 0.187 0.000 1.054 185 W CA -0.945 56.532 57.345 0.220 0.000 1.856 185 W CB -0.820 28.800 29.460 0.267 0.000 1.132 185 W HN 0.159 nan 8.180 nan 0.000 0.601 186 D N 1.624 122.203 120.400 0.298 0.000 2.506 186 D HA -0.150 4.490 4.640 0.002 0.000 0.234 186 D C 1.312 177.818 176.300 0.343 0.000 1.143 186 D CA 0.488 54.613 54.000 0.209 0.000 0.871 186 D CB 2.134 42.871 40.800 -0.106 0.000 1.190 186 D HN 0.065 nan 8.370 nan 0.000 0.459 187 V N 4.159 124.221 119.914 0.248 0.000 2.913 187 V HA -0.162 3.959 4.120 0.002 0.000 0.260 187 V C 0.393 176.572 176.094 0.142 0.000 1.098 187 V CA 1.473 63.879 62.300 0.176 0.000 1.121 187 V CB -0.586 31.241 31.823 0.006 0.000 0.714 187 V HN 0.513 nan 8.190 nan 0.000 0.487 188 H N -1.055 118.323 119.070 0.514 0.000 2.488 188 H HA 0.414 4.971 4.556 0.002 0.000 0.347 188 H C -0.052 175.550 175.328 0.457 0.000 1.174 188 H CA -0.471 55.889 56.048 0.520 0.000 1.307 188 H CB 0.569 30.717 29.762 0.644 0.000 1.517 188 H HN 0.372 nan 8.280 nan 0.000 0.554 189 H N 0.729 119.914 119.070 0.192 0.000 2.929 189 H HA 0.122 4.679 4.556 0.001 0.000 0.317 189 H C 0.666 175.924 175.328 -0.117 0.000 1.031 189 H CA -0.461 55.435 56.048 -0.253 0.000 1.466 189 H CB 0.496 29.877 29.762 -0.634 0.000 1.482 189 H HN 0.849 nan 8.280 nan 0.000 0.561 190 G N 5.135 113.723 108.800 -0.354 0.000 3.197 190 G HA2 -0.115 3.846 3.960 0.002 0.000 0.257 190 G HA3 -0.115 3.846 3.960 0.002 0.000 0.257 190 G C 1.044 175.535 174.900 -0.680 0.000 0.835 190 G CA -0.059 44.781 45.100 -0.435 0.000 2.001 190 G HN 0.908 nan 8.290 nan 0.000 0.625 191 N N 0.969 119.125 118.700 -0.906 0.000 2.223 191 N HA -0.125 4.616 4.740 0.002 0.000 0.185 191 N C 2.034 177.394 175.510 -0.250 0.000 1.016 191 N CA 1.430 54.104 53.050 -0.627 0.000 0.863 191 N CB -0.418 37.858 38.487 -0.351 0.000 0.983 191 N HN 0.289 nan 8.380 nan 0.000 0.429 192 G N 0.621 109.315 108.800 -0.176 0.000 2.404 192 G HA2 -0.188 3.773 3.960 0.002 0.000 0.215 192 G HA3 -0.188 3.773 3.960 0.002 0.000 0.215 192 G C 1.521 176.408 174.900 -0.023 0.000 1.174 192 G CA 1.442 46.504 45.100 -0.064 0.000 0.780 192 G HN 0.405 nan 8.290 nan 0.000 0.537 193 T N 0.489 115.057 114.554 0.023 0.000 2.746 193 T HA -0.160 4.191 4.350 0.002 0.000 0.267 193 T C 2.268 177.096 174.700 0.212 0.000 1.039 193 T CA 1.586 63.779 62.100 0.156 0.000 1.142 193 T CB -0.264 68.724 68.868 0.200 0.000 0.866 193 T HN 0.454 nan 8.240 nan 0.000 0.444 194 Q N 0.975 120.864 119.800 0.148 0.000 2.061 194 Q HA -0.234 4.107 4.340 0.002 0.000 0.204 194 Q C 2.090 178.256 176.000 0.277 0.000 0.984 194 Q CA 2.186 58.152 55.803 0.271 0.000 0.846 194 Q CB -0.290 28.606 28.738 0.263 0.000 0.902 194 Q HN 0.553 nan 8.270 nan 0.000 0.421 195 D N -0.232 120.201 120.400 0.056 0.000 2.104 195 D HA -0.171 4.470 4.640 0.002 0.000 0.194 195 D C 1.823 178.106 176.300 -0.028 0.000 0.994 195 D CA 1.652 55.626 54.000 -0.043 0.000 0.830 195 D CB -0.148 40.581 40.800 -0.118 0.000 0.959 195 D HN 0.416 nan 8.370 nan 0.000 0.452 196 I N -0.902 119.576 120.570 -0.154 0.000 2.226 196 I HA -0.172 3.999 4.170 0.002 0.000 0.245 196 I C 1.125 176.902 176.117 -0.566 0.000 1.100 196 I CA 0.965 61.968 61.300 -0.496 0.000 1.374 196 I CB -0.173 37.335 38.000 -0.820 0.000 1.057 196 I HN 0.225 nan 8.210 nan 0.000 0.413 197 W N -0.744 120.613 121.300 0.095 0.000 3.123 197 W HA 0.097 4.758 4.660 0.002 0.000 0.383 197 W C 1.934 178.541 176.519 0.148 0.000 1.102 197 W CA -0.753 56.642 57.345 0.083 0.000 1.865 197 W CB -0.332 29.157 29.460 0.049 0.000 1.111 197 W HN 0.176 nan 8.180 nan 0.000 0.621 198 W N 1.988 123.352 121.300 0.108 0.000 2.304 198 W HA -0.286 4.376 4.660 0.002 0.000 0.315 198 W C 0.836 177.419 176.519 0.108 0.000 1.233 198 W CA 1.696 59.097 57.345 0.094 0.000 1.261 198 W CB -0.189 29.294 29.460 0.037 0.000 1.150 198 W HN -0.108 nan 8.180 nan 0.000 0.494 199 N N 0.263 119.065 118.700 0.170 0.000 2.270 199 N HA -0.025 4.716 4.740 0.002 0.000 0.198 199 N C -0.895 174.655 175.510 0.065 0.000 1.117 199 N CA 0.612 53.697 53.050 0.059 0.000 0.845 199 N CB -0.036 38.515 38.487 0.108 0.000 0.980 199 N HN 0.019 nan 8.380 nan 0.000 0.486 200 D N 1.011 121.484 120.400 0.121 0.000 2.453 200 D HA 0.204 4.845 4.640 0.002 0.000 0.238 200 D C -1.846 174.483 176.300 0.047 0.000 1.088 200 D CA -2.009 52.069 54.000 0.131 0.000 0.854 200 D CB 2.151 43.134 40.800 0.305 0.000 1.076 200 D HN -0.030 nan 8.370 nan 0.000 0.533 201 P HA -0.046 nan 4.420 nan 0.000 0.237 201 P C 0.885 178.012 177.300 -0.288 0.000 1.178 201 P CA 0.364 63.205 63.100 -0.430 0.000 0.766 201 P CB 0.207 31.531 31.700 -0.627 0.000 0.876 202 S N -1.512 114.118 115.700 -0.117 0.000 2.562 202 S HA 0.096 4.567 4.470 0.002 0.000 0.221 202 S C 0.692 175.246 174.600 -0.076 0.000 0.975 202 S CA -0.093 58.062 58.200 -0.074 0.000 0.918 202 S CB -0.555 62.598 63.200 -0.077 0.000 0.772 202 S HN -0.081 nan 8.310 nan 0.000 0.531 203 V N 2.745 122.557 119.914 -0.171 0.000 2.380 203 V HA 0.462 4.583 4.120 0.002 0.000 0.286 203 V C -0.651 175.264 176.094 -0.297 0.000 1.015 203 V CA -0.862 61.199 62.300 -0.398 0.000 0.834 203 V CB 1.319 32.441 31.823 -1.168 0.000 1.009 203 V HN 0.467 nan 8.190 nan 0.000 0.428 204 L N 6.220 127.163 121.223 -0.466 0.000 2.313 204 L HA 0.619 4.960 4.340 0.002 0.000 0.282 204 L C 0.595 177.294 176.870 -0.286 0.000 1.092 204 L CA 0.758 55.272 54.840 -0.544 0.000 0.831 204 L CB 1.193 42.532 42.059 -1.201 0.000 1.159 204 L HN 0.834 nan 8.230 nan 0.000 0.442 205 T N 3.929 118.413 114.554 -0.116 0.000 2.770 205 T HA 0.691 5.042 4.350 0.002 0.000 0.283 205 T C -0.224 174.493 174.700 0.028 0.000 0.988 205 T CA -0.493 61.603 62.100 -0.006 0.000 0.957 205 T CB 0.567 69.520 68.868 0.142 0.000 0.930 205 T HN 0.461 nan 8.240 nan 0.000 0.443 206 I N 2.542 123.133 120.570 0.034 0.000 2.436 206 I HA 0.521 4.692 4.170 0.002 0.000 0.289 206 I C 0.013 176.223 176.117 0.155 0.000 1.010 206 I CA -0.812 60.533 61.300 0.075 0.000 1.098 206 I CB 2.183 40.204 38.000 0.035 0.000 1.266 206 I HN 0.661 nan 8.210 nan 0.000 0.434 207 S N 7.107 122.956 115.700 0.248 0.000 2.552 207 S HA 0.644 5.115 4.470 0.002 0.000 0.314 207 S C -0.751 174.054 174.600 0.341 0.000 1.099 207 S CA -0.619 57.813 58.200 0.386 0.000 1.070 207 S CB 0.705 64.262 63.200 0.595 0.000 0.998 207 S HN 0.436 nan 8.310 nan 0.000 0.474 208 L N 7.265 128.674 121.223 0.311 0.000 2.292 208 L HA 0.644 4.985 4.340 0.002 0.000 0.284 208 L C 0.099 177.146 176.870 0.295 0.000 1.065 208 L CA -0.640 54.295 54.840 0.158 0.000 0.806 208 L CB 0.711 42.914 42.059 0.241 0.000 1.175 208 L HN 0.752 nan 8.230 nan 0.000 0.431 209 H N 1.530 120.717 119.070 0.196 0.000 3.068 209 H HA 0.170 4.727 4.556 0.002 0.000 0.342 209 H C -1.500 173.928 175.328 0.167 0.000 1.284 209 H CA -0.987 55.203 56.048 0.237 0.000 1.181 209 H CB 1.575 31.507 29.762 0.283 0.000 1.898 209 H HN 0.578 nan 8.280 nan 0.000 0.540 210 Q N 1.820 121.802 119.800 0.303 0.000 2.289 210 Q HA -0.022 4.319 4.340 0.002 0.000 0.273 210 Q C -0.527 175.644 176.000 0.285 0.000 1.029 210 Q CA -0.190 55.750 55.803 0.229 0.000 0.896 210 Q CB 0.300 29.159 28.738 0.202 0.000 1.182 210 Q HN 0.593 nan 8.270 nan 0.000 0.385 211 H N 5.586 124.713 119.070 0.096 0.000 3.107 211 H HA -0.045 4.512 4.556 0.002 0.000 0.301 211 H C 0.318 175.660 175.328 0.023 0.000 0.981 211 H CA 1.136 57.211 56.048 0.044 0.000 1.443 211 H CB -0.170 29.568 29.762 -0.040 0.000 1.479 211 H HN 0.808 nan 8.280 nan 0.000 0.564 212 L N 3.237 124.260 121.223 -0.333 0.000 3.865 212 L HA -0.394 3.947 4.340 0.002 0.000 0.408 212 L C 1.771 178.608 176.870 -0.056 0.000 1.209 212 L CA 0.634 55.279 54.840 -0.325 0.000 0.940 212 L CB -2.247 39.504 42.059 -0.512 0.000 1.971 212 L HN 0.664 nan 8.230 nan 0.000 0.899 213 C N -0.156 119.205 119.300 0.102 0.000 2.587 213 C HA 0.192 4.653 4.460 0.002 0.000 0.282 213 C C 0.877 176.069 174.990 0.338 0.000 1.277 213 C CA 1.178 60.343 59.018 0.244 0.000 1.702 213 C CB 0.129 28.078 27.740 0.348 0.000 2.113 213 C HN 0.507 nan 8.230 nan 0.000 0.490 214 F N 0.975 121.042 119.950 0.195 0.000 2.654 214 F HA 0.561 5.089 4.527 0.002 0.000 0.314 214 F C -2.728 173.080 175.800 0.013 0.000 1.116 214 F CA -1.969 56.030 58.000 -0.003 0.000 1.017 214 F CB 1.058 39.940 39.000 -0.196 0.000 1.285 214 F HN 0.000 nan 8.300 nan 0.000 0.448 215 P HA 0.293 nan 4.420 nan 0.000 0.274 215 P C -2.755 174.229 177.300 -0.527 0.000 1.256 215 P CA -1.236 61.059 63.100 -1.342 0.000 0.795 215 P CB -0.022 31.024 31.700 -1.090 0.000 1.038 216 P HA 0.006 nan 4.420 nan 0.000 0.272 216 P C -0.117 177.085 177.300 -0.162 0.000 1.223 216 P CA 0.486 63.472 63.100 -0.189 0.000 0.784 216 P CB -0.028 31.604 31.700 -0.114 0.000 0.923 217 D N -0.934 119.406 120.400 -0.101 0.000 2.723 217 D HA -0.162 4.479 4.640 0.002 0.000 0.236 217 D C -0.912 175.418 176.300 0.050 0.000 1.138 217 D CA 1.229 55.251 54.000 0.037 0.000 0.676 217 D CB -1.397 39.425 40.800 0.036 0.000 1.069 217 D HN 0.357 nan 8.370 nan 0.000 0.430 218 S N -1.372 114.267 115.700 -0.102 0.000 2.537 218 S HA 0.617 5.088 4.470 0.002 0.000 0.270 218 S C 0.647 175.025 174.600 -0.370 0.000 1.142 218 S CA 0.605 58.752 58.200 -0.089 0.000 0.870 218 S CB 1.576 64.754 63.200 -0.036 0.000 1.112 218 S HN 1.085 nan 8.310 nan 0.000 0.466 219 G N 1.851 110.286 108.800 -0.609 0.000 2.131 219 G HA2 -0.212 3.749 3.960 0.002 0.000 0.223 219 G HA3 -0.212 3.749 3.960 0.002 0.000 0.223 219 G C -0.258 174.559 174.900 -0.138 0.000 0.990 219 G CA 0.076 44.548 45.100 -1.046 0.000 0.671 219 G HN 0.686 nan 8.290 nan 0.000 0.521 220 Y N 1.376 121.689 120.300 0.022 0.000 2.578 220 Y HA 0.253 4.804 4.550 0.001 0.000 0.339 220 Y C 2.173 178.114 175.900 0.068 0.000 1.231 220 Y CA 0.801 58.967 58.100 0.110 0.000 1.461 220 Y CB 0.810 39.333 38.460 0.104 0.000 1.323 220 Y HN 0.307 nan 8.280 nan 0.000 0.590 221 S N -1.322 114.493 115.700 0.192 0.000 2.507 221 S HA -0.173 4.298 4.470 0.002 0.000 0.235 221 S C 1.566 176.231 174.600 0.109 0.000 0.988 221 S CA 1.108 59.371 58.200 0.104 0.000 0.944 221 S CB -0.935 62.285 63.200 0.032 0.000 0.762 221 S HN 0.867 nan 8.310 nan 0.000 0.526 222 T N -0.462 114.183 114.554 0.151 0.000 3.113 222 T HA 0.093 4.444 4.350 0.002 0.000 0.263 222 T C 0.321 175.124 174.700 0.171 0.000 1.143 222 T CA 0.170 62.343 62.100 0.122 0.000 1.090 222 T CB -0.551 68.369 68.868 0.086 0.000 0.922 222 T HN 0.543 nan 8.240 nan 0.000 0.521 223 E N 1.439 121.781 120.200 0.237 0.000 1.941 223 E HA 0.299 4.650 4.350 0.002 0.000 0.275 223 E C 0.546 177.293 176.600 0.245 0.000 1.113 223 E CA -0.266 56.374 56.400 0.401 0.000 0.878 223 E CB 0.533 30.497 29.700 0.440 0.000 1.070 223 E HN 0.416 nan 8.360 nan 0.000 0.399 224 R N 2.190 122.683 120.500 -0.012 0.000 2.509 224 R HA 0.233 4.574 4.340 0.002 0.000 0.297 224 R C 0.528 176.441 176.300 -0.645 0.000 0.951 224 R CA 0.019 55.931 56.100 -0.314 0.000 1.103 224 R CB 1.210 31.262 30.300 -0.414 0.000 1.283 224 R HN 0.641 nan 8.270 nan 0.000 0.534 225 G N 0.973 109.007 108.800 -1.277 0.000 2.631 225 G HA2 0.071 4.031 3.960 0.002 0.000 0.504 225 G HA3 0.071 4.031 3.960 0.002 0.000 0.504 225 G C -1.129 173.069 174.900 -1.171 0.000 1.306 225 G CA -0.539 43.485 45.100 -1.793 0.000 0.897 225 G HN 0.361 nan 8.290 nan 0.000 0.520 226 A N -1.174 121.118 122.820 -0.881 0.000 2.527 226 A HA 1.182 5.503 4.320 0.002 0.000 0.293 226 A C 1.422 178.959 177.584 -0.079 0.000 1.117 226 A CA 1.313 53.202 52.037 -0.247 0.000 0.723 226 A CB 1.033 20.029 19.000 -0.008 0.000 1.313 226 A HN 3.024 nan 8.150 nan 0.000 0.411 227 G N 1.172 109.973 108.800 0.002 0.000 2.651 227 G HA2 -0.406 3.555 3.960 0.002 0.000 0.315 227 G HA3 -0.406 3.555 3.960 0.002 0.000 0.315 227 G C 0.788 175.720 174.900 0.052 0.000 1.258 227 G CA 1.197 46.310 45.100 0.023 0.000 1.002 227 G HN 1.069 nan 8.290 nan 0.000 0.551 228 N N 1.246 119.975 118.700 0.048 0.000 2.309 228 N HA 0.098 4.839 4.740 0.002 0.000 0.182 228 N C 2.182 177.756 175.510 0.107 0.000 1.018 228 N CA 1.029 54.117 53.050 0.064 0.000 0.876 228 N CB -0.218 38.283 38.487 0.024 0.000 0.972 228 N HN 0.703 nan 8.380 nan 0.000 0.434 229 G N -0.535 108.309 108.800 0.073 0.000 2.920 229 G HA2 -0.139 3.822 3.960 0.002 0.000 0.208 229 G HA3 -0.139 3.822 3.960 0.002 0.000 0.208 229 G C 0.068 175.025 174.900 0.095 0.000 1.159 229 G CA -0.124 45.033 45.100 0.094 0.000 0.784 229 G HN 0.372 nan 8.290 nan 0.000 0.535 230 H N -0.160 118.893 119.070 -0.029 0.000 3.004 230 H HA 0.380 4.937 4.556 0.002 0.000 0.316 230 H C 1.468 176.713 175.328 -0.139 0.000 1.014 230 H CA 1.167 57.138 56.048 -0.129 0.000 1.454 230 H CB 0.451 30.145 29.762 -0.113 0.000 1.472 230 H HN 0.184 nan 8.280 nan 0.000 0.571 231 G N 3.607 111.933 108.800 -0.791 0.000 2.175 231 G HA2 -0.292 3.669 3.960 0.002 0.000 0.244 231 G HA3 -0.292 3.669 3.960 0.002 0.000 0.244 231 G C 0.122 174.503 174.900 -0.866 0.000 0.982 231 G CA 0.396 45.037 45.100 -0.765 0.000 0.641 231 G HN 0.637 nan 8.290 nan 0.000 0.527 232 Y N 0.809 120.968 120.300 -0.236 0.000 2.660 232 Y HA 0.417 4.967 4.550 0.001 0.000 0.254 232 Y C 0.841 176.630 175.900 -0.185 0.000 1.176 232 Y CA -0.482 57.498 58.100 -0.201 0.000 1.195 232 Y CB 0.593 38.971 38.460 -0.137 0.000 1.190 232 Y HN 0.293 nan 8.280 nan 0.000 0.535 233 N N 1.181 119.810 118.700 -0.120 0.000 2.410 233 N HA 0.432 5.173 4.740 0.002 0.000 0.287 233 N C -1.693 173.794 175.510 -0.040 0.000 1.044 233 N CA -0.258 52.778 53.050 -0.022 0.000 0.881 233 N CB 1.273 39.799 38.487 0.064 0.000 1.405 233 N HN 0.107 nan 8.380 nan 0.000 0.490 234 I N 2.522 123.099 120.570 0.012 0.000 2.411 234 I HA 0.283 4.454 4.170 0.002 0.000 0.284 234 I C -0.465 175.713 176.117 0.101 0.000 1.012 234 I CA -0.624 60.684 61.300 0.013 0.000 1.119 234 I CB 1.468 39.447 38.000 -0.035 0.000 1.261 234 I HN 0.364 nan 8.210 nan 0.000 0.448 235 N N 4.979 123.752 118.700 0.122 0.000 2.438 235 N HA 0.477 5.218 4.740 0.002 0.000 0.282 235 N C -0.896 174.618 175.510 0.006 0.000 1.037 235 N CA -0.578 52.581 53.050 0.181 0.000 0.942 235 N CB 2.245 40.875 38.487 0.238 0.000 1.136 235 N HN 0.220 nan 8.380 nan 0.000 0.481 236 V N 3.640 123.475 119.914 -0.131 0.000 2.235 236 V HA 0.287 4.408 4.120 0.002 0.000 0.266 236 V C -2.191 173.618 176.094 -0.474 0.000 1.055 236 V CA -1.578 60.588 62.300 -0.223 0.000 0.844 236 V CB 0.299 32.033 31.823 -0.149 0.000 1.097 236 V HN 0.602 nan 8.190 nan 0.000 0.453 237 P HA 0.305 nan 4.420 nan 0.000 0.276 237 P C -0.650 176.502 177.300 -0.246 0.000 1.243 237 P CA 0.127 62.992 63.100 -0.391 0.000 0.768 237 P CB 1.382 33.002 31.700 -0.135 0.000 0.856 238 L N 5.727 126.848 121.223 -0.170 0.000 2.330 238 L HA 0.534 4.875 4.340 0.002 0.000 0.271 238 L C -2.103 174.757 176.870 -0.017 0.000 1.013 238 L CA -2.812 51.949 54.840 -0.133 0.000 0.816 238 L CB 2.298 44.219 42.059 -0.230 0.000 1.287 238 L HN 0.175 nan 8.230 nan 0.000 0.435 239 P HA 0.203 nan 4.420 nan 0.000 0.275 239 P C -2.629 174.706 177.300 0.059 0.000 1.228 239 P CA -1.652 61.469 63.100 0.035 0.000 0.786 239 P CB -0.078 31.629 31.700 0.012 0.000 0.927 240 P HA -0.047 nan 4.420 nan 0.000 0.264 240 P C 1.160 178.498 177.300 0.065 0.000 1.173 240 P CA 1.715 64.865 63.100 0.083 0.000 0.761 240 P CB -0.204 31.542 31.700 0.076 0.000 0.794 241 G N 1.284 110.126 108.800 0.071 0.000 2.199 241 G HA2 -0.253 3.708 3.960 0.002 0.000 0.254 241 G HA3 -0.253 3.708 3.960 0.002 0.000 0.254 241 G C 0.334 175.266 174.900 0.054 0.000 0.982 241 G CA 0.057 45.188 45.100 0.050 0.000 0.632 241 G HN 0.593 nan 8.290 nan 0.000 0.529 242 S N 1.069 116.816 115.700 0.079 0.000 2.525 242 S HA 0.511 4.982 4.470 0.002 0.000 0.285 242 S C 1.038 175.738 174.600 0.166 0.000 1.283 242 S CA 0.509 58.767 58.200 0.095 0.000 1.072 242 S CB 1.298 64.536 63.200 0.064 0.000 0.867 242 S HN 1.221 nan 8.310 nan 0.000 0.492 243 G N 2.219 111.091 108.800 0.120 0.000 3.122 243 G HA2 0.252 4.213 3.960 0.002 0.000 0.180 243 G HA3 0.252 4.213 3.960 0.002 0.000 0.180 243 G C 0.610 175.569 174.900 0.098 0.000 1.279 243 G CA -0.557 44.588 45.100 0.076 0.000 0.987 243 G HN 0.536 nan 8.290 nan 0.000 0.589 244 N N 0.336 119.033 118.700 -0.006 0.000 2.104 244 N HA -0.145 4.596 4.740 0.002 0.000 0.190 244 N C 2.349 177.882 175.510 0.039 0.000 1.024 244 N CA 1.519 54.555 53.050 -0.022 0.000 0.853 244 N CB -0.540 37.919 38.487 -0.048 0.000 1.008 244 N HN 0.463 nan 8.380 nan 0.000 0.424 245 A N 0.928 123.766 122.820 0.030 0.000 1.877 245 A HA 0.018 4.339 4.320 0.002 0.000 0.216 245 A C 2.387 180.001 177.584 0.049 0.000 1.186 245 A CA 2.080 54.133 52.037 0.026 0.000 0.620 245 A CB -0.952 18.043 19.000 -0.009 0.000 0.822 245 A HN 0.326 nan 8.150 nan 0.000 0.443 246 A N -1.552 121.291 122.820 0.039 0.000 1.877 246 A HA -0.078 4.243 4.320 0.002 0.000 0.216 246 A C 2.109 179.683 177.584 -0.016 0.000 1.186 246 A CA 1.577 53.615 52.037 0.000 0.000 0.620 246 A CB -0.875 18.096 19.000 -0.047 0.000 0.822 246 A HN 0.571 nan 8.150 nan 0.000 0.443 247 Y N 0.024 120.307 120.300 -0.028 0.000 2.165 247 Y HA -0.150 4.401 4.550 0.001 0.000 0.286 247 Y C 2.218 178.100 175.900 -0.030 0.000 1.155 247 Y CA 1.747 59.816 58.100 -0.051 0.000 1.164 247 Y CB -0.259 38.112 38.460 -0.148 0.000 0.978 247 Y HN 0.189 nan 8.280 nan 0.000 0.513 248 L N -1.683 119.611 121.223 0.118 0.000 2.179 248 L HA -0.189 4.152 4.340 0.002 0.000 0.208 248 L C 2.247 179.166 176.870 0.081 0.000 1.096 248 L CA 1.190 56.076 54.840 0.077 0.000 0.779 248 L CB -0.510 41.582 42.059 0.056 0.000 0.922 248 L HN 0.253 nan 8.230 nan 0.000 0.443 249 H N 0.291 119.358 119.070 -0.005 0.000 2.321 249 H HA -0.133 4.424 4.556 0.002 0.000 0.300 249 H C 2.184 177.496 175.328 -0.027 0.000 1.087 249 H CA 1.585 57.622 56.048 -0.018 0.000 1.319 249 H CB 0.107 29.850 29.762 -0.031 0.000 1.379 249 H HN 0.269 nan 8.280 nan 0.000 0.501 250 A N 0.698 123.515 122.820 -0.005 0.000 1.883 250 A HA -0.220 4.101 4.320 0.002 0.000 0.217 250 A C 2.344 179.903 177.584 -0.041 0.000 1.186 250 A CA 1.988 53.984 52.037 -0.068 0.000 0.624 250 A CB -0.558 18.374 19.000 -0.114 0.000 0.822 250 A HN 0.404 nan 8.150 nan 0.000 0.444 251 M N -0.057 119.551 119.600 0.013 0.000 2.073 251 M HA -0.161 4.320 4.480 0.002 0.000 0.258 251 M C 1.441 177.740 176.300 -0.000 0.000 1.070 251 M CA 1.754 57.081 55.300 0.046 0.000 1.103 251 M CB -1.550 31.097 32.600 0.078 0.000 1.321 251 M HN 0.361 nan 8.290 nan 0.000 0.405 252 D N -0.632 119.741 120.400 -0.044 0.000 2.213 252 D HA -0.072 4.569 4.640 0.002 0.000 0.205 252 D C 2.239 178.468 176.300 -0.119 0.000 0.961 252 D CA 0.773 54.736 54.000 -0.062 0.000 0.853 252 D CB -0.042 40.724 40.800 -0.056 0.000 0.967 252 D HN 0.343 nan 8.370 nan 0.000 0.496 253 Q N -0.198 119.471 119.800 -0.217 0.000 2.302 253 Q HA 0.082 4.423 4.340 0.002 0.000 0.202 253 Q C 1.892 177.817 176.000 -0.125 0.000 0.936 253 Q CA 0.436 56.103 55.803 -0.227 0.000 0.886 253 Q CB 0.934 29.425 28.738 -0.412 0.000 0.986 253 Q HN 0.205 nan 8.270 nan 0.000 0.487 254 V N -1.250 118.608 119.914 -0.094 0.000 3.054 254 V HA 0.002 4.123 4.120 0.002 0.000 0.227 254 V C 2.065 178.145 176.094 -0.023 0.000 1.252 254 V CA 0.388 62.654 62.300 -0.056 0.000 1.279 254 V CB -0.064 31.725 31.823 -0.057 0.000 1.118 254 V HN -0.093 nan 8.190 nan 0.000 0.504 255 V N 0.810 120.725 119.914 0.001 0.000 2.237 255 V HA -0.233 3.888 4.120 0.002 0.000 0.245 255 V C 2.339 178.456 176.094 0.038 0.000 1.046 255 V CA 2.381 64.702 62.300 0.035 0.000 1.007 255 V CB -0.550 31.325 31.823 0.088 0.000 0.638 255 V HN 0.409 nan 8.190 nan 0.000 0.445 256 L N -0.321 120.926 121.223 0.041 0.000 2.056 256 L HA -0.094 4.247 4.340 0.002 0.000 0.207 256 L C 0.029 176.918 176.870 0.031 0.000 1.078 256 L CA 1.559 56.426 54.840 0.044 0.000 0.749 256 L CB -1.926 40.160 42.059 0.046 0.000 0.901 256 L HN 0.349 nan 8.230 nan 0.000 0.433 257 P HA -0.190 nan 4.420 nan 0.000 0.216 257 P C 1.486 178.798 177.300 0.021 0.000 1.150 257 P CA 1.819 64.925 63.100 0.010 0.000 0.837 257 P CB -0.001 31.693 31.700 -0.011 0.000 0.786 258 A N -0.595 122.234 122.820 0.015 0.000 1.877 258 A HA -0.162 4.159 4.320 0.002 0.000 0.216 258 A C 2.224 179.848 177.584 0.067 0.000 1.186 258 A CA 1.445 53.492 52.037 0.018 0.000 0.620 258 A CB -1.629 17.362 19.000 -0.016 0.000 0.822 258 A HN 0.101 nan 8.150 nan 0.000 0.443 259 L N -1.108 120.154 121.223 0.065 0.000 2.017 259 L HA -0.197 4.144 4.340 0.002 0.000 0.208 259 L C 2.890 179.829 176.870 0.114 0.000 1.073 259 L CA 1.554 56.455 54.840 0.102 0.000 0.745 259 L CB -0.535 41.566 42.059 0.070 0.000 0.894 259 L HN 0.356 nan 8.230 nan 0.000 0.432 260 R N -0.073 120.471 120.500 0.074 0.000 2.096 260 R HA -0.124 4.217 4.340 0.002 0.000 0.235 260 R C 2.418 178.755 176.300 0.063 0.000 1.127 260 R CA 1.302 57.436 56.100 0.057 0.000 0.968 260 R CB -0.451 29.872 30.300 0.039 0.000 0.861 260 R HN 0.361 nan 8.270 nan 0.000 0.440 261 A N 0.166 123.034 122.820 0.080 0.000 1.930 261 A HA -0.192 4.129 4.320 0.002 0.000 0.217 261 A C 1.912 179.578 177.584 0.136 0.000 1.175 261 A CA 1.024 53.112 52.037 0.086 0.000 0.627 261 A CB -0.522 18.522 19.000 0.073 0.000 0.815 261 A HN 0.419 nan 8.150 nan 0.000 0.443 262 Y N -0.329 119.991 120.300 0.032 0.000 2.337 262 Y HA 0.056 4.607 4.550 0.002 0.000 0.293 262 Y C 0.421 176.332 175.900 0.018 0.000 1.123 262 Y CA 0.898 59.030 58.100 0.053 0.000 1.201 262 Y CB 0.270 38.765 38.460 0.060 0.000 1.011 262 Y HN 0.338 nan 8.280 nan 0.000 0.545 263 R N 0.174 120.672 120.500 -0.003 0.000 3.146 263 R HA -0.147 4.194 4.340 0.002 0.000 0.250 263 R C -2.818 173.369 176.300 -0.189 0.000 0.912 263 R CA 0.615 56.660 56.100 -0.091 0.000 0.633 263 R CB -2.464 27.767 30.300 -0.115 0.000 1.180 263 R HN 0.338 nan 8.270 nan 0.000 0.464 264 P HA 0.068 nan 4.420 nan 0.000 0.274 264 P C 0.284 177.553 177.300 -0.052 0.000 1.231 264 P CA -0.146 62.941 63.100 -0.023 0.000 0.790 264 P CB 0.672 32.464 31.700 0.153 0.000 0.951 265 Q N 0.107 119.866 119.800 -0.068 0.000 2.389 265 Q HA 0.180 4.521 4.340 0.002 0.000 0.204 265 Q C 0.180 176.158 176.000 -0.037 0.000 0.944 265 Q CA 0.906 56.676 55.803 -0.055 0.000 0.908 265 Q CB -0.143 28.557 28.738 -0.064 0.000 1.002 265 Q HN 0.310 nan 8.270 nan 0.000 0.493 266 L N -0.472 120.730 121.223 -0.035 0.000 2.526 266 L HA 0.483 4.824 4.340 0.002 0.000 0.263 266 L C -1.815 175.024 176.870 -0.052 0.000 0.943 266 L CA -0.529 54.287 54.840 -0.041 0.000 0.859 266 L CB 1.668 43.700 42.059 -0.044 0.000 1.313 266 L HN -0.080 nan 8.230 nan 0.000 0.406 267 I N 5.802 126.328 120.570 -0.074 0.000 2.362 267 I HA 0.457 4.628 4.170 0.002 0.000 0.289 267 I C -0.561 175.438 176.117 -0.196 0.000 0.994 267 I CA -0.386 60.844 61.300 -0.118 0.000 1.158 267 I CB 1.524 39.459 38.000 -0.108 0.000 1.315 267 I HN 0.475 nan 8.210 nan 0.000 0.451 268 I N 6.787 127.226 120.570 -0.219 0.000 2.354 268 I HA 0.328 4.499 4.170 0.002 0.000 0.292 268 I C -0.443 175.444 176.117 -0.384 0.000 0.989 268 I CA -0.832 60.302 61.300 -0.276 0.000 1.188 268 I CB 1.822 39.709 38.000 -0.188 0.000 1.342 268 I HN 0.183 nan 8.210 nan 0.000 0.457 269 V N 5.262 124.821 119.914 -0.590 0.000 2.350 269 V HA 0.348 4.468 4.120 0.002 0.000 0.276 269 V C 0.805 176.544 176.094 -0.592 0.000 1.028 269 V CA -0.642 61.210 62.300 -0.747 0.000 0.860 269 V CB 1.305 32.360 31.823 -1.280 0.000 0.990 269 V HN 0.922 nan 8.190 nan 0.000 0.453 270 G N 2.728 111.238 108.800 -0.483 0.000 2.605 270 G HA2 0.228 4.189 3.960 0.002 0.000 0.301 270 G HA3 0.228 4.189 3.960 0.002 0.000 0.301 270 G C 0.325 174.884 174.900 -0.569 0.000 0.881 270 G CA -0.017 44.845 45.100 -0.397 0.000 1.553 270 G HN 0.653 nan 8.290 nan 0.000 0.483 271 S N 2.353 117.734 115.700 -0.532 0.000 2.835 271 S HA 0.568 5.039 4.470 0.002 0.000 0.286 271 S C 0.904 175.193 174.600 -0.518 0.000 1.194 271 S CA -0.317 57.542 58.200 -0.569 0.000 1.031 271 S CB -0.210 62.907 63.200 -0.138 0.000 1.216 271 S HN 0.736 nan 8.310 nan 0.000 0.502 272 G N 2.103 110.646 108.800 -0.428 0.000 2.462 272 G HA2 0.602 4.563 3.960 0.002 0.000 0.319 272 G HA3 0.602 4.563 3.960 0.002 0.000 0.319 272 G C -0.390 174.141 174.900 -0.616 0.000 1.171 272 G CA -0.683 44.176 45.100 -0.403 0.000 0.920 272 G HN 0.687 nan 8.290 nan 0.000 0.499 273 F N -0.413 119.510 119.950 -0.046 0.000 2.764 273 F HA 0.169 4.697 4.527 0.001 0.000 0.310 273 F C 1.132 176.956 175.800 0.039 0.000 1.124 273 F CA -0.575 57.240 58.000 -0.309 0.000 1.252 273 F CB 1.022 39.644 39.000 -0.630 0.000 1.010 273 F HN 0.434 nan 8.300 nan 0.000 0.518 274 D N 0.227 120.780 120.400 0.254 0.000 2.363 274 D HA -0.043 4.598 4.640 0.002 0.000 0.220 274 D C 1.807 178.287 176.300 0.299 0.000 0.994 274 D CA 0.540 54.739 54.000 0.333 0.000 0.890 274 D CB -0.268 40.820 40.800 0.481 0.000 0.906 274 D HN 0.206 nan 8.370 nan 0.000 0.530 275 A N 0.511 123.530 122.820 0.331 0.000 2.235 275 A HA 0.123 4.444 4.320 0.002 0.000 0.208 275 A C 1.290 179.005 177.584 0.219 0.000 1.172 275 A CA 0.168 52.331 52.037 0.211 0.000 0.786 275 A CB -0.631 18.346 19.000 -0.038 0.000 0.804 275 A HN 0.290 nan 8.150 nan 0.000 0.479 276 S N -1.289 114.672 115.700 0.435 0.000 2.573 276 S HA 0.159 4.630 4.470 0.002 0.000 0.277 276 S C 1.034 175.795 174.600 0.267 0.000 1.346 276 S CA 0.327 58.794 58.200 0.445 0.000 1.034 276 S CB 0.307 63.849 63.200 0.571 0.000 0.879 276 S HN 0.384 nan 8.310 nan 0.000 0.528 277 M N 2.383 122.108 119.600 0.208 0.000 2.255 277 M HA -0.009 4.472 4.480 0.002 0.000 0.259 277 M C 0.978 177.309 176.300 0.052 0.000 1.071 277 M CA 1.790 57.129 55.300 0.065 0.000 1.074 277 M CB -0.585 31.988 32.600 -0.046 0.000 1.384 277 M HN 0.788 nan 8.290 nan 0.000 0.415 278 L N -1.374 119.917 121.223 0.113 0.000 2.808 278 L HA 0.230 4.571 4.340 0.002 0.000 0.246 278 L C 0.238 177.217 176.870 0.181 0.000 1.153 278 L CA -0.423 54.474 54.840 0.094 0.000 0.956 278 L CB -0.130 41.931 42.059 0.003 0.000 1.270 278 L HN 0.070 nan 8.230 nan 0.000 0.528 279 D N 2.096 122.631 120.400 0.225 0.000 2.351 279 D HA 0.090 4.731 4.640 0.002 0.000 0.251 279 D C -1.427 175.012 176.300 0.232 0.000 1.137 279 D CA -1.308 52.856 54.000 0.273 0.000 0.879 279 D CB 2.079 43.075 40.800 0.327 0.000 1.181 279 D HN -0.017 nan 8.370 nan 0.000 0.448 280 P HA -0.035 nan 4.420 nan 0.000 0.223 280 P C 1.289 178.687 177.300 0.163 0.000 1.151 280 P CA 0.477 63.680 63.100 0.171 0.000 0.787 280 P CB 0.474 32.264 31.700 0.151 0.000 0.788 281 L N -1.613 119.743 121.223 0.221 0.000 2.653 281 L HA 0.414 4.755 4.340 0.002 0.000 0.231 281 L C 0.990 178.063 176.870 0.339 0.000 1.153 281 L CA -0.214 54.760 54.840 0.224 0.000 0.933 281 L CB -0.069 42.057 42.059 0.112 0.000 1.175 281 L HN -0.034 nan 8.230 nan 0.000 0.473 282 A N -0.503 122.464 122.820 0.244 0.000 2.536 282 A HA 0.675 4.996 4.320 0.002 0.000 0.293 282 A C -0.458 177.221 177.584 0.158 0.000 1.119 282 A CA -0.633 51.519 52.037 0.192 0.000 0.654 282 A CB 1.063 20.140 19.000 0.129 0.000 1.291 282 A HN 0.034 nan 8.150 nan 0.000 0.439 283 R N -0.089 120.494 120.500 0.138 0.000 2.662 283 R HA 0.291 4.632 4.340 0.002 0.000 0.396 283 R C -0.426 175.939 176.300 0.109 0.000 1.096 283 R CA -0.135 56.032 56.100 0.111 0.000 1.081 283 R CB 0.184 30.541 30.300 0.096 0.000 1.382 283 R HN 0.670 nan 8.270 nan 0.000 0.580 284 M N -0.020 119.658 119.600 0.130 0.000 2.371 284 M HA 0.422 4.903 4.480 0.002 0.000 0.301 284 M C 0.897 177.246 176.300 0.082 0.000 1.173 284 M CA -0.256 55.123 55.300 0.133 0.000 1.020 284 M CB 0.833 33.548 32.600 0.192 0.000 1.490 284 M HN -0.070 nan 8.290 nan 0.000 0.485 285 M N 0.636 120.265 119.600 0.048 0.000 2.809 285 M HA 0.239 4.720 4.480 0.002 0.000 0.388 285 M C -0.716 175.556 176.300 -0.047 0.000 1.248 285 M CA -0.210 55.093 55.300 0.005 0.000 0.885 285 M CB 0.494 33.092 32.600 -0.003 0.000 1.386 285 M HN 0.221 nan 8.290 nan 0.000 0.509 286 V N 1.438 121.271 119.914 -0.135 0.000 2.614 286 V HA 0.214 4.335 4.120 0.002 0.000 0.291 286 V C 0.887 176.917 176.094 -0.106 0.000 1.049 286 V CA -0.100 61.990 62.300 -0.350 0.000 1.038 286 V CB 0.877 32.116 31.823 -0.974 0.000 0.980 286 V HN 0.557 nan 8.190 nan 0.000 0.481 287 T N 1.719 116.232 114.554 -0.069 0.000 2.936 287 T HA 0.627 4.978 4.350 0.002 0.000 0.282 287 T C 1.280 176.105 174.700 0.210 0.000 1.003 287 T CA -0.096 62.135 62.100 0.219 0.000 1.005 287 T CB 1.754 70.737 68.868 0.191 0.000 1.097 287 T HN 0.738 nan 8.240 nan 0.000 0.532 288 A N 0.397 123.389 122.820 0.286 0.000 1.948 288 A HA -0.151 4.170 4.320 0.002 0.000 0.220 288 A C 1.947 179.604 177.584 0.122 0.000 1.177 288 A CA 2.426 54.541 52.037 0.130 0.000 0.636 288 A CB -1.434 17.563 19.000 -0.004 0.000 0.815 288 A HN 1.024 nan 8.150 nan 0.000 0.449 289 D N -1.099 119.371 120.400 0.116 0.000 2.178 289 D HA 0.005 4.646 4.640 0.002 0.000 0.202 289 D C 1.946 178.246 176.300 0.000 0.000 0.974 289 D CA 1.480 55.516 54.000 0.061 0.000 0.841 289 D CB -0.368 40.482 40.800 0.083 0.000 0.953 289 D HN 0.310 nan 8.370 nan 0.000 0.478 290 G N -0.582 108.173 108.800 -0.074 0.000 2.433 290 G HA2 -0.247 3.714 3.960 0.002 0.000 0.216 290 G HA3 -0.247 3.714 3.960 0.002 0.000 0.216 290 G C 1.320 176.040 174.900 -0.300 0.000 1.186 290 G CA 0.575 45.539 45.100 -0.227 0.000 0.779 290 G HN 0.266 nan 8.290 nan 0.000 0.543 291 F N 0.861 120.712 119.950 -0.165 0.000 2.161 291 F HA 0.011 4.539 4.527 0.002 0.000 0.300 291 F C 2.686 178.420 175.800 -0.110 0.000 1.089 291 F CA 1.391 59.267 58.000 -0.207 0.000 1.282 291 F CB -0.411 38.561 39.000 -0.047 0.000 1.010 291 F HN 0.038 nan 8.300 nan 0.000 0.485 292 R N 0.534 121.104 120.500 0.117 0.000 2.083 292 R HA -0.218 4.123 4.340 0.002 0.000 0.237 292 R C 2.146 178.486 176.300 0.066 0.000 1.137 292 R CA 1.995 58.143 56.100 0.079 0.000 0.951 292 R CB -0.366 29.960 30.300 0.044 0.000 0.851 292 R HN 0.358 nan 8.270 nan 0.000 0.434 293 Q N -0.353 119.460 119.800 0.021 0.000 2.119 293 Q HA -0.149 4.192 4.340 0.002 0.000 0.201 293 Q C 2.219 178.237 176.000 0.030 0.000 0.972 293 Q CA 1.788 57.605 55.803 0.023 0.000 0.847 293 Q CB -0.023 28.715 28.738 0.000 0.000 0.903 293 Q HN 0.440 nan 8.270 nan 0.000 0.433 294 M N -0.091 119.475 119.600 -0.056 0.000 2.117 294 M HA -0.153 4.328 4.480 0.002 0.000 0.262 294 M C 2.348 178.745 176.300 0.161 0.000 1.065 294 M CA 1.534 56.770 55.300 -0.106 0.000 1.114 294 M CB -0.272 31.974 32.600 -0.588 0.000 1.361 294 M HN 0.220 nan 8.290 nan 0.000 0.408 295 A N 0.299 123.284 122.820 0.275 0.000 1.873 295 A HA -0.189 4.132 4.320 0.002 0.000 0.215 295 A C 2.078 179.912 177.584 0.417 0.000 1.186 295 A CA 1.951 54.355 52.037 0.612 0.000 0.616 295 A CB -0.617 18.650 19.000 0.445 0.000 0.823 295 A HN 0.392 nan 8.150 nan 0.000 0.442 296 R N 0.020 120.665 120.500 0.241 0.000 2.080 296 R HA -0.125 4.216 4.340 0.002 0.000 0.236 296 R C 2.232 178.642 176.300 0.183 0.000 1.137 296 R CA 2.111 58.319 56.100 0.180 0.000 0.943 296 R CB -0.531 29.838 30.300 0.115 0.000 0.846 296 R HN 0.525 nan 8.270 nan 0.000 0.431 297 R N -0.828 119.774 120.500 0.171 0.000 2.083 297 R HA -0.101 4.240 4.340 0.002 0.000 0.237 297 R C 2.242 178.654 176.300 0.186 0.000 1.137 297 R CA 2.282 58.474 56.100 0.154 0.000 0.951 297 R CB -0.522 29.856 30.300 0.131 0.000 0.851 297 R HN 0.358 nan 8.270 nan 0.000 0.434 298 T N 0.868 115.584 114.554 0.271 0.000 2.777 298 T HA -0.047 4.304 4.350 0.002 0.000 0.266 298 T C 1.914 176.742 174.700 0.212 0.000 1.040 298 T CA 1.103 63.355 62.100 0.254 0.000 1.141 298 T CB -0.158 68.915 68.868 0.341 0.000 0.868 298 T HN 0.120 nan 8.240 nan 0.000 0.444 299 I N 1.689 122.432 120.570 0.289 0.000 2.163 299 I HA -0.193 3.978 4.170 0.002 0.000 0.243 299 I C 2.326 178.535 176.117 0.154 0.000 1.085 299 I CA 1.253 62.699 61.300 0.242 0.000 1.347 299 I CB -0.422 37.749 38.000 0.285 0.000 1.044 299 I HN 0.111 nan 8.210 nan 0.000 0.408 300 D N 0.151 120.637 120.400 0.143 0.000 2.123 300 D HA -0.217 4.424 4.640 0.002 0.000 0.196 300 D C 2.221 178.572 176.300 0.086 0.000 0.992 300 D CA 1.307 55.369 54.000 0.104 0.000 0.833 300 D CB -0.715 40.143 40.800 0.096 0.000 0.954 300 D HN 0.421 nan 8.370 nan 0.000 0.455 301 C N 1.202 120.557 119.300 0.091 0.000 2.413 301 C HA -0.093 4.368 4.460 0.002 0.000 0.277 301 C C 2.925 177.950 174.990 0.058 0.000 1.228 301 C CA 1.581 60.643 59.018 0.072 0.000 1.731 301 C CB -1.105 26.682 27.740 0.079 0.000 2.042 301 C HN 0.352 nan 8.230 nan 0.000 0.468 302 A N 0.586 123.443 122.820 0.061 0.000 1.892 302 A HA -0.021 4.300 4.320 0.002 0.000 0.218 302 A C 2.527 180.132 177.584 0.034 0.000 1.188 302 A CA 2.758 54.819 52.037 0.040 0.000 0.631 302 A CB -1.364 17.660 19.000 0.040 0.000 0.822 302 A HN 0.981 nan 8.150 nan 0.000 0.447 303 A N -0.184 122.664 122.820 0.047 0.000 1.917 303 A HA -0.243 4.078 4.320 0.002 0.000 0.219 303 A C 1.813 179.418 177.584 0.034 0.000 1.182 303 A CA 2.080 54.140 52.037 0.039 0.000 0.633 303 A CB -0.656 18.378 19.000 0.055 0.000 0.819 303 A HN 0.502 nan 8.150 nan 0.000 0.448 304 D N -0.353 120.070 120.400 0.039 0.000 2.117 304 D HA -0.099 4.542 4.640 0.002 0.000 0.198 304 D C 1.884 178.198 176.300 0.023 0.000 0.982 304 D CA 1.848 55.867 54.000 0.032 0.000 0.828 304 D CB -0.210 40.611 40.800 0.035 0.000 0.967 304 D HN 0.749 nan 8.370 nan 0.000 0.464 305 I N -2.172 118.411 120.570 0.021 0.000 4.139 305 I HA 0.146 4.317 4.170 0.002 0.000 0.320 305 I C 0.834 176.951 176.117 0.001 0.000 1.290 305 I CA -0.020 61.288 61.300 0.012 0.000 1.253 305 I CB 0.533 38.545 38.000 0.019 0.000 1.122 305 I HN -0.016 nan 8.210 nan 0.000 0.421 306 C N -0.389 118.913 119.300 0.002 0.000 3.025 306 C HA 0.498 4.959 4.460 0.002 0.000 0.240 306 C C 0.034 175.019 174.990 -0.008 0.000 2.061 306 C CA -0.867 58.146 59.018 -0.008 0.000 1.571 306 C CB -1.059 26.673 27.740 -0.013 0.000 3.075 306 C HN 0.498 nan 8.230 nan 0.000 0.479 307 D N 1.232 121.630 120.400 -0.004 0.000 2.837 307 D HA -0.145 4.496 4.640 0.002 0.000 0.230 307 D C 1.493 177.779 176.300 -0.022 0.000 1.152 307 D CA 2.319 56.315 54.000 -0.007 0.000 0.736 307 D CB -1.416 39.379 40.800 -0.008 0.000 1.084 307 D HN 1.677 nan 8.370 nan 0.000 0.429 308 G N -0.165 108.628 108.800 -0.012 0.000 2.168 308 G HA2 -0.412 3.549 3.960 0.002 0.000 0.263 308 G HA3 -0.412 3.549 3.960 0.002 0.000 0.263 308 G C 0.344 175.237 174.900 -0.011 0.000 0.977 308 G CA 0.446 45.536 45.100 -0.017 0.000 0.659 308 G HN 0.510 nan 8.290 nan 0.000 0.533 309 R N 0.027 120.520 120.500 -0.012 0.000 2.291 309 R HA 0.568 4.909 4.340 0.002 0.000 0.333 309 R C -0.011 176.282 176.300 -0.013 0.000 1.082 309 R CA 0.184 56.279 56.100 -0.009 0.000 0.948 309 R CB 0.424 30.717 30.300 -0.012 0.000 1.009 309 R HN 0.474 nan 8.270 nan 0.000 0.460 310 I N 2.223 122.795 120.570 0.002 0.000 2.644 310 I HA 0.287 4.458 4.170 0.002 0.000 0.291 310 I C -1.451 174.660 176.117 -0.010 0.000 1.180 310 I CA -0.954 60.321 61.300 -0.043 0.000 1.040 310 I CB 2.143 40.130 38.000 -0.022 0.000 1.255 310 I HN 0.195 nan 8.210 nan 0.000 0.422 311 V N 7.708 127.548 119.914 -0.124 0.000 2.443 311 V HA 0.440 4.561 4.120 0.002 0.000 0.293 311 V C -0.664 175.286 176.094 -0.241 0.000 1.021 311 V CA -0.413 61.846 62.300 -0.068 0.000 0.848 311 V CB 1.485 33.270 31.823 -0.064 0.000 0.998 311 V HN 0.459 nan 8.190 nan 0.000 0.424 312 F N 3.731 123.554 119.950 -0.212 0.000 2.385 312 F HA 0.664 5.191 4.527 0.001 0.000 0.336 312 F C 0.250 175.676 175.800 -0.623 0.000 1.100 312 F CA -0.512 57.213 58.000 -0.458 0.000 1.116 312 F CB 1.720 40.383 39.000 -0.562 0.000 1.166 312 F HN 0.168 nan 8.300 nan 0.000 0.511 313 V N 2.644 122.304 119.914 -0.423 0.000 2.569 313 V HA 0.250 4.371 4.120 0.002 0.000 0.301 313 V C -0.466 175.457 176.094 -0.284 0.000 1.044 313 V CA -1.071 61.032 62.300 -0.329 0.000 0.874 313 V CB 1.549 33.246 31.823 -0.210 0.000 1.002 313 V HN 0.616 nan 8.190 nan 0.000 0.424 314 Q N 3.869 123.582 119.800 -0.145 0.000 2.286 314 Q HA 0.138 4.479 4.340 0.002 0.000 0.290 314 Q C 0.268 176.221 176.000 -0.078 0.000 1.049 314 Q CA 1.058 56.883 55.803 0.036 0.000 0.923 314 Q CB 0.631 29.511 28.738 0.238 0.000 1.183 314 Q HN 0.745 nan 8.270 nan 0.000 0.383 315 E N 2.068 122.187 120.200 -0.135 0.000 3.834 315 E HA 0.453 4.804 4.350 0.002 0.000 0.318 315 E C 0.160 176.706 176.600 -0.090 0.000 0.680 315 E CA -0.085 56.205 56.400 -0.184 0.000 1.860 315 E CB -0.567 28.886 29.700 -0.411 0.000 2.061 315 E HN 0.702 nan 8.360 nan 0.000 0.447 316 G N -1.093 107.659 108.800 -0.081 0.000 2.510 316 G HA2 0.505 4.466 3.960 0.002 0.000 0.280 316 G HA3 0.505 4.466 3.960 0.002 0.000 0.280 316 G C -0.235 174.554 174.900 -0.185 0.000 1.386 316 G CA 0.055 45.150 45.100 -0.008 0.000 1.047 316 G HN 0.538 nan 8.290 nan 0.000 0.527 317 G N -2.878 105.561 108.800 -0.602 0.000 2.634 317 G HA2 0.230 4.191 3.960 0.002 0.000 0.568 317 G HA3 0.230 4.191 3.960 0.002 0.000 0.568 317 G C -0.905 173.552 174.900 -0.737 0.000 1.495 317 G CA -0.509 44.381 45.100 -0.350 0.000 0.903 317 G HN 0.746 nan 8.290 nan 0.000 0.646 318 Y N 0.882 121.319 120.300 0.228 0.000 2.728 318 Y HA 0.502 5.053 4.550 0.002 0.000 0.256 318 Y C 1.327 177.330 175.900 0.172 0.000 1.112 318 Y CA -0.003 58.220 58.100 0.206 0.000 1.240 318 Y CB 1.403 39.999 38.460 0.227 0.000 1.337 318 Y HN 0.652 nan 8.280 nan 0.000 0.559 319 S N 3.781 119.621 115.700 0.233 0.000 2.415 319 S HA 0.219 4.690 4.470 0.002 0.000 0.313 319 S C -1.590 173.054 174.600 0.073 0.000 1.067 319 S CA -1.657 56.669 58.200 0.209 0.000 1.099 319 S CB 0.766 64.128 63.200 0.269 0.000 0.991 319 S HN 0.042 nan 8.310 nan 0.000 0.491 320 P HA -0.124 nan 4.420 nan 0.000 0.223 320 P C 0.882 178.074 177.300 -0.180 0.000 1.151 320 P CA 1.123 64.123 63.100 -0.166 0.000 0.787 320 P CB -0.054 31.483 31.700 -0.271 0.000 0.788 321 H N -1.897 117.236 119.070 0.105 0.000 2.307 321 H HA -0.082 4.475 4.556 0.001 0.000 0.303 321 H C 1.794 177.238 175.328 0.193 0.000 1.073 321 H CA 1.255 57.392 56.048 0.149 0.000 1.338 321 H CB -0.884 28.927 29.762 0.082 0.000 1.389 321 H HN 0.153 nan 8.280 nan 0.000 0.503 322 Y N 0.976 121.292 120.300 0.026 0.000 2.524 322 Y HA 0.106 4.657 4.550 0.001 0.000 0.270 322 Y C 2.484 178.363 175.900 -0.034 0.000 1.094 322 Y CA -0.204 57.864 58.100 -0.054 0.000 1.276 322 Y CB -0.306 38.047 38.460 -0.179 0.000 1.130 322 Y HN 0.001 nan 8.280 nan 0.000 0.536 323 L N 1.048 122.212 121.223 -0.098 0.000 2.013 323 L HA -0.174 4.166 4.340 0.002 0.000 0.212 323 L C -0.852 175.637 176.870 -0.634 0.000 1.073 323 L CA 1.910 56.547 54.840 -0.338 0.000 0.753 323 L CB -1.273 40.700 42.059 -0.144 0.000 0.890 323 L HN 0.053 nan 8.230 nan 0.000 0.432 324 P HA -0.196 nan 4.420 nan 0.000 0.216 324 P C 1.256 178.066 177.300 -0.818 0.000 1.153 324 P CA 1.777 64.508 63.100 -0.615 0.000 0.858 324 P CB -0.140 31.268 31.700 -0.486 0.000 0.789 325 F N -1.584 118.094 119.950 -0.452 0.000 2.325 325 F HA -0.107 4.421 4.527 0.001 0.000 0.299 325 F C 2.429 177.847 175.800 -0.636 0.000 1.090 325 F CA 0.692 58.441 58.000 -0.418 0.000 1.392 325 F CB -1.441 37.447 39.000 -0.186 0.000 1.053 325 F HN -0.025 nan 8.300 nan 0.000 0.521 326 C N 0.009 118.821 119.300 -0.812 0.000 2.453 326 C HA -0.065 4.396 4.460 0.002 0.000 0.277 326 C C 3.155 177.283 174.990 -1.436 0.000 1.262 326 C CA 1.300 59.712 59.018 -1.010 0.000 1.718 326 C CB -1.587 25.402 27.740 -1.252 0.000 2.031 326 C HN 0.630 nan 8.230 nan 0.000 0.480 327 G N 0.200 107.794 108.800 -2.010 0.000 2.402 327 G HA2 -0.180 3.781 3.960 0.002 0.000 0.216 327 G HA3 -0.180 3.781 3.960 0.002 0.000 0.216 327 G C 1.526 175.839 174.900 -0.978 0.000 1.162 327 G CA 0.806 44.602 45.100 -2.173 0.000 0.777 327 G HN 0.435 nan 8.290 nan 0.000 0.539 328 L N 1.454 122.250 121.223 -0.711 0.000 2.042 328 L HA 0.077 4.418 4.340 0.002 0.000 0.210 328 L C 3.085 179.838 176.870 -0.197 0.000 1.076 328 L CA 2.082 56.760 54.840 -0.271 0.000 0.749 328 L CB -0.693 41.220 42.059 -0.242 0.000 0.893 328 L HN 0.247 nan 8.230 nan 0.000 0.432 329 A N -1.216 121.467 122.820 -0.228 0.000 1.908 329 A HA -0.181 4.140 4.320 0.002 0.000 0.218 329 A C 2.268 179.811 177.584 -0.068 0.000 1.181 329 A CA 2.139 54.110 52.037 -0.109 0.000 0.627 329 A CB -1.150 17.801 19.000 -0.082 0.000 0.818 329 A HN 0.305 nan 8.150 nan 0.000 0.445 330 V N 0.666 120.527 119.914 -0.087 0.000 2.287 330 V HA -0.271 3.850 4.120 0.002 0.000 0.248 330 V C 2.456 178.502 176.094 -0.079 0.000 1.053 330 V CA 1.857 64.150 62.300 -0.012 0.000 1.027 330 V CB -0.723 31.196 31.823 0.160 0.000 0.646 330 V HN 0.524 nan 8.190 nan 0.000 0.447 331 I N 0.187 120.703 120.570 -0.091 0.000 2.208 331 I HA -0.235 3.936 4.170 0.002 0.000 0.245 331 I C 2.542 178.638 176.117 -0.035 0.000 1.097 331 I CA 1.684 62.948 61.300 -0.059 0.000 1.363 331 I CB -1.329 36.625 38.000 -0.077 0.000 1.051 331 I HN 0.482 nan 8.210 nan 0.000 0.413 332 E N 0.424 120.598 120.200 -0.043 0.000 2.110 332 E HA -0.219 4.132 4.350 0.002 0.000 0.193 332 E C 1.959 178.553 176.600 -0.009 0.000 0.988 332 E CA 0.883 57.264 56.400 -0.032 0.000 0.804 332 E CB -0.021 29.659 29.700 -0.034 0.000 0.745 332 E HN 0.431 nan 8.360 nan 0.000 0.458 333 E N 0.583 120.787 120.200 0.006 0.000 2.150 333 E HA -0.127 4.224 4.350 0.002 0.000 0.193 333 E C 2.150 178.787 176.600 0.062 0.000 0.985 333 E CA 0.607 57.032 56.400 0.041 0.000 0.814 333 E CB -0.101 29.643 29.700 0.073 0.000 0.752 333 E HN 0.334 nan 8.360 nan 0.000 0.466 334 L N 0.611 121.862 121.223 0.046 0.000 2.044 334 L HA -0.127 4.214 4.340 0.002 0.000 0.205 334 L C 2.643 179.565 176.870 0.087 0.000 1.075 334 L CA 1.778 56.671 54.840 0.089 0.000 0.747 334 L CB -0.639 41.477 42.059 0.095 0.000 0.903 334 L HN 0.210 nan 8.230 nan 0.000 0.435 335 T N -3.595 110.989 114.554 0.050 0.000 2.985 335 T HA 0.049 4.400 4.350 0.002 0.000 0.266 335 T C 1.562 176.256 174.700 -0.009 0.000 1.076 335 T CA 0.644 62.763 62.100 0.032 0.000 1.135 335 T CB -0.062 68.809 68.868 0.006 0.000 0.890 335 T HN 0.480 nan 8.240 nan 0.000 0.480 336 G N 0.619 109.413 108.800 -0.010 0.000 2.153 336 G HA2 -0.209 3.751 3.960 0.002 0.000 0.252 336 G HA3 -0.209 3.751 3.960 0.002 0.000 0.252 336 G C 0.050 174.898 174.900 -0.086 0.000 0.994 336 G CA 0.140 45.225 45.100 -0.025 0.000 0.698 336 G HN 0.779 nan 8.290 nan 0.000 0.521 337 V N 0.813 120.642 119.914 -0.143 0.000 2.328 337 V HA 0.495 4.616 4.120 0.002 0.000 0.278 337 V C 0.630 176.654 176.094 -0.117 0.000 1.021 337 V CA -0.566 61.605 62.300 -0.215 0.000 0.838 337 V CB 1.279 32.783 31.823 -0.533 0.000 0.999 337 V HN 0.346 nan 8.190 nan 0.000 0.447 338 R N 3.079 123.532 120.500 -0.078 0.000 2.278 338 R HA 0.324 4.665 4.340 0.002 0.000 0.322 338 R C 0.739 177.021 176.300 -0.031 0.000 1.058 338 R CA -0.062 56.012 56.100 -0.044 0.000 0.991 338 R CB 1.040 31.321 30.300 -0.032 0.000 1.140 338 R HN 0.815 nan 8.270 nan 0.000 0.518 339 S N 1.887 117.576 115.700 -0.019 0.000 2.540 339 S HA 0.261 4.732 4.470 0.002 0.000 0.222 339 S C 0.458 175.065 174.600 0.012 0.000 1.008 339 S CA -0.279 57.919 58.200 -0.003 0.000 0.939 339 S CB 0.531 63.737 63.200 0.010 0.000 0.865 339 S HN 0.325 nan 8.310 nan 0.000 0.499 340 L N 2.161 123.398 121.223 0.022 0.000 2.455 340 L HA 0.558 4.899 4.340 0.002 0.000 0.264 340 L C -2.776 174.120 176.870 0.044 0.000 0.968 340 L CA -2.053 52.818 54.840 0.051 0.000 0.827 340 L CB 2.398 44.524 42.059 0.112 0.000 1.317 340 L HN 0.012 nan 8.230 nan 0.000 0.407 341 P HA 0.128 nan 4.420 nan 0.000 0.274 341 P C -1.154 176.130 177.300 -0.026 0.000 1.237 341 P CA -0.387 62.700 63.100 -0.022 0.000 0.793 341 P CB 0.555 32.225 31.700 -0.050 0.000 0.977 342 D N 1.822 122.204 120.400 -0.029 0.000 2.336 342 D HA 0.069 4.710 4.640 0.002 0.000 0.249 342 D C -1.470 174.757 176.300 -0.121 0.000 1.213 342 D CA -2.129 51.836 54.000 -0.057 0.000 0.870 342 D CB 0.440 41.325 40.800 0.140 0.000 1.076 342 D HN 0.129 nan 8.370 nan 0.000 0.483 343 P HA -0.092 nan 4.420 nan 0.000 0.233 343 P C 0.452 177.509 177.300 -0.405 0.000 1.167 343 P CA 0.650 63.504 63.100 -0.409 0.000 0.770 343 P CB -0.000 31.337 31.700 -0.605 0.000 0.837 344 Y N -1.801 118.439 120.300 -0.099 0.000 2.482 344 Y HA 0.036 4.587 4.550 0.002 0.000 0.270 344 Y C 2.675 178.606 175.900 0.051 0.000 1.152 344 Y CA 0.151 58.247 58.100 -0.007 0.000 1.292 344 Y CB -0.948 37.460 38.460 -0.086 0.000 1.070 344 Y HN 0.069 nan 8.280 nan 0.000 0.528 345 H N 0.860 119.997 119.070 0.111 0.000 2.319 345 H HA -0.206 4.351 4.556 0.002 0.000 0.297 345 H C 2.238 177.594 175.328 0.046 0.000 1.097 345 H CA 2.367 58.464 56.048 0.081 0.000 1.285 345 H CB 0.092 29.884 29.762 0.049 0.000 1.368 345 H HN 0.417 nan 8.280 nan 0.000 0.495 346 E N -0.901 119.316 120.200 0.030 0.000 2.058 346 E HA -0.218 4.133 4.350 0.002 0.000 0.194 346 E C 1.986 178.577 176.600 -0.016 0.000 0.997 346 E CA 1.227 57.614 56.400 -0.022 0.000 0.801 346 E CB -0.344 29.384 29.700 0.046 0.000 0.746 346 E HN 0.524 nan 8.360 nan 0.000 0.450 347 F N 1.184 121.078 119.950 -0.093 0.000 2.134 347 F HA -0.134 4.394 4.527 0.001 0.000 0.299 347 F C 1.786 177.524 175.800 -0.104 0.000 1.097 347 F CA 1.387 59.340 58.000 -0.079 0.000 1.264 347 F CB -0.093 38.885 39.000 -0.037 0.000 1.001 347 F HN 0.012 nan 8.300 nan 0.000 0.479 348 L N -0.665 120.388 121.223 -0.284 0.000 2.307 348 L HA 0.122 4.463 4.340 0.002 0.000 0.211 348 L C 2.665 179.342 176.870 -0.321 0.000 1.099 348 L CA 0.676 55.279 54.840 -0.396 0.000 0.816 348 L CB -1.124 40.771 42.059 -0.274 0.000 0.952 348 L HN 0.140 nan 8.230 nan 0.000 0.455 349 A N 0.777 123.390 122.820 -0.345 0.000 2.032 349 A HA -0.145 4.176 4.320 0.002 0.000 0.221 349 A C 2.184 179.640 177.584 -0.214 0.000 1.165 349 A CA 1.858 53.691 52.037 -0.341 0.000 0.645 349 A CB -0.890 17.808 19.000 -0.504 0.000 0.807 349 A HN 0.443 nan 8.150 nan 0.000 0.453 350 G N -1.814 106.863 108.800 -0.204 0.000 3.088 350 G HA2 0.215 4.176 3.960 0.002 0.000 0.217 350 G HA3 0.215 4.176 3.960 0.002 0.000 0.217 350 G C 1.271 176.080 174.900 -0.151 0.000 1.159 350 G CA 0.346 45.357 45.100 -0.149 0.000 0.760 350 G HN 0.448 nan 8.290 nan 0.000 0.550 351 M N 0.276 119.759 119.600 -0.195 0.000 2.419 351 M HA 0.241 4.722 4.480 0.002 0.000 0.264 351 M C 1.348 177.576 176.300 -0.120 0.000 1.082 351 M CA 1.021 56.212 55.300 -0.182 0.000 1.119 351 M CB 0.090 32.543 32.600 -0.245 0.000 1.398 351 M HN 0.309 nan 8.290 nan 0.000 0.453 352 G N -1.119 107.618 108.800 -0.104 0.000 2.422 352 G HA2 0.193 4.154 3.960 0.002 0.000 0.607 352 G HA3 0.193 4.154 3.960 0.002 0.000 0.607 352 G C 0.234 175.099 174.900 -0.059 0.000 1.270 352 G CA -0.546 44.512 45.100 -0.070 0.000 0.992 352 G HN 0.551 nan 8.290 nan 0.000 0.499 353 G N -1.313 107.464 108.800 -0.038 0.000 2.213 353 G HA2 -0.269 3.692 3.960 0.002 0.000 0.236 353 G HA3 -0.269 3.692 3.960 0.002 0.000 0.236 353 G C 0.837 175.726 174.900 -0.018 0.000 0.991 353 G CA 1.161 46.248 45.100 -0.022 0.000 0.629 353 G HN 1.341 nan 8.290 nan 0.000 0.517 354 N N 0.760 119.444 118.700 -0.027 0.000 2.270 354 N HA 0.109 4.850 4.740 0.002 0.000 0.198 354 N C -0.166 175.332 175.510 -0.020 0.000 1.117 354 N CA 0.836 53.874 53.050 -0.019 0.000 0.845 354 N CB 0.497 38.972 38.487 -0.020 0.000 0.980 354 N HN 0.414 nan 8.380 nan 0.000 0.486 355 T N 1.289 115.827 114.554 -0.027 0.000 2.797 355 T HA 0.259 4.610 4.350 0.002 0.000 0.279 355 T C -0.216 174.456 174.700 -0.046 0.000 0.991 355 T CA -0.549 61.531 62.100 -0.035 0.000 0.979 355 T CB 2.198 71.045 68.868 -0.034 0.000 0.943 355 T HN -0.056 nan 8.240 nan 0.000 0.444 356 L N 5.449 126.630 121.223 -0.070 0.000 2.407 356 L HA 0.368 4.709 4.340 0.002 0.000 0.282 356 L C -0.472 176.336 176.870 -0.104 0.000 1.110 356 L CA 0.045 54.819 54.840 -0.111 0.000 0.863 356 L CB -0.497 41.436 42.059 -0.210 0.000 1.207 356 L HN 0.551 nan 8.230 nan 0.000 0.454 357 L N 4.244 125.419 121.223 -0.080 0.000 2.453 357 L HA 0.192 4.533 4.340 0.002 0.000 0.261 357 L C 1.160 177.985 176.870 -0.075 0.000 1.179 357 L CA -0.663 54.139 54.840 -0.064 0.000 0.813 357 L CB 0.343 42.376 42.059 -0.043 0.000 1.110 357 L HN 0.564 nan 8.230 nan 0.000 0.466 358 D N 1.428 121.792 120.400 -0.059 0.000 2.123 358 D HA -0.177 4.464 4.640 0.002 0.000 0.196 358 D C 1.918 178.188 176.300 -0.050 0.000 0.992 358 D CA 1.754 55.721 54.000 -0.055 0.000 0.833 358 D CB 0.030 40.807 40.800 -0.039 0.000 0.954 358 D HN 0.697 nan 8.370 nan 0.000 0.455 359 A N 0.789 123.584 122.820 -0.040 0.000 1.930 359 A HA -0.181 4.140 4.320 0.002 0.000 0.217 359 A C 2.077 179.634 177.584 -0.046 0.000 1.175 359 A CA 1.372 53.388 52.037 -0.035 0.000 0.627 359 A CB -0.429 18.558 19.000 -0.023 0.000 0.815 359 A HN 0.205 nan 8.150 nan 0.000 0.443 360 E N -0.630 119.537 120.200 -0.055 0.000 2.031 360 E HA -0.201 4.149 4.350 0.002 0.000 0.193 360 E C 2.307 178.868 176.600 -0.067 0.000 0.994 360 E CA 1.183 57.544 56.400 -0.066 0.000 0.800 360 E CB -0.216 29.442 29.700 -0.070 0.000 0.752 360 E HN 0.578 nan 8.360 nan 0.000 0.447 361 R N 0.718 121.159 120.500 -0.097 0.000 2.083 361 R HA -0.191 4.150 4.340 0.002 0.000 0.237 361 R C 2.264 178.554 176.300 -0.017 0.000 1.137 361 R CA 1.493 57.534 56.100 -0.098 0.000 0.951 361 R CB -0.254 29.951 30.300 -0.158 0.000 0.851 361 R HN 0.176 nan 8.270 nan 0.000 0.434 362 A N 0.625 123.426 122.820 -0.032 0.000 1.902 362 A HA -0.095 4.226 4.320 0.002 0.000 0.217 362 A C 2.364 179.931 177.584 -0.028 0.000 1.181 362 A CA 1.671 53.695 52.037 -0.022 0.000 0.623 362 A CB -0.768 18.217 19.000 -0.026 0.000 0.818 362 A HN 0.551 nan 8.150 nan 0.000 0.443 363 A N -0.205 122.588 122.820 -0.046 0.000 1.940 363 A HA -0.095 4.226 4.320 0.002 0.000 0.219 363 A C 2.105 179.652 177.584 -0.062 0.000 1.176 363 A CA 1.632 53.626 52.037 -0.072 0.000 0.631 363 A CB -0.574 18.367 19.000 -0.099 0.000 0.814 363 A HN 0.513 nan 8.150 nan 0.000 0.446 364 I N -0.647 119.907 120.570 -0.027 0.000 2.286 364 I HA -0.140 4.031 4.170 0.002 0.000 0.245 364 I C 2.210 178.325 176.117 -0.004 0.000 1.104 364 I CA 0.909 62.204 61.300 -0.008 0.000 1.397 364 I CB -0.284 37.766 38.000 0.083 0.000 1.072 364 I HN 0.170 nan 8.210 nan 0.000 0.417 365 E N 0.970 121.184 120.200 0.023 0.000 2.160 365 E HA -0.233 4.118 4.350 0.002 0.000 0.195 365 E C 1.915 178.509 176.600 -0.010 0.000 0.991 365 E CA 0.987 57.395 56.400 0.014 0.000 0.810 365 E CB -0.344 29.372 29.700 0.027 0.000 0.742 365 E HN 0.510 nan 8.360 nan 0.000 0.466 366 E N -0.085 120.103 120.200 -0.019 0.000 2.219 366 E HA -0.161 4.190 4.350 0.002 0.000 0.198 366 E C 1.567 178.150 176.600 -0.028 0.000 0.998 366 E CA 0.701 57.087 56.400 -0.024 0.000 0.818 366 E CB 0.035 29.714 29.700 -0.034 0.000 0.741 366 E HN 0.220 nan 8.360 nan 0.000 0.477 367 I N -0.111 120.437 120.570 -0.036 0.000 3.228 367 I HA -0.095 4.076 4.170 0.002 0.000 0.279 367 I C 2.179 178.270 176.117 -0.043 0.000 1.221 367 I CA 0.493 61.768 61.300 -0.042 0.000 1.458 367 I CB -0.798 37.171 38.000 -0.052 0.000 1.105 367 I HN -0.025 nan 8.210 nan 0.000 0.445 368 V N 2.687 122.578 119.914 -0.038 0.000 2.332 368 V HA -0.162 3.959 4.120 0.002 0.000 0.248 368 V C -0.058 176.015 176.094 -0.035 0.000 1.055 368 V CA 2.075 64.352 62.300 -0.039 0.000 1.038 368 V CB -1.995 29.807 31.823 -0.034 0.000 0.651 368 V HN 0.277 nan 8.190 nan 0.000 0.450 369 P HA -0.124 nan 4.420 nan 0.000 0.219 369 P C 1.752 179.029 177.300 -0.039 0.000 1.146 369 P CA 1.244 64.328 63.100 -0.027 0.000 0.808 369 P CB -0.108 31.581 31.700 -0.018 0.000 0.779 370 L N -1.737 119.455 121.223 -0.051 0.000 2.275 370 L HA -0.105 4.236 4.340 0.002 0.000 0.215 370 L C 2.238 179.049 176.870 -0.099 0.000 1.119 370 L CA 0.893 55.684 54.840 -0.081 0.000 0.790 370 L CB -0.917 41.087 42.059 -0.092 0.000 0.919 370 L HN 0.021 nan 8.230 nan 0.000 0.443 371 L N 0.195 121.374 121.223 -0.073 0.000 2.127 371 L HA -0.200 4.141 4.340 0.002 0.000 0.211 371 L C 2.952 179.786 176.870 -0.060 0.000 1.089 371 L CA 1.064 55.865 54.840 -0.065 0.000 0.757 371 L CB -0.798 41.236 42.059 -0.042 0.000 0.899 371 L HN 0.259 nan 8.230 nan 0.000 0.434 372 A N -0.047 122.744 122.820 -0.049 0.000 1.986 372 A HA -0.243 4.078 4.320 0.002 0.000 0.220 372 A C 1.735 179.290 177.584 -0.048 0.000 1.171 372 A CA 2.089 54.105 52.037 -0.036 0.000 0.640 372 A CB -0.456 18.529 19.000 -0.025 0.000 0.811 372 A HN 0.426 nan 8.150 nan 0.000 0.451 373 D N -0.654 119.692 120.400 -0.089 0.000 2.340 373 D HA 0.193 4.834 4.640 0.002 0.000 0.220 373 D C 0.744 176.912 176.300 -0.220 0.000 1.039 373 D CA 0.075 54.001 54.000 -0.123 0.000 0.866 373 D CB 0.029 40.751 40.800 -0.130 0.000 0.913 373 D HN 0.485 nan 8.370 nan 0.000 0.523 374 I N 0.000 120.466 120.570 -0.174 0.000 2.984 374 I HA 0.000 4.171 4.170 0.002 0.000 0.288 374 I CA 0.000 61.228 61.300 -0.120 0.000 1.566 374 I CB 0.000 37.991 38.000 -0.015 0.000 1.214 374 I HN 0.000 nan 8.210 nan 0.000 0.494