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 3b60_1_A DATA FIRST_RESID 10 DATA SEQUENCE WQTFRRLWPT IAPFKAGLIV AGIALILNAA SDTFMLSLLK PLLDDGFGKT DATA SEQUENCE DRSVLLWMPL VVIGLMILRG ITSYISSYCI SWVSGKVVMT MRRRLFGHMM DATA SEQUENCE GMPVAFFDKQ STGTLLSRIT YDSEQVASSS SGALITVVRE GASIIGLFIM DATA SEQUENCE MFYYSWQLSI ILVVLAPIVS IAIRVVSKRF RSISKNMQNT MGQVTTSAEQ DATA SEQUENCE MLKGHKEVLI FGGQEVETKR FDKVSNKMRL QGMKMVSASS ISDPIIQLIA DATA SEQUENCE SLALAFVLYA ASFPSVMDSL TAGTITVVFS SMIALMRPLK SLTNVNAQFQ DATA SEQUENCE RGMAACQTLF AILDSEQEKD EGKRVIDRAT GDLEFRNVTF TYPGREVPAL DATA SEQUENCE RNINLKIPAG KTVALVGRSG SGKSTIASLI TRFYDIDEGH ILMDGHDLRE DATA SEQUENCE YTLASLRNQV ALVSQNVHLF NDTVANNIAY ARTEEYSREQ IEEAARMAYA DATA SEQUENCE MDFINKMDNG LDTIIGENGV LLSGGQRQRI AIARALLRDS PILILDEATS DATA SEQUENCE ALDTESERAI QAALDELQKN RTSLVIAHRL STIEQADEIV VVEDGIIVER DATA SEQUENCE GTHSELLAQH GVYAQLHKMQ FG 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 10 W HA 0.000 nan 4.660 nan 0.000 0.303 10 W C 0.000 176.703 176.519 0.307 0.000 1.175 10 W CA 0.000 57.476 57.345 0.218 0.000 1.226 10 W CB 0.000 29.537 29.460 0.127 0.000 1.126 11 Q N -0.291 118.937 119.800 -0.953 0.000 1.036 11 Q HA -0.362 3.978 4.340 0.000 0.000 0.297 11 Q C 1.172 176.964 176.000 -0.347 0.000 1.037 11 Q CA 2.749 58.055 55.803 -0.829 0.000 0.664 11 Q CB -1.499 27.051 28.738 -0.314 0.000 4.508 11 Q HN 1.093 nan 8.270 nan 0.000 0.433 12 T N -0.620 113.757 114.554 -0.295 0.000 2.592 12 T HA -0.250 4.100 4.350 0.000 0.000 0.267 12 T C 1.612 176.268 174.700 -0.074 0.000 1.060 12 T CA 2.680 64.667 62.100 -0.189 0.000 1.167 12 T CB -0.919 67.718 68.868 -0.385 0.000 0.863 12 T HN 0.398 nan 8.240 nan 0.000 0.431 13 F N 2.674 122.679 119.950 0.093 0.000 2.065 13 F HA -0.027 4.500 4.527 0.000 0.000 0.298 13 F C 2.883 178.782 175.800 0.165 0.000 1.112 13 F CA 1.441 59.524 58.000 0.139 0.000 1.212 13 F CB -1.067 38.055 39.000 0.205 0.000 0.975 13 F HN 0.114 nan 8.300 nan 0.000 0.476 14 R N 1.328 122.016 120.500 0.314 0.000 2.097 14 R HA -0.208 4.132 4.340 0.000 0.000 0.236 14 R C 2.212 178.633 176.300 0.200 0.000 1.135 14 R CA 2.010 58.225 56.100 0.192 0.000 0.934 14 R CB -0.870 29.345 30.300 -0.142 0.000 0.846 14 R HN 0.268 nan 8.270 nan 0.000 0.431 15 R N -0.122 120.435 120.500 0.095 0.000 2.249 15 R HA -0.097 4.243 4.340 0.000 0.000 0.230 15 R C 2.130 178.622 176.300 0.319 0.000 1.121 15 R CA 1.450 57.603 56.100 0.088 0.000 0.997 15 R CB -0.299 29.959 30.300 -0.070 0.000 0.867 15 R HN 0.455 nan 8.270 nan 0.000 0.465 16 L N -0.707 120.829 121.223 0.523 0.000 2.209 16 L HA -0.046 4.294 4.340 0.000 0.000 0.207 16 L C 1.809 178.871 176.870 0.320 0.000 1.094 16 L CA 0.485 55.641 54.840 0.526 0.000 0.790 16 L CB -0.253 41.920 42.059 0.191 0.000 0.932 16 L HN 0.296 nan 8.230 nan 0.000 0.447 17 W N 2.117 123.516 121.300 0.164 0.000 2.331 17 W HA -0.155 4.505 4.660 0.000 0.000 0.291 17 W C -1.008 175.568 176.519 0.095 0.000 1.214 17 W CA 1.433 58.854 57.345 0.127 0.000 1.228 17 W CB -1.481 28.056 29.460 0.129 0.000 1.135 17 W HN 0.132 nan 8.180 nan 0.000 0.537 18 P HA -0.226 nan 4.420 nan 0.000 0.215 18 P C 1.755 178.893 177.300 -0.270 0.000 1.157 18 P CA 3.566 66.538 63.100 -0.213 0.000 0.874 18 P CB -0.605 31.059 31.700 -0.059 0.000 0.790 19 T N -4.036 110.449 114.554 -0.114 0.000 3.085 19 T HA -0.001 4.349 4.350 0.000 0.000 0.263 19 T C 1.621 176.275 174.700 -0.076 0.000 1.127 19 T CA 0.681 62.733 62.100 -0.081 0.000 1.103 19 T CB -0.742 68.150 68.868 0.041 0.000 0.921 19 T HN -0.058 nan 8.240 nan 0.000 0.510 20 I N 1.317 121.810 120.570 -0.129 0.000 2.867 20 I HA 0.208 4.378 4.170 0.000 0.000 0.265 20 I C 3.031 179.011 176.117 -0.228 0.000 1.162 20 I CA 0.650 61.923 61.300 -0.044 0.000 1.471 20 I CB -1.566 36.453 38.000 0.031 0.000 1.123 20 I HN 0.315 nan 8.210 nan 0.000 0.440 21 A N 2.818 125.246 122.820 -0.653 0.000 1.873 21 A HA -0.205 4.115 4.320 0.000 0.000 0.219 21 A C -0.043 177.315 177.584 -0.377 0.000 1.269 21 A CA 2.290 53.877 52.037 -0.751 0.000 0.671 21 A CB -2.318 16.068 19.000 -1.024 0.000 0.842 21 A HN 0.248 nan 8.150 nan 0.000 0.460 22 P HA -0.133 nan 4.420 nan 0.000 0.223 22 P C 0.337 177.380 177.300 -0.427 0.000 1.140 22 P CA 1.086 63.892 63.100 -0.490 0.000 0.783 22 P CB -0.136 31.138 31.700 -0.710 0.000 0.759 23 F N -1.127 118.830 119.950 0.013 0.000 2.661 23 F HA 0.184 4.711 4.527 0.000 0.000 0.306 23 F C 1.790 177.750 175.800 0.267 0.000 1.094 23 F CA -0.475 57.634 58.000 0.181 0.000 1.254 23 F CB -0.578 38.372 39.000 -0.083 0.000 1.040 23 F HN -0.075 nan 8.300 nan 0.000 0.562 24 K N 0.481 121.036 120.400 0.258 0.000 2.360 24 K HA -0.089 4.231 4.320 0.000 0.000 0.201 24 K C 1.921 178.645 176.600 0.208 0.000 1.046 24 K CA 1.259 57.690 56.287 0.239 0.000 0.940 24 K CB -0.498 32.133 32.500 0.219 0.000 0.748 24 K HN 0.165 nan 8.250 nan 0.000 0.465 25 A N 1.720 124.653 122.820 0.188 0.000 2.024 25 A HA -0.051 4.269 4.320 0.000 0.000 0.220 25 A C 2.408 180.001 177.584 0.016 0.000 1.164 25 A CA 1.618 53.699 52.037 0.074 0.000 0.643 25 A CB -1.001 18.003 19.000 0.007 0.000 0.806 25 A HN 0.567 nan 8.150 nan 0.000 0.451 26 G N -0.517 108.339 108.800 0.093 0.000 2.396 26 G HA2 -0.058 3.902 3.960 0.000 0.000 0.214 26 G HA3 -0.058 3.902 3.960 0.000 0.000 0.214 26 G C 1.536 176.471 174.900 0.059 0.000 1.166 26 G CA 0.731 45.840 45.100 0.014 0.000 0.793 26 G HN 0.453 nan 8.290 nan 0.000 0.533 27 L N 0.146 121.454 121.223 0.142 0.000 1.990 27 L HA -0.052 4.288 4.340 0.000 0.000 0.213 27 L C 2.662 179.585 176.870 0.088 0.000 1.072 27 L CA 1.534 56.449 54.840 0.125 0.000 0.755 27 L CB -0.202 41.965 42.059 0.180 0.000 0.889 27 L HN 0.276 nan 8.230 nan 0.000 0.432 28 I N -1.079 119.546 120.570 0.091 0.000 2.142 28 I HA -0.282 3.888 4.170 0.000 0.000 0.240 28 I C 2.256 178.403 176.117 0.050 0.000 1.078 28 I CA 1.338 62.679 61.300 0.069 0.000 1.343 28 I CB 0.073 38.116 38.000 0.071 0.000 1.046 28 I HN 0.076 nan 8.210 nan 0.000 0.405 29 V N 1.329 121.268 119.914 0.041 0.000 2.568 29 V HA -0.288 3.832 4.120 0.000 0.000 0.253 29 V C 2.535 178.666 176.094 0.060 0.000 1.072 29 V CA 1.792 64.126 62.300 0.057 0.000 1.084 29 V CB -1.137 30.740 31.823 0.090 0.000 0.676 29 V HN 0.598 nan 8.190 nan 0.000 0.469 30 A N 0.180 123.016 122.820 0.026 0.000 1.975 30 A HA 0.130 4.450 4.320 0.000 0.000 0.215 30 A C 2.349 179.953 177.584 0.033 0.000 1.170 30 A CA 1.283 53.333 52.037 0.022 0.000 0.656 30 A CB -0.711 18.286 19.000 -0.005 0.000 0.821 30 A HN 0.501 nan 8.150 nan 0.000 0.449 31 G N -0.157 108.665 108.800 0.037 0.000 2.448 31 G HA2 -0.032 3.928 3.960 0.000 0.000 0.218 31 G HA3 -0.032 3.928 3.960 0.000 0.000 0.218 31 G C 1.279 176.198 174.900 0.030 0.000 1.135 31 G CA 0.919 46.040 45.100 0.035 0.000 0.784 31 G HN 0.351 nan 8.290 nan 0.000 0.543 32 I N 1.572 122.161 120.570 0.033 0.000 2.617 32 I HA 0.031 4.201 4.170 0.000 0.000 0.256 32 I C 3.052 179.185 176.117 0.027 0.000 1.167 32 I CA 0.910 62.227 61.300 0.028 0.000 1.469 32 I CB -1.008 37.009 38.000 0.028 0.000 1.098 32 I HN 0.233 nan 8.210 nan 0.000 0.436 33 A N 0.900 123.742 122.820 0.036 0.000 1.929 33 A HA -0.123 4.197 4.320 0.000 0.000 0.216 33 A C 2.408 180.009 177.584 0.029 0.000 1.176 33 A CA 0.873 52.932 52.037 0.037 0.000 0.628 33 A CB -0.645 18.388 19.000 0.054 0.000 0.816 33 A HN 0.363 nan 8.150 nan 0.000 0.444 34 L N -0.717 120.523 121.223 0.028 0.000 1.976 34 L HA -0.206 4.134 4.340 0.000 0.000 0.209 34 L C 2.405 179.287 176.870 0.020 0.000 1.071 34 L CA 1.757 56.611 54.840 0.024 0.000 0.746 34 L CB -0.381 41.691 42.059 0.022 0.000 0.890 34 L HN 0.339 nan 8.230 nan 0.000 0.432 35 I N -0.088 120.493 120.570 0.018 0.000 2.113 35 I HA -0.366 3.804 4.170 0.000 0.000 0.242 35 I C 2.321 178.446 176.117 0.014 0.000 1.064 35 I CA 1.524 62.834 61.300 0.015 0.000 1.320 35 I CB -0.633 37.376 38.000 0.014 0.000 1.028 35 I HN 0.189 nan 8.210 nan 0.000 0.406 36 L N -0.076 121.152 121.223 0.009 0.000 2.127 36 L HA -0.234 4.106 4.340 0.000 0.000 0.211 36 L C 2.062 178.931 176.870 -0.001 0.000 1.089 36 L CA 1.791 56.629 54.840 -0.003 0.000 0.757 36 L CB -1.073 40.982 42.059 -0.007 0.000 0.899 36 L HN 0.360 nan 8.230 nan 0.000 0.434 37 N N -1.346 117.361 118.700 0.012 0.000 2.354 37 N HA -0.085 4.655 4.740 0.000 0.000 0.179 37 N C 1.858 177.382 175.510 0.024 0.000 1.021 37 N CA 0.635 53.695 53.050 0.017 0.000 0.887 37 N CB 0.075 38.576 38.487 0.023 0.000 0.974 37 N HN 0.369 nan 8.380 nan 0.000 0.437 38 A N 1.231 124.066 122.820 0.025 0.000 1.902 38 A HA -0.039 4.281 4.320 0.000 0.000 0.217 38 A C 2.296 179.914 177.584 0.056 0.000 1.181 38 A CA 1.660 53.717 52.037 0.034 0.000 0.623 38 A CB -0.707 18.309 19.000 0.026 0.000 0.818 38 A HN 0.339 nan 8.150 nan 0.000 0.443 39 A N -0.903 121.947 122.820 0.051 0.000 1.933 39 A HA -0.087 4.233 4.320 0.000 0.000 0.218 39 A C 2.441 180.082 177.584 0.095 0.000 1.175 39 A CA 2.030 54.117 52.037 0.084 0.000 0.628 39 A CB -0.925 18.082 19.000 0.012 0.000 0.814 39 A HN 0.569 nan 8.150 nan 0.000 0.444 40 S N -0.372 115.340 115.700 0.019 0.000 2.442 40 S HA -0.155 4.315 4.470 0.000 0.000 0.236 40 S C 1.321 175.982 174.600 0.100 0.000 1.007 40 S CA 1.608 59.819 58.200 0.019 0.000 0.965 40 S CB -0.498 62.700 63.200 -0.003 0.000 0.773 40 S HN 0.575 nan 8.310 nan 0.000 0.504 41 D N 0.653 121.113 120.400 0.101 0.000 2.162 41 D HA -0.013 4.627 4.640 0.000 0.000 0.205 41 D C 2.372 178.742 176.300 0.116 0.000 0.964 41 D CA 1.670 55.724 54.000 0.091 0.000 0.847 41 D CB -0.989 39.845 40.800 0.057 0.000 0.988 41 D HN 0.639 nan 8.370 nan 0.000 0.480 42 T N -1.272 113.377 114.554 0.158 0.000 2.833 42 T HA -0.154 4.196 4.350 0.000 0.000 0.269 42 T C 1.874 176.637 174.700 0.104 0.000 1.054 42 T CA 0.810 62.982 62.100 0.119 0.000 1.135 42 T CB -0.577 68.369 68.868 0.130 0.000 0.869 42 T HN -0.034 nan 8.240 nan 0.000 0.466 43 F N 0.785 120.736 119.950 0.003 0.000 2.270 43 F HA 0.346 4.873 4.527 0.000 0.000 0.295 43 F C 2.478 178.280 175.800 0.003 0.000 1.087 43 F CA 0.301 58.305 58.000 0.006 0.000 1.365 43 F CB -0.491 38.526 39.000 0.029 0.000 1.056 43 F HN 0.041 nan 8.300 nan 0.000 0.506 44 M N -0.439 119.275 119.600 0.190 0.000 2.296 44 M HA -0.108 4.372 4.480 0.000 0.000 0.265 44 M C 2.286 178.616 176.300 0.050 0.000 1.064 44 M CA 1.157 56.520 55.300 0.105 0.000 1.109 44 M CB -1.204 31.447 32.600 0.085 0.000 1.396 44 M HN 0.252 nan 8.290 nan 0.000 0.430 45 L N -0.779 120.463 121.223 0.032 0.000 2.209 45 L HA -0.009 4.331 4.340 0.000 0.000 0.207 45 L C 1.297 178.140 176.870 -0.044 0.000 1.094 45 L CA 0.724 55.561 54.840 -0.006 0.000 0.790 45 L CB 0.020 42.073 42.059 -0.010 0.000 0.932 45 L HN 0.070 nan 8.230 nan 0.000 0.447 46 S N 0.762 116.419 115.700 -0.071 0.000 2.942 46 S HA 0.107 4.577 4.470 0.000 0.000 0.244 46 S C 0.868 175.378 174.600 -0.150 0.000 1.011 46 S CA 0.138 58.250 58.200 -0.146 0.000 1.102 46 S CB 0.036 63.081 63.200 -0.259 0.000 0.812 46 S HN 0.391 nan 8.310 nan 0.000 0.486 47 L N -0.850 120.319 121.223 -0.090 0.000 2.598 47 L HA 0.204 4.544 4.340 0.000 0.000 0.284 47 L C 0.897 177.742 176.870 -0.043 0.000 1.073 47 L CA 0.487 55.273 54.840 -0.090 0.000 1.361 47 L CB -0.841 41.203 42.059 -0.026 0.000 2.544 47 L HN 0.206 nan 8.230 nan 0.000 0.561 48 L N 1.027 122.242 121.223 -0.015 0.000 2.027 48 L HA -0.098 4.242 4.340 0.000 0.000 0.206 48 L C 2.475 179.339 176.870 -0.010 0.000 1.074 48 L CA 1.486 56.325 54.840 -0.001 0.000 0.745 48 L CB -1.007 41.059 42.059 0.012 0.000 0.898 48 L HN 0.298 nan 8.230 nan 0.000 0.433 49 K N 0.203 120.591 120.400 -0.020 0.000 2.062 49 K HA -0.097 4.223 4.320 0.000 0.000 0.205 49 K C -0.268 176.317 176.600 -0.026 0.000 1.051 49 K CA 0.934 57.210 56.287 -0.020 0.000 0.941 49 K CB -0.948 31.538 32.500 -0.024 0.000 0.719 49 K HN 0.168 nan 8.250 nan 0.000 0.440 50 P HA -0.092 nan 4.420 nan 0.000 0.214 50 P C 1.333 178.613 177.300 -0.032 0.000 1.162 50 P CA 1.054 64.123 63.100 -0.053 0.000 0.879 50 P CB 0.019 31.661 31.700 -0.096 0.000 0.786 51 L N -1.621 119.584 121.223 -0.030 0.000 2.633 51 L HA -0.113 4.227 4.340 0.000 0.000 0.235 51 L C 1.983 178.861 176.870 0.014 0.000 1.163 51 L CA 0.118 54.956 54.840 -0.004 0.000 0.859 51 L CB -0.561 41.502 42.059 0.006 0.000 0.973 51 L HN 0.046 nan 8.230 nan 0.000 0.451 52 L N 0.758 121.985 121.223 0.007 0.000 1.909 52 L HA -0.213 4.127 4.340 0.000 0.000 0.216 52 L C 1.981 178.866 176.870 0.023 0.000 1.097 52 L CA 2.528 57.377 54.840 0.014 0.000 0.777 52 L CB -0.466 41.597 42.059 0.007 0.000 0.887 52 L HN 0.389 nan 8.230 nan 0.000 0.432 53 D N -2.386 118.025 120.400 0.019 0.000 2.183 53 D HA -0.155 4.485 4.640 0.000 0.000 0.205 53 D C 1.438 177.763 176.300 0.041 0.000 0.962 53 D CA 0.858 54.874 54.000 0.026 0.000 0.849 53 D CB -0.515 40.295 40.800 0.016 0.000 0.978 53 D HN 0.393 nan 8.370 nan 0.000 0.488 54 D N -0.051 120.367 120.400 0.029 0.000 2.352 54 D HA 0.075 4.715 4.640 0.000 0.000 0.232 54 D C 2.075 178.404 176.300 0.048 0.000 1.055 54 D CA 0.556 54.577 54.000 0.035 0.000 0.891 54 D CB -0.268 40.535 40.800 0.005 0.000 0.897 54 D HN 0.255 nan 8.370 nan 0.000 0.529 55 G N 0.663 109.499 108.800 0.060 0.000 2.672 55 G HA2 -0.311 3.649 3.960 0.000 0.000 0.218 55 G HA3 -0.311 3.649 3.960 0.000 0.000 0.218 55 G C 0.660 175.618 174.900 0.096 0.000 1.238 55 G CA 0.266 45.408 45.100 0.070 0.000 0.791 55 G HN 0.416 nan 8.290 nan 0.000 0.606 56 F N 1.955 121.909 119.950 0.005 0.000 2.652 56 F HA 0.499 5.026 4.527 0.000 0.000 0.352 56 F C 1.135 176.937 175.800 0.004 0.000 1.259 56 F CA -0.062 57.942 58.000 0.007 0.000 1.249 56 F CB 0.231 39.235 39.000 0.007 0.000 1.628 56 F HN 0.147 nan 8.300 nan 0.000 0.654 57 G N 2.799 111.591 108.800 -0.014 0.000 4.476 57 G HA2 -0.019 3.941 3.960 0.000 0.000 0.169 57 G HA3 -0.019 3.941 3.960 0.000 0.000 0.169 57 G C 0.547 175.413 174.900 -0.057 0.000 0.802 57 G CA -0.351 44.748 45.100 -0.001 0.000 0.782 57 G HN 0.210 nan 8.290 nan 0.000 0.461 58 K N 1.532 121.889 120.400 -0.071 0.000 2.533 58 K HA 0.173 4.493 4.320 0.000 0.000 0.202 58 K C 0.842 177.405 176.600 -0.062 0.000 1.096 58 K CA 0.341 56.596 56.287 -0.054 0.000 1.056 58 K CB 0.645 33.125 32.500 -0.034 0.000 0.890 58 K HN 0.345 nan 8.250 nan 0.000 0.552 59 T N -0.370 114.100 114.554 -0.141 0.000 4.216 59 T HA 0.080 4.430 4.350 0.000 0.000 0.221 59 T C 0.278 174.911 174.700 -0.112 0.000 0.939 59 T CA 0.494 62.507 62.100 -0.146 0.000 1.218 59 T CB 0.058 68.750 68.868 -0.294 0.000 1.266 59 T HN 0.209 nan 8.240 nan 0.000 0.917 60 D N 1.924 122.300 120.400 -0.040 0.000 1.948 60 D HA -0.141 4.499 4.640 0.000 0.000 0.034 60 D C 1.673 177.991 176.300 0.031 0.000 1.448 60 D CA 0.183 54.172 54.000 -0.018 0.000 0.627 60 D CB -0.486 40.290 40.800 -0.039 0.000 3.227 60 D HN 0.455 nan 8.370 nan 0.000 0.192 61 R N 1.608 122.138 120.500 0.049 0.000 2.088 61 R HA -0.019 4.321 4.340 0.000 0.000 0.232 61 R C 2.290 178.739 176.300 0.247 0.000 1.136 61 R CA 2.412 58.580 56.100 0.112 0.000 0.926 61 R CB -1.067 29.299 30.300 0.111 0.000 0.837 61 R HN 0.128 nan 8.270 nan 0.000 0.429 62 S N 0.494 116.333 115.700 0.232 0.000 2.349 62 S HA -0.131 4.339 4.470 0.000 0.000 0.216 62 S C 2.111 176.908 174.600 0.327 0.000 1.033 62 S CA 1.468 59.849 58.200 0.303 0.000 1.021 62 S CB -0.455 62.761 63.200 0.026 0.000 0.968 62 S HN 0.240 nan 8.310 nan 0.000 0.426 63 V N 2.370 122.371 119.914 0.145 0.000 2.225 63 V HA -0.269 3.851 4.120 0.000 0.000 0.252 63 V C 2.445 178.613 176.094 0.124 0.000 1.055 63 V CA 2.568 64.934 62.300 0.109 0.000 1.032 63 V CB -0.907 30.943 31.823 0.046 0.000 0.655 63 V HN 0.605 nan 8.190 nan 0.000 0.458 64 L N -1.141 120.132 121.223 0.083 0.000 1.943 64 L HA -0.204 4.136 4.340 0.000 0.000 0.215 64 L C 2.363 179.247 176.870 0.024 0.000 1.074 64 L CA 2.031 56.898 54.840 0.045 0.000 0.759 64 L CB -0.383 41.686 42.059 0.016 0.000 0.888 64 L HN 0.393 nan 8.230 nan 0.000 0.433 65 L N -1.187 120.030 121.223 -0.009 0.000 2.353 65 L HA -0.194 4.146 4.340 0.000 0.000 0.220 65 L C 1.364 178.022 176.870 -0.355 0.000 1.133 65 L CA 1.680 56.403 54.840 -0.194 0.000 0.798 65 L CB -0.547 41.339 42.059 -0.289 0.000 0.922 65 L HN 0.338 nan 8.230 nan 0.000 0.445 66 W N -2.236 119.068 121.300 0.006 0.000 3.220 66 W HA 0.200 4.860 4.660 0.000 0.000 0.328 66 W C 2.098 178.627 176.519 0.017 0.000 1.205 66 W CA -0.031 57.323 57.345 0.015 0.000 1.773 66 W CB -0.212 29.258 29.460 0.017 0.000 1.086 66 W HN 0.064 nan 8.180 nan 0.000 0.622 67 M N 1.800 121.487 119.600 0.145 0.000 2.099 67 M HA -0.052 4.428 4.480 0.000 0.000 0.262 67 M C -1.092 175.244 176.300 0.060 0.000 1.067 67 M CA 1.907 57.265 55.300 0.095 0.000 1.124 67 M CB -1.159 31.476 32.600 0.059 0.000 1.353 67 M HN -0.254 nan 8.290 nan 0.000 0.410 68 P HA -0.061 nan 4.420 nan 0.000 0.234 68 P C 1.131 178.434 177.300 0.005 0.000 1.167 68 P CA 0.803 63.900 63.100 -0.005 0.000 0.763 68 P CB -0.034 31.641 31.700 -0.041 0.000 0.835 69 L N -1.508 119.739 121.223 0.039 0.000 2.529 69 L HA 0.094 4.434 4.340 0.000 0.000 0.223 69 L C 1.899 178.842 176.870 0.122 0.000 1.113 69 L CA 0.930 55.818 54.840 0.082 0.000 0.861 69 L CB -0.675 41.474 42.059 0.150 0.000 1.012 69 L HN -0.179 nan 8.230 nan 0.000 0.461 70 V N -1.607 118.377 119.914 0.116 0.000 2.379 70 V HA -0.130 3.990 4.120 0.000 0.000 0.243 70 V C 2.229 178.360 176.094 0.061 0.000 1.035 70 V CA 1.610 63.971 62.300 0.101 0.000 1.035 70 V CB 0.363 32.244 31.823 0.096 0.000 0.673 70 V HN 0.199 nan 8.190 nan 0.000 0.457 71 V N 0.332 120.273 119.914 0.045 0.000 2.490 71 V HA -0.192 3.929 4.120 0.000 0.000 0.250 71 V C 2.255 178.358 176.094 0.015 0.000 1.061 71 V CA 1.979 64.294 62.300 0.025 0.000 1.064 71 V CB -0.533 31.300 31.823 0.016 0.000 0.670 71 V HN 0.467 nan 8.190 nan 0.000 0.461 72 I N 1.052 121.632 120.570 0.015 0.000 2.494 72 I HA 0.076 4.246 4.170 0.000 0.000 0.250 72 I C 2.592 178.711 176.117 0.002 0.000 1.112 72 I CA 1.257 62.558 61.300 0.002 0.000 1.438 72 I CB -1.616 36.380 38.000 -0.007 0.000 1.111 72 I HN 0.223 nan 8.210 nan 0.000 0.431 73 G N 0.775 109.588 108.800 0.022 0.000 2.476 73 G HA2 -0.253 3.707 3.960 0.000 0.000 0.218 73 G HA3 -0.253 3.707 3.960 0.000 0.000 0.218 73 G C 1.793 176.693 174.900 0.001 0.000 1.164 73 G CA 1.122 46.229 45.100 0.011 0.000 0.768 73 G HN 0.354 nan 8.290 nan 0.000 0.560 74 L N -0.563 120.672 121.223 0.020 0.000 1.982 74 L HA 0.002 4.342 4.340 0.000 0.000 0.206 74 L C 3.002 179.876 176.870 0.007 0.000 1.078 74 L CA 1.012 55.862 54.840 0.017 0.000 0.749 74 L CB -0.218 41.858 42.059 0.027 0.000 0.894 74 L HN 0.095 nan 8.230 nan 0.000 0.436 75 M N 0.053 119.656 119.600 0.005 0.000 2.226 75 M HA -0.315 4.165 4.480 0.000 0.000 0.257 75 M C 2.297 178.593 176.300 -0.007 0.000 1.070 75 M CA 1.931 57.229 55.300 -0.003 0.000 1.087 75 M CB -1.457 31.138 32.600 -0.008 0.000 1.278 75 M HN 0.247 nan 8.290 nan 0.000 0.426 76 I N 0.179 120.741 120.570 -0.013 0.000 2.032 76 I HA -0.322 3.848 4.170 0.000 0.000 0.231 76 I C 2.628 178.735 176.117 -0.017 0.000 1.035 76 I CA 1.646 62.934 61.300 -0.020 0.000 1.312 76 I CB -1.448 36.534 38.000 -0.030 0.000 1.041 76 I HN 0.318 nan 8.210 nan 0.000 0.390 77 L N -0.380 120.826 121.223 -0.029 0.000 1.961 77 L HA -0.257 4.083 4.340 0.000 0.000 0.210 77 L C 2.764 179.632 176.870 -0.004 0.000 1.072 77 L CA 1.502 56.325 54.840 -0.030 0.000 0.749 77 L CB -0.769 41.253 42.059 -0.062 0.000 0.889 77 L HN 0.222 nan 8.230 nan 0.000 0.432 78 R N 0.501 121.003 120.500 0.003 0.000 2.113 78 R HA -0.158 4.182 4.340 0.000 0.000 0.231 78 R C 2.165 178.483 176.300 0.031 0.000 1.129 78 R CA 2.061 58.172 56.100 0.019 0.000 0.915 78 R CB -1.342 28.971 30.300 0.021 0.000 0.837 78 R HN 0.378 nan 8.270 nan 0.000 0.430 79 G N 0.211 109.027 108.800 0.026 0.000 2.514 79 G HA2 -0.275 3.685 3.960 0.000 0.000 0.217 79 G HA3 -0.275 3.685 3.960 0.000 0.000 0.217 79 G C 1.435 176.373 174.900 0.063 0.000 1.198 79 G CA 1.244 46.364 45.100 0.033 0.000 0.780 79 G HN 0.330 nan 8.290 nan 0.000 0.565 80 I N 1.030 121.630 120.570 0.050 0.000 2.361 80 I HA -0.092 4.078 4.170 0.000 0.000 0.251 80 I C 2.909 179.092 176.117 0.109 0.000 1.133 80 I CA 1.460 62.813 61.300 0.089 0.000 1.413 80 I CB -0.303 37.721 38.000 0.040 0.000 1.073 80 I HN 0.094 nan 8.210 nan 0.000 0.424 81 T N -1.360 113.235 114.554 0.068 0.000 2.942 81 T HA -0.114 4.236 4.350 0.000 0.000 0.265 81 T C 2.135 176.882 174.700 0.079 0.000 1.062 81 T CA 1.404 63.539 62.100 0.058 0.000 1.139 81 T CB -0.137 68.751 68.868 0.033 0.000 0.883 81 T HN 0.316 nan 8.240 nan 0.000 0.468 82 S N 0.418 116.174 115.700 0.094 0.000 2.368 82 S HA -0.123 4.347 4.470 0.000 0.000 0.224 82 S C 1.774 176.463 174.600 0.148 0.000 1.029 82 S CA 0.824 59.084 58.200 0.101 0.000 0.988 82 S CB -0.420 62.835 63.200 0.092 0.000 0.838 82 S HN 0.645 nan 8.310 nan 0.000 0.462 83 Y N 0.972 121.300 120.300 0.047 0.000 2.583 83 Y HA 0.248 4.798 4.550 0.000 0.000 0.293 83 Y C 1.435 177.413 175.900 0.131 0.000 1.157 83 Y CA 0.350 58.491 58.100 0.069 0.000 1.315 83 Y CB -0.031 38.446 38.460 0.029 0.000 1.021 83 Y HN 0.257 nan 8.280 nan 0.000 0.536 84 I N -1.281 119.309 120.570 0.033 0.000 2.585 84 I HA -0.119 4.051 4.170 0.000 0.000 0.254 84 I C 2.211 178.443 176.117 0.192 0.000 1.129 84 I CA 0.817 62.169 61.300 0.088 0.000 1.455 84 I CB -1.142 36.899 38.000 0.069 0.000 1.111 84 I HN 0.144 nan 8.210 nan 0.000 0.433 85 S N 1.044 116.792 115.700 0.081 0.000 2.335 85 S HA -0.111 4.359 4.470 0.000 0.000 0.216 85 S C 2.234 176.832 174.600 -0.003 0.000 1.032 85 S CA 1.658 59.880 58.200 0.037 0.000 1.000 85 S CB -0.204 63.020 63.200 0.039 0.000 0.928 85 S HN 0.361 nan 8.310 nan 0.000 0.434 86 S N 1.195 116.905 115.700 0.017 0.000 2.365 86 S HA -0.192 4.278 4.470 0.000 0.000 0.225 86 S C 1.643 176.212 174.600 -0.051 0.000 1.039 86 S CA 1.809 60.013 58.200 0.007 0.000 1.033 86 S CB -0.759 62.478 63.200 0.061 0.000 0.887 86 S HN 0.627 nan 8.310 nan 0.000 0.447 87 Y N 1.545 121.720 120.300 -0.209 0.000 1.956 87 Y HA -0.346 4.204 4.550 0.000 0.000 0.258 87 Y C 2.584 178.408 175.900 -0.126 0.000 1.152 87 Y CA 1.429 59.349 58.100 -0.300 0.000 1.093 87 Y CB -1.269 36.828 38.460 -0.605 0.000 0.945 87 Y HN 0.282 nan 8.280 nan 0.000 0.488 88 C N 0.401 118.907 119.300 -1.323 0.000 2.448 88 C HA -0.008 4.452 4.460 0.000 0.000 0.280 88 C C 2.860 177.683 174.990 -0.278 0.000 1.398 88 C CA 0.695 59.092 59.018 -1.036 0.000 1.774 88 C CB -1.899 25.330 27.740 -0.852 0.000 1.888 88 C HN 0.788 nan 8.230 nan 0.000 0.519 89 I N 0.029 120.500 120.570 -0.165 0.000 2.235 89 I HA -0.111 4.059 4.170 0.000 0.000 0.241 89 I C 2.416 178.517 176.117 -0.028 0.000 1.085 89 I CA 1.431 62.702 61.300 -0.047 0.000 1.378 89 I CB -0.174 37.809 38.000 -0.028 0.000 1.076 89 I HN 0.126 nan 8.210 nan 0.000 0.415 90 S N 0.410 116.088 115.700 -0.037 0.000 2.383 90 S HA -0.278 4.192 4.470 0.000 0.000 0.229 90 S C 1.427 176.007 174.600 -0.032 0.000 1.030 90 S CA 1.924 60.104 58.200 -0.033 0.000 1.002 90 S CB -0.639 62.553 63.200 -0.013 0.000 0.829 90 S HN 0.738 nan 8.310 nan 0.000 0.467 91 W N 1.767 122.936 121.300 -0.218 0.000 2.354 91 W HA -0.148 4.512 4.660 0.000 0.000 0.315 91 W C 2.247 178.602 176.519 -0.273 0.000 1.206 91 W CA 1.263 58.468 57.345 -0.234 0.000 1.290 91 W CB -0.772 28.530 29.460 -0.264 0.000 1.152 91 W HN 0.062 nan 8.180 nan 0.000 0.489 92 V N 1.308 121.274 119.914 0.086 0.000 2.469 92 V HA -0.311 3.809 4.120 0.000 0.000 0.251 92 V C 2.444 178.292 176.094 -0.411 0.000 1.064 92 V CA 3.071 65.261 62.300 -0.182 0.000 1.066 92 V CB -1.014 30.891 31.823 0.136 0.000 0.667 92 V HN 0.449 nan 8.190 nan 0.000 0.461 93 S N 0.026 115.562 115.700 -0.274 0.000 2.325 93 S HA 0.014 4.484 4.470 0.000 0.000 0.214 93 S C 2.236 176.622 174.600 -0.357 0.000 1.031 93 S CA 1.164 59.210 58.200 -0.258 0.000 0.972 93 S CB -1.327 61.777 63.200 -0.159 0.000 0.908 93 S HN 0.695 nan 8.310 nan 0.000 0.453 94 G N 2.028 110.622 108.800 -0.343 0.000 2.545 94 G HA2 -0.293 3.667 3.960 0.000 0.000 0.222 94 G HA3 -0.293 3.667 3.960 0.000 0.000 0.222 94 G C 1.568 176.180 174.900 -0.480 0.000 1.126 94 G CA 1.513 46.406 45.100 -0.345 0.000 0.754 94 G HN 0.503 nan 8.290 nan 0.000 0.583 95 K N -0.363 119.549 120.400 -0.815 0.000 2.044 95 K HA 0.168 4.489 4.320 0.000 0.000 0.204 95 K C 2.511 178.636 176.600 -0.792 0.000 1.049 95 K CA 0.585 56.245 56.287 -1.046 0.000 0.945 95 K CB -1.014 30.229 32.500 -2.094 0.000 0.724 95 K HN 0.131 nan 8.250 nan 0.000 0.440 96 V N 0.512 119.984 119.914 -0.737 0.000 2.469 96 V HA -0.182 3.938 4.120 0.000 0.000 0.251 96 V C 1.949 177.946 176.094 -0.162 0.000 1.064 96 V CA 1.862 64.009 62.300 -0.255 0.000 1.066 96 V CB -0.091 31.651 31.823 -0.136 0.000 0.667 96 V HN 0.186 nan 8.190 nan 0.000 0.461 97 V N -0.218 119.567 119.914 -0.214 0.000 2.239 97 V HA -0.223 3.897 4.120 0.000 0.000 0.242 97 V C 2.392 178.412 176.094 -0.123 0.000 1.038 97 V CA 2.677 64.886 62.300 -0.151 0.000 1.002 97 V CB -0.232 31.493 31.823 -0.163 0.000 0.641 97 V HN 0.549 nan 8.190 nan 0.000 0.449 98 M N 0.258 119.763 119.600 -0.158 0.000 2.267 98 M HA -0.104 4.376 4.480 0.000 0.000 0.263 98 M C 2.219 178.469 176.300 -0.082 0.000 1.063 98 M CA 2.283 57.510 55.300 -0.122 0.000 1.090 98 M CB -1.139 31.372 32.600 -0.147 0.000 1.392 98 M HN 0.512 nan 8.290 nan 0.000 0.422 99 T N -1.160 113.349 114.554 -0.076 0.000 3.023 99 T HA -0.052 4.298 4.350 0.000 0.000 0.266 99 T C 1.614 176.328 174.700 0.023 0.000 1.093 99 T CA 0.903 63.005 62.100 0.004 0.000 1.129 99 T CB -0.005 68.925 68.868 0.103 0.000 0.899 99 T HN 0.272 nan 8.240 nan 0.000 0.491 100 M N 2.256 121.859 119.600 0.005 0.000 2.062 100 M HA 0.037 4.517 4.480 0.000 0.000 0.259 100 M C 2.296 178.623 176.300 0.046 0.000 1.076 100 M CA 1.725 57.042 55.300 0.029 0.000 1.122 100 M CB -0.416 32.187 32.600 0.005 0.000 1.312 100 M HN 0.208 nan 8.290 nan 0.000 0.412 101 R N -0.239 120.276 120.500 0.026 0.000 2.159 101 R HA -0.202 4.138 4.340 0.000 0.000 0.237 101 R C 2.302 178.654 176.300 0.086 0.000 1.131 101 R CA 1.811 57.944 56.100 0.055 0.000 0.982 101 R CB -1.087 29.226 30.300 0.020 0.000 0.868 101 R HN 0.487 nan 8.270 nan 0.000 0.453 102 R N 1.286 121.813 120.500 0.044 0.000 2.062 102 R HA -0.102 4.238 4.340 0.000 0.000 0.231 102 R C 2.485 178.869 176.300 0.141 0.000 1.136 102 R CA 1.621 57.749 56.100 0.047 0.000 0.948 102 R CB -0.235 30.068 30.300 0.004 0.000 0.845 102 R HN 0.238 nan 8.270 nan 0.000 0.430 103 R N 0.324 120.890 120.500 0.110 0.000 2.105 103 R HA -0.102 4.238 4.340 0.000 0.000 0.239 103 R C 2.243 178.648 176.300 0.173 0.000 1.135 103 R CA 1.485 57.657 56.100 0.120 0.000 0.967 103 R CB -0.183 30.160 30.300 0.071 0.000 0.861 103 R HN 0.285 nan 8.270 nan 0.000 0.442 104 L N -0.615 120.720 121.223 0.185 0.000 2.007 104 L HA -0.143 4.197 4.340 0.000 0.000 0.205 104 L C 2.204 179.235 176.870 0.268 0.000 1.073 104 L CA 1.241 56.216 54.840 0.225 0.000 0.744 104 L CB -0.791 41.380 42.059 0.187 0.000 0.898 104 L HN 0.173 nan 8.230 nan 0.000 0.435 105 F N 1.318 121.332 119.950 0.107 0.000 2.054 105 F HA -0.348 4.179 4.527 0.000 0.000 0.294 105 F C 2.242 178.108 175.800 0.109 0.000 1.126 105 F CA 2.157 60.215 58.000 0.097 0.000 1.226 105 F CB -0.947 38.091 39.000 0.063 0.000 0.947 105 F HN 0.052 nan 8.300 nan 0.000 0.509 106 G N -1.630 107.365 108.800 0.326 0.000 2.491 106 G HA2 -0.412 3.548 3.960 0.000 0.000 0.218 106 G HA3 -0.412 3.548 3.960 0.000 0.000 0.218 106 G C 1.436 176.385 174.900 0.082 0.000 1.180 106 G CA 1.300 46.496 45.100 0.160 0.000 0.774 106 G HN 0.651 nan 8.290 nan 0.000 0.562 107 H N 0.214 119.317 119.070 0.055 0.000 2.352 107 H HA -0.028 4.528 4.556 0.000 0.000 0.299 107 H C 2.615 177.964 175.328 0.035 0.000 1.097 107 H CA 1.891 57.957 56.048 0.030 0.000 1.311 107 H CB -0.182 29.597 29.762 0.029 0.000 1.377 107 H HN 0.186 nan 8.280 nan 0.000 0.504 108 M N 0.161 119.721 119.600 -0.067 0.000 2.110 108 M HA -0.238 4.242 4.480 0.000 0.000 0.257 108 M C 2.505 178.868 176.300 0.106 0.000 1.071 108 M CA 2.293 57.579 55.300 -0.023 0.000 1.096 108 M CB -0.870 31.763 32.600 0.054 0.000 1.300 108 M HN 0.648 nan 8.290 nan 0.000 0.411 109 M N -1.196 118.408 119.600 0.008 0.000 2.630 109 M HA 0.110 4.590 4.480 0.000 0.000 0.254 109 M C 1.380 177.691 176.300 0.017 0.000 1.092 109 M CA 1.545 56.862 55.300 0.029 0.000 1.087 109 M CB -0.785 31.713 32.600 -0.170 0.000 1.453 109 M HN 0.147 nan 8.290 nan 0.000 0.509 110 G N 1.034 109.805 108.800 -0.048 0.000 3.181 110 G HA2 0.201 4.161 3.960 0.000 0.000 0.219 110 G HA3 0.201 4.161 3.960 0.000 0.000 0.219 110 G C 0.631 175.469 174.900 -0.103 0.000 1.182 110 G CA -0.295 44.771 45.100 -0.057 0.000 0.791 110 G HN 0.380 nan 8.290 nan 0.000 0.537 111 M N 1.283 120.860 119.600 -0.040 0.000 3.462 111 M HA 0.254 4.734 4.480 0.000 0.000 0.219 111 M C -2.632 173.774 176.300 0.176 0.000 1.207 111 M CA -2.212 53.048 55.300 -0.068 0.000 1.284 111 M CB 0.125 32.620 32.600 -0.174 0.000 1.160 111 M HN -0.148 nan 8.290 nan 0.000 0.598 112 P HA 0.014 nan 4.420 nan 0.000 0.271 112 P C 0.679 178.050 177.300 0.119 0.000 1.212 112 P CA 0.357 63.526 63.100 0.116 0.000 0.788 112 P CB 0.838 32.558 31.700 0.034 0.000 0.865 113 V N 0.314 120.268 119.914 0.067 0.000 3.464 113 V HA -0.259 3.861 4.120 0.000 0.000 0.494 113 V C 1.414 177.542 176.094 0.058 0.000 0.698 113 V CA 0.675 62.915 62.300 -0.099 0.000 2.220 113 V CB -1.532 30.244 31.823 -0.077 0.000 2.347 113 V HN 0.725 nan 8.190 nan 0.000 0.485 114 A N 0.020 122.863 122.820 0.038 0.000 2.285 114 A HA -0.103 4.217 4.320 0.000 0.000 0.214 114 A C 1.412 179.135 177.584 0.232 0.000 1.188 114 A CA 2.311 54.478 52.037 0.216 0.000 0.707 114 A CB -0.799 18.400 19.000 0.331 0.000 0.771 114 A HN 1.354 nan 8.150 nan 0.000 0.488 115 F N -0.377 119.594 119.950 0.036 0.000 2.026 115 F HA -0.249 4.278 4.527 0.000 0.000 0.296 115 F C 1.823 177.535 175.800 -0.148 0.000 1.133 115 F CA 1.954 59.889 58.000 -0.108 0.000 1.188 115 F CB -0.226 38.621 39.000 -0.254 0.000 0.968 115 F HN 0.302 nan 8.300 nan 0.000 0.476 116 F N 1.068 120.993 119.950 -0.043 0.000 2.373 116 F HA -0.209 4.318 4.527 0.000 0.000 0.300 116 F C 1.759 177.495 175.800 -0.107 0.000 1.080 116 F CA 1.321 59.226 58.000 -0.157 0.000 1.417 116 F CB -0.743 38.216 39.000 -0.069 0.000 1.070 116 F HN 0.090 nan 8.300 nan 0.000 0.546 117 D N -0.104 120.365 120.400 0.115 0.000 2.091 117 D HA -0.109 4.531 4.640 0.000 0.000 0.199 117 D C 2.193 178.502 176.300 0.014 0.000 0.980 117 D CA 0.937 54.988 54.000 0.084 0.000 0.831 117 D CB -0.131 40.758 40.800 0.149 0.000 0.987 117 D HN -0.078 nan 8.370 nan 0.000 0.460 118 K N 0.951 121.348 120.400 -0.006 0.000 1.965 118 K HA -0.076 4.244 4.320 0.000 0.000 0.220 118 K C 1.236 177.783 176.600 -0.087 0.000 1.046 118 K CA 0.989 57.256 56.287 -0.034 0.000 0.974 118 K CB -1.054 31.437 32.500 -0.014 0.000 0.738 118 K HN 0.360 nan 8.250 nan 0.000 0.444 119 Q N 1.457 121.148 119.800 -0.181 0.000 2.306 119 Q HA 0.124 4.464 4.340 0.000 0.000 0.241 119 Q C -0.172 175.731 176.000 -0.161 0.000 0.948 119 Q CA -0.070 55.628 55.803 -0.175 0.000 0.886 119 Q CB 1.132 29.738 28.738 -0.221 0.000 1.227 119 Q HN 0.076 nan 8.270 nan 0.000 0.457 120 S N 1.020 116.657 115.700 -0.104 0.000 2.552 120 S HA -0.036 4.434 4.470 0.000 0.000 0.289 120 S C 1.393 175.945 174.600 -0.079 0.000 1.304 120 S CA 0.398 58.556 58.200 -0.070 0.000 1.063 120 S CB 0.228 63.401 63.200 -0.045 0.000 0.848 120 S HN 0.759 nan 8.310 nan 0.000 0.499 121 T N 3.119 117.648 114.554 -0.042 0.000 2.803 121 T HA -0.082 4.269 4.350 0.000 0.000 0.269 121 T C 2.001 176.693 174.700 -0.014 0.000 1.052 121 T CA 1.506 63.598 62.100 -0.014 0.000 1.136 121 T CB -1.133 67.750 68.868 0.025 0.000 0.864 121 T HN 0.756 nan 8.240 nan 0.000 0.467 122 G N 1.870 110.662 108.800 -0.013 0.000 2.476 122 G HA2 -0.289 3.671 3.960 0.000 0.000 0.218 122 G HA3 -0.289 3.671 3.960 0.000 0.000 0.218 122 G C 1.924 176.818 174.900 -0.011 0.000 1.164 122 G CA 2.066 47.165 45.100 -0.002 0.000 0.768 122 G HN 0.733 nan 8.290 nan 0.000 0.560 123 T N 0.021 114.553 114.554 -0.037 0.000 2.720 123 T HA -0.049 4.301 4.350 0.000 0.000 0.268 123 T C 2.434 177.115 174.700 -0.031 0.000 1.037 123 T CA 1.384 63.458 62.100 -0.042 0.000 1.144 123 T CB -0.357 68.471 68.868 -0.068 0.000 0.864 123 T HN 0.218 nan 8.240 nan 0.000 0.444 124 L N 0.037 121.229 121.223 -0.052 0.000 1.994 124 L HA 0.050 4.390 4.340 0.000 0.000 0.208 124 L C 2.738 179.629 176.870 0.035 0.000 1.071 124 L CA 1.103 55.927 54.840 -0.027 0.000 0.745 124 L CB -0.904 41.113 42.059 -0.071 0.000 0.892 124 L HN 0.224 nan 8.230 nan 0.000 0.431 125 L N -0.091 121.157 121.223 0.042 0.000 1.997 125 L HA -0.313 4.027 4.340 0.000 0.000 0.216 125 L C 2.852 179.766 176.870 0.072 0.000 1.074 125 L CA 2.216 57.096 54.840 0.068 0.000 0.763 125 L CB -0.728 41.365 42.059 0.057 0.000 0.890 125 L HN 0.270 nan 8.230 nan 0.000 0.434 126 S N -1.221 114.511 115.700 0.054 0.000 2.359 126 S HA -0.308 4.162 4.470 0.000 0.000 0.222 126 S C 2.155 176.813 174.600 0.097 0.000 1.038 126 S CA 1.646 59.885 58.200 0.066 0.000 1.051 126 S CB -0.312 62.900 63.200 0.021 0.000 0.944 126 S HN 0.450 nan 8.310 nan 0.000 0.433 127 R N 0.955 121.501 120.500 0.076 0.000 2.159 127 R HA -0.114 4.226 4.340 0.000 0.000 0.249 127 R C 2.128 178.491 176.300 0.105 0.000 1.136 127 R CA 2.157 58.312 56.100 0.092 0.000 0.951 127 R CB -1.210 29.138 30.300 0.080 0.000 0.876 127 R HN 0.587 nan 8.270 nan 0.000 0.440 128 I N -0.372 120.262 120.570 0.106 0.000 2.045 128 I HA -0.384 3.786 4.170 0.000 0.000 0.233 128 I C 2.316 178.481 176.117 0.080 0.000 1.048 128 I CA 2.187 63.550 61.300 0.106 0.000 1.313 128 I CB -0.955 37.124 38.000 0.132 0.000 1.043 128 I HN 0.421 nan 8.210 nan 0.000 0.393 129 T N -0.491 114.114 114.554 0.085 0.000 2.469 129 T HA -0.371 3.979 4.350 0.000 0.000 0.254 129 T C 1.825 176.565 174.700 0.066 0.000 1.214 129 T CA 2.111 64.253 62.100 0.070 0.000 1.202 129 T CB -1.258 67.664 68.868 0.090 0.000 0.864 129 T HN 0.364 nan 8.240 nan 0.000 0.408 130 Y N 2.701 123.003 120.300 0.002 0.000 2.133 130 Y HA -0.066 4.484 4.550 0.000 0.000 0.287 130 Y C 2.296 178.187 175.900 -0.016 0.000 1.134 130 Y CA 1.967 60.063 58.100 -0.007 0.000 1.133 130 Y CB -0.654 37.803 38.460 -0.004 0.000 0.987 130 Y HN 0.248 nan 8.280 nan 0.000 0.502 131 D N -0.769 119.766 120.400 0.224 0.000 2.123 131 D HA -0.171 4.469 4.640 0.000 0.000 0.196 131 D C 2.354 178.647 176.300 -0.011 0.000 0.992 131 D CA 1.741 55.815 54.000 0.123 0.000 0.833 131 D CB -0.452 40.416 40.800 0.113 0.000 0.954 131 D HN 0.286 nan 8.370 nan 0.000 0.455 132 S N 0.595 116.286 115.700 -0.016 0.000 2.348 132 S HA -0.146 4.324 4.470 0.000 0.000 0.221 132 S C 1.758 176.289 174.600 -0.114 0.000 1.033 132 S CA 0.846 59.014 58.200 -0.052 0.000 1.010 132 S CB -0.176 63.008 63.200 -0.028 0.000 0.891 132 S HN 0.221 nan 8.310 nan 0.000 0.442 133 E N 1.256 121.364 120.200 -0.153 0.000 2.114 133 E HA -0.189 4.161 4.350 0.000 0.000 0.199 133 E C 2.293 178.758 176.600 -0.225 0.000 1.008 133 E CA 1.134 57.410 56.400 -0.207 0.000 0.810 133 E CB -0.363 29.168 29.700 -0.282 0.000 0.739 133 E HN 0.489 nan 8.360 nan 0.000 0.456 134 Q N 0.308 119.954 119.800 -0.257 0.000 1.948 134 Q HA -0.116 4.224 4.340 0.000 0.000 0.205 134 Q C 2.413 178.308 176.000 -0.176 0.000 0.992 134 Q CA 1.030 56.707 55.803 -0.210 0.000 0.849 134 Q CB -1.198 27.450 28.738 -0.150 0.000 0.918 134 Q HN 0.242 nan 8.270 nan 0.000 0.421 135 V N 1.338 121.151 119.914 -0.167 0.000 2.636 135 V HA -0.293 3.827 4.120 0.000 0.000 0.258 135 V C 2.067 178.052 176.094 -0.182 0.000 1.092 135 V CA 1.864 64.047 62.300 -0.195 0.000 1.110 135 V CB -0.792 30.914 31.823 -0.196 0.000 0.685 135 V HN 0.403 nan 8.190 nan 0.000 0.481 136 A N -0.703 122.020 122.820 -0.162 0.000 1.828 136 A HA -0.221 4.099 4.320 0.000 0.000 0.215 136 A C 2.563 180.063 177.584 -0.141 0.000 1.203 136 A CA 2.303 54.248 52.037 -0.152 0.000 0.614 136 A CB -1.374 17.534 19.000 -0.154 0.000 0.844 136 A HN 0.618 nan 8.150 nan 0.000 0.445 137 S N -0.449 115.169 115.700 -0.136 0.000 2.380 137 S HA -0.223 4.247 4.470 0.000 0.000 0.229 137 S C 2.337 176.875 174.600 -0.104 0.000 1.043 137 S CA 2.315 60.450 58.200 -0.109 0.000 1.038 137 S CB -0.643 62.495 63.200 -0.104 0.000 0.872 137 S HN 0.763 nan 8.310 nan 0.000 0.456 138 S N 0.444 116.050 115.700 -0.156 0.000 2.365 138 S HA -0.162 4.308 4.470 0.000 0.000 0.221 138 S C 2.133 176.632 174.600 -0.170 0.000 1.037 138 S CA 2.320 60.383 58.200 -0.227 0.000 1.060 138 S CB -1.336 61.611 63.200 -0.422 0.000 0.974 138 S HN 0.705 nan 8.310 nan 0.000 0.427 139 S N 0.965 116.569 115.700 -0.159 0.000 2.369 139 S HA -0.190 4.280 4.470 0.000 0.000 0.225 139 S C 2.144 176.751 174.600 0.012 0.000 1.043 139 S CA 2.625 60.792 58.200 -0.055 0.000 1.074 139 S CB -1.260 61.911 63.200 -0.049 0.000 0.962 139 S HN 0.894 nan 8.310 nan 0.000 0.433 140 S N 0.900 116.588 115.700 -0.019 0.000 2.436 140 S HA 0.091 4.561 4.470 0.000 0.000 0.208 140 S C 2.201 176.817 174.600 0.026 0.000 1.063 140 S CA 1.236 59.437 58.200 0.002 0.000 1.120 140 S CB -1.793 61.387 63.200 -0.034 0.000 1.053 140 S HN 0.699 nan 8.310 nan 0.000 0.407 141 G N 1.302 110.108 108.800 0.010 0.000 2.475 141 G HA2 0.002 3.962 3.960 0.000 0.000 0.220 141 G HA3 0.002 3.962 3.960 0.000 0.000 0.220 141 G C 1.595 176.528 174.900 0.054 0.000 1.125 141 G CA 1.233 46.347 45.100 0.023 0.000 0.755 141 G HN 0.906 nan 8.290 nan 0.000 0.565 142 A N 0.274 123.150 122.820 0.094 0.000 1.898 142 A HA 0.277 4.597 4.320 0.000 0.000 0.214 142 A C 2.393 180.097 177.584 0.199 0.000 1.183 142 A CA 0.833 52.984 52.037 0.190 0.000 0.622 142 A CB -0.310 18.923 19.000 0.388 0.000 0.824 142 A HN 0.318 nan 8.150 nan 0.000 0.444 143 L N 0.330 121.676 121.223 0.204 0.000 2.079 143 L HA -0.209 4.131 4.340 0.000 0.000 0.210 143 L C 2.641 179.566 176.870 0.092 0.000 1.081 143 L CA 1.701 56.642 54.840 0.169 0.000 0.752 143 L CB -0.701 41.462 42.059 0.174 0.000 0.896 143 L HN 0.694 nan 8.230 nan 0.000 0.433 144 I N -2.060 118.555 120.570 0.076 0.000 2.179 144 I HA -0.246 3.924 4.170 0.000 0.000 0.242 144 I C 2.558 178.694 176.117 0.032 0.000 1.088 144 I CA 2.027 63.356 61.300 0.049 0.000 1.357 144 I CB -0.958 37.065 38.000 0.039 0.000 1.051 144 I HN 0.245 nan 8.210 nan 0.000 0.409 145 T N -1.399 113.173 114.554 0.031 0.000 3.014 145 T HA 0.036 4.386 4.350 0.000 0.000 0.263 145 T C 1.917 176.611 174.700 -0.009 0.000 1.078 145 T CA 0.883 62.990 62.100 0.012 0.000 1.135 145 T CB -0.437 68.438 68.868 0.012 0.000 0.895 145 T HN 0.262 nan 8.240 nan 0.000 0.480 146 V N 1.047 120.950 119.914 -0.018 0.000 2.970 146 V HA 0.026 4.147 4.120 0.000 0.000 0.260 146 V C 2.198 178.258 176.094 -0.056 0.000 1.100 146 V CA 1.116 63.370 62.300 -0.078 0.000 1.122 146 V CB -0.231 31.489 31.823 -0.171 0.000 0.721 146 V HN 0.500 nan 8.190 nan 0.000 0.483 147 V N -0.309 119.593 119.914 -0.020 0.000 3.263 147 V HA 0.082 4.202 4.120 0.000 0.000 0.248 147 V C 2.293 178.382 176.094 -0.007 0.000 1.145 147 V CA 1.399 63.692 62.300 -0.012 0.000 1.107 147 V CB -0.267 31.559 31.823 0.006 0.000 0.797 147 V HN 0.500 nan 8.190 nan 0.000 0.467 148 R N 0.685 121.183 120.500 -0.003 0.000 2.052 148 R HA -0.069 4.271 4.340 0.000 0.000 0.224 148 R C 2.125 178.420 176.300 -0.009 0.000 1.165 148 R CA 1.341 57.439 56.100 -0.003 0.000 0.939 148 R CB -0.072 30.230 30.300 0.003 0.000 0.834 148 R HN 0.313 nan 8.270 nan 0.000 0.435 149 E N -0.111 120.083 120.200 -0.010 0.000 2.347 149 E HA -0.048 4.302 4.350 0.000 0.000 0.196 149 E C 1.680 178.274 176.600 -0.010 0.000 1.008 149 E CA 0.957 57.350 56.400 -0.011 0.000 0.852 149 E CB -0.035 29.658 29.700 -0.012 0.000 0.783 149 E HN 0.619 nan 8.360 nan 0.000 0.505 150 G N 1.141 109.932 108.800 -0.015 0.000 2.394 150 G HA2 -0.136 3.824 3.960 0.000 0.000 0.215 150 G HA3 -0.136 3.824 3.960 0.000 0.000 0.215 150 G C 1.656 176.560 174.900 0.007 0.000 1.165 150 G CA 0.780 45.874 45.100 -0.009 0.000 0.784 150 G HN 0.377 nan 8.290 nan 0.000 0.535 151 A N 0.328 123.142 122.820 -0.010 0.000 2.067 151 A HA 0.182 4.502 4.320 0.000 0.000 0.217 151 A C 2.501 180.056 177.584 -0.047 0.000 1.156 151 A CA 1.855 53.876 52.037 -0.027 0.000 0.683 151 A CB -0.439 18.545 19.000 -0.028 0.000 0.808 151 A HN 0.387 nan 8.150 nan 0.000 0.455 152 S N -0.357 115.325 115.700 -0.031 0.000 2.368 152 S HA -0.113 4.357 4.470 0.000 0.000 0.224 152 S C 1.759 176.338 174.600 -0.036 0.000 1.029 152 S CA 1.463 59.641 58.200 -0.038 0.000 0.988 152 S CB -0.375 62.811 63.200 -0.023 0.000 0.838 152 S HN 0.355 nan 8.310 nan 0.000 0.462 153 I N 1.667 122.242 120.570 0.008 0.000 2.394 153 I HA -0.009 4.161 4.170 0.000 0.000 0.251 153 I C 1.955 178.139 176.117 0.111 0.000 1.136 153 I CA 0.876 62.226 61.300 0.083 0.000 1.425 153 I CB -0.389 37.685 38.000 0.122 0.000 1.079 153 I HN 0.356 nan 8.210 nan 0.000 0.425 154 I N -0.181 120.370 120.570 -0.031 0.000 2.315 154 I HA -0.192 3.978 4.170 0.000 0.000 0.248 154 I C 2.525 178.147 176.117 -0.824 0.000 1.117 154 I CA 1.465 62.490 61.300 -0.457 0.000 1.404 154 I CB -0.939 36.954 38.000 -0.177 0.000 1.071 154 I HN 0.278 nan 8.210 nan 0.000 0.419 155 G N 0.956 109.529 108.800 -0.377 0.000 2.394 155 G HA2 -0.105 3.855 3.960 0.000 0.000 0.215 155 G HA3 -0.105 3.855 3.960 0.000 0.000 0.215 155 G C 1.602 176.345 174.900 -0.262 0.000 1.165 155 G CA 0.134 45.054 45.100 -0.300 0.000 0.784 155 G HN 0.133 nan 8.290 nan 0.000 0.535 156 L N 0.630 121.748 121.223 -0.176 0.000 2.141 156 L HA 0.047 4.387 4.340 0.000 0.000 0.209 156 L C 2.667 179.535 176.870 -0.004 0.000 1.094 156 L CA 1.315 56.102 54.840 -0.089 0.000 0.763 156 L CB -1.077 40.960 42.059 -0.036 0.000 0.908 156 L HN 0.484 nan 8.230 nan 0.000 0.437 157 F N -0.679 119.284 119.950 0.022 0.000 2.416 157 F HA 0.017 4.544 4.527 0.000 0.000 0.296 157 F C 2.190 178.098 175.800 0.180 0.000 1.099 157 F CA 0.526 58.569 58.000 0.071 0.000 1.427 157 F CB -0.946 38.095 39.000 0.067 0.000 1.079 157 F HN -0.089 nan 8.300 nan 0.000 0.536 158 I N -0.107 120.364 120.570 -0.165 0.000 2.928 158 I HA -0.093 4.077 4.170 0.000 0.000 0.266 158 I C 2.219 178.352 176.117 0.027 0.000 1.234 158 I CA 0.645 61.977 61.300 0.054 0.000 1.483 158 I CB -0.035 37.821 38.000 -0.240 0.000 1.097 158 I HN 0.389 nan 8.210 nan 0.000 0.455 159 M N 0.145 119.687 119.600 -0.097 0.000 2.115 159 M HA -0.143 4.337 4.480 0.000 0.000 0.261 159 M C 1.979 178.189 176.300 -0.149 0.000 1.079 159 M CA 1.558 56.719 55.300 -0.231 0.000 1.143 159 M CB 0.043 32.501 32.600 -0.236 0.000 1.332 159 M HN 0.094 nan 8.290 nan 0.000 0.421 160 M N -0.021 119.582 119.600 0.006 0.000 2.446 160 M HA -0.123 4.357 4.480 0.000 0.000 0.263 160 M C 1.860 178.262 176.300 0.171 0.000 1.066 160 M CA 1.138 56.506 55.300 0.113 0.000 1.087 160 M CB -1.554 31.098 32.600 0.086 0.000 1.406 160 M HN 0.318 nan 8.290 nan 0.000 0.459 161 F N 1.862 121.840 119.950 0.048 0.000 2.048 161 F HA -0.348 4.179 4.527 0.000 0.000 0.300 161 F C 2.520 178.450 175.800 0.217 0.000 1.221 161 F CA 2.599 60.696 58.000 0.162 0.000 1.214 161 F CB -1.040 38.124 39.000 0.275 0.000 0.941 161 F HN 0.247 nan 8.300 nan 0.000 0.531 162 Y N -2.336 118.377 120.300 0.688 0.000 2.365 162 Y HA -0.042 4.508 4.550 0.000 0.000 0.293 162 Y C 2.167 178.281 175.900 0.357 0.000 1.119 162 Y CA 0.536 58.921 58.100 0.474 0.000 1.203 162 Y CB -2.199 36.460 38.460 0.333 0.000 1.026 162 Y HN 0.328 nan 8.280 nan 0.000 0.549 163 Y N 1.757 121.954 120.300 -0.171 0.000 2.446 163 Y HA -0.104 4.446 4.550 0.000 0.000 0.287 163 Y C 0.830 176.785 175.900 0.092 0.000 1.159 163 Y CA 1.136 59.197 58.100 -0.065 0.000 1.297 163 Y CB 0.103 38.435 38.460 -0.213 0.000 0.974 163 Y HN 0.205 nan 8.280 nan 0.000 0.557 164 S N -0.691 115.115 115.700 0.177 0.000 2.751 164 S HA 0.024 4.494 4.470 0.000 0.000 0.148 164 S C 0.078 174.781 174.600 0.171 0.000 1.057 164 S CA -0.280 58.002 58.200 0.135 0.000 1.103 164 S CB -1.445 61.802 63.200 0.079 0.000 1.709 164 S HN 0.574 nan 8.310 nan 0.000 0.484 165 W N 2.861 124.186 121.300 0.042 0.000 2.336 165 W HA -0.193 4.467 4.660 0.000 0.000 0.277 165 W C 1.259 177.771 176.519 -0.011 0.000 1.211 165 W CA 1.694 59.051 57.345 0.021 0.000 1.187 165 W CB -0.034 29.456 29.460 0.050 0.000 1.132 165 W HN 0.469 nan 8.180 nan 0.000 0.562 166 Q N 0.668 119.840 119.800 -1.046 0.000 2.049 166 Q HA -0.096 4.244 4.340 0.000 0.000 0.198 166 Q C 2.264 177.981 176.000 -0.471 0.000 0.971 166 Q CA 1.312 56.478 55.803 -1.062 0.000 0.833 166 Q CB -0.719 27.442 28.738 -0.961 0.000 0.896 166 Q HN 0.398 nan 8.270 nan 0.000 0.434 167 L N 0.185 121.243 121.223 -0.275 0.000 2.395 167 L HA 0.030 4.370 4.340 0.000 0.000 0.218 167 L C 2.145 178.907 176.870 -0.180 0.000 1.130 167 L CA 0.864 55.603 54.840 -0.168 0.000 0.826 167 L CB -1.134 40.901 42.059 -0.039 0.000 0.941 167 L HN 0.143 nan 8.230 nan 0.000 0.451 168 S N -0.182 115.420 115.700 -0.163 0.000 2.522 168 S HA 0.042 4.512 4.470 0.000 0.000 0.227 168 S C 1.650 176.120 174.600 -0.218 0.000 0.986 168 S CA 0.190 58.298 58.200 -0.153 0.000 0.929 168 S CB -0.064 63.059 63.200 -0.127 0.000 0.769 168 S HN 0.400 nan 8.310 nan 0.000 0.529 169 I N 1.030 121.444 120.570 -0.261 0.000 3.735 169 I HA 0.086 4.256 4.170 0.000 0.000 0.310 169 I C 0.713 176.643 176.117 -0.311 0.000 1.270 169 I CA 0.025 61.175 61.300 -0.249 0.000 1.207 169 I CB 0.102 37.957 38.000 -0.243 0.000 1.013 169 I HN 0.313 nan 8.210 nan 0.000 0.452 170 I N -0.316 120.033 120.570 -0.369 0.000 3.445 170 I HA -0.002 4.168 4.170 0.000 0.000 0.288 170 I C 1.993 177.932 176.117 -0.296 0.000 1.198 170 I CA 0.816 61.812 61.300 -0.508 0.000 1.417 170 I CB -0.661 36.945 38.000 -0.658 0.000 1.205 170 I HN 0.156 nan 8.210 nan 0.000 0.448 171 L N 0.721 121.816 121.223 -0.213 0.000 2.093 171 L HA -0.058 4.282 4.340 0.000 0.000 0.208 171 L C 1.448 178.228 176.870 -0.150 0.000 1.085 171 L CA 1.121 55.874 54.840 -0.144 0.000 0.755 171 L CB 0.131 42.133 42.059 -0.095 0.000 0.904 171 L HN -0.037 nan 8.230 nan 0.000 0.435 172 V N -0.319 119.492 119.914 -0.171 0.000 3.544 172 V HA -0.013 4.107 4.120 0.000 0.000 0.304 172 V C 1.344 177.361 176.094 -0.128 0.000 1.256 172 V CA 0.346 62.556 62.300 -0.150 0.000 1.232 172 V CB 0.250 31.980 31.823 -0.155 0.000 1.065 172 V HN 0.328 nan 8.190 nan 0.000 0.423 173 V N -1.263 118.570 119.914 -0.136 0.000 3.368 173 V HA 0.227 4.347 4.120 0.000 0.000 0.255 173 V C 1.376 177.417 176.094 -0.089 0.000 1.466 173 V CA 0.440 62.673 62.300 -0.110 0.000 1.095 173 V CB 1.145 32.888 31.823 -0.134 0.000 0.899 173 V HN 0.441 nan 8.190 nan 0.000 0.440 174 L N 0.089 121.253 121.223 -0.099 0.000 2.575 174 L HA 0.445 4.785 4.340 0.000 0.000 0.228 174 L C 2.376 179.208 176.870 -0.063 0.000 1.075 174 L CA 1.455 56.253 54.840 -0.069 0.000 0.867 174 L CB -0.484 41.536 42.059 -0.063 0.000 1.097 174 L HN 0.204 nan 8.230 nan 0.000 0.485 175 A N 1.239 124.010 122.820 -0.081 0.000 1.902 175 A HA -0.067 4.253 4.320 0.000 0.000 0.217 175 A C -0.183 177.356 177.584 -0.075 0.000 1.181 175 A CA 1.895 53.882 52.037 -0.083 0.000 0.623 175 A CB -1.700 17.228 19.000 -0.120 0.000 0.818 175 A HN 0.340 nan 8.150 nan 0.000 0.443 176 P HA -0.014 nan 4.420 nan 0.000 0.225 176 P C 1.382 178.658 177.300 -0.041 0.000 1.156 176 P CA 0.744 63.809 63.100 -0.057 0.000 0.787 176 P CB -0.038 31.628 31.700 -0.057 0.000 0.802 177 I N -0.550 119.996 120.570 -0.039 0.000 2.480 177 I HA -0.105 4.065 4.170 0.000 0.000 0.251 177 I C 2.596 178.700 176.117 -0.021 0.000 1.124 177 I CA 0.701 61.985 61.300 -0.027 0.000 1.444 177 I CB -0.472 37.513 38.000 -0.025 0.000 1.098 177 I HN -0.171 nan 8.210 nan 0.000 0.428 178 V N -0.469 119.431 119.914 -0.024 0.000 2.548 178 V HA -0.224 3.896 4.120 0.000 0.000 0.249 178 V C 2.537 178.622 176.094 -0.014 0.000 1.055 178 V CA 2.262 64.553 62.300 -0.016 0.000 1.065 178 V CB 0.198 32.011 31.823 -0.016 0.000 0.681 178 V HN 0.456 nan 8.190 nan 0.000 0.462 179 S N -0.439 115.247 115.700 -0.024 0.000 2.383 179 S HA -0.096 4.374 4.470 0.000 0.000 0.227 179 S C 1.867 176.460 174.600 -0.011 0.000 1.026 179 S CA 1.613 59.799 58.200 -0.023 0.000 0.981 179 S CB -0.242 62.934 63.200 -0.039 0.000 0.818 179 S HN 0.529 nan 8.310 nan 0.000 0.472 180 I N 1.812 122.375 120.570 -0.011 0.000 2.333 180 I HA 0.060 4.230 4.170 0.000 0.000 0.246 180 I C 2.816 178.933 176.117 -0.001 0.000 1.106 180 I CA 1.133 62.430 61.300 -0.004 0.000 1.411 180 I CB -1.826 36.169 38.000 -0.008 0.000 1.082 180 I HN 0.360 nan 8.210 nan 0.000 0.420 181 A N 0.569 123.386 122.820 -0.005 0.000 1.972 181 A HA -0.178 4.142 4.320 0.000 0.000 0.219 181 A C 2.305 179.890 177.584 0.001 0.000 1.169 181 A CA 1.348 53.381 52.037 -0.005 0.000 0.635 181 A CB -0.609 18.387 19.000 -0.006 0.000 0.810 181 A HN 0.327 nan 8.150 nan 0.000 0.446 182 I N -1.288 119.290 120.570 0.012 0.000 2.480 182 I HA -0.012 4.158 4.170 0.000 0.000 0.251 182 I C 2.240 178.386 176.117 0.047 0.000 1.124 182 I CA 0.931 62.251 61.300 0.034 0.000 1.444 182 I CB -0.161 37.860 38.000 0.034 0.000 1.098 182 I HN 0.213 nan 8.210 nan 0.000 0.428 183 R N -0.027 120.493 120.500 0.035 0.000 2.096 183 R HA -0.099 4.241 4.340 0.000 0.000 0.235 183 R C 2.118 178.448 176.300 0.051 0.000 1.127 183 R CA 1.785 57.916 56.100 0.051 0.000 0.968 183 R CB -0.878 29.447 30.300 0.041 0.000 0.861 183 R HN 0.265 nan 8.270 nan 0.000 0.440 184 V N -0.675 119.251 119.914 0.020 0.000 2.270 184 V HA -0.198 3.922 4.120 0.000 0.000 0.245 184 V C 2.195 178.265 176.094 -0.040 0.000 1.043 184 V CA 1.774 64.073 62.300 -0.003 0.000 1.014 184 V CB -0.346 31.467 31.823 -0.017 0.000 0.645 184 V HN 0.155 nan 8.190 nan 0.000 0.447 185 V N -0.089 119.782 119.914 -0.071 0.000 2.546 185 V HA -0.268 3.852 4.120 0.000 0.000 0.254 185 V C 2.521 178.477 176.094 -0.230 0.000 1.076 185 V CA 2.247 64.413 62.300 -0.222 0.000 1.087 185 V CB -0.783 30.927 31.823 -0.189 0.000 0.674 185 V HN 0.537 nan 8.190 nan 0.000 0.470 186 S N -0.759 114.988 115.700 0.078 0.000 2.383 186 S HA -0.188 4.282 4.470 0.000 0.000 0.227 186 S C 2.030 176.759 174.600 0.215 0.000 1.026 186 S CA 1.419 59.795 58.200 0.293 0.000 0.981 186 S CB -0.209 63.137 63.200 0.243 0.000 0.818 186 S HN 0.505 nan 8.310 nan 0.000 0.472 187 K N 1.173 121.633 120.400 0.100 0.000 2.148 187 K HA 0.111 4.431 4.320 0.000 0.000 0.204 187 K C 2.119 178.746 176.600 0.045 0.000 1.050 187 K CA 0.686 57.022 56.287 0.083 0.000 0.942 187 K CB -0.033 32.497 32.500 0.051 0.000 0.724 187 K HN 0.090 nan 8.250 nan 0.000 0.446 188 R N -0.851 119.624 120.500 -0.041 0.000 2.276 188 R HA -0.007 4.333 4.340 0.000 0.000 0.203 188 R C 1.130 177.405 176.300 -0.042 0.000 1.017 188 R CA 0.586 56.635 56.100 -0.084 0.000 1.010 188 R CB 0.058 30.249 30.300 -0.181 0.000 0.900 188 R HN 0.102 nan 8.270 nan 0.000 0.469 189 F N 0.592 120.571 119.950 0.049 0.000 2.149 189 F HA 0.058 4.585 4.527 0.000 0.000 0.294 189 F C 2.247 178.081 175.800 0.055 0.000 1.095 189 F CA 0.994 59.027 58.000 0.055 0.000 1.276 189 F CB -0.369 38.675 39.000 0.073 0.000 1.023 189 F HN -0.103 nan 8.300 nan 0.000 0.480 190 R N -0.619 120.040 120.500 0.264 0.000 2.080 190 R HA -0.175 4.165 4.340 0.000 0.000 0.236 190 R C 2.475 178.840 176.300 0.107 0.000 1.137 190 R CA 1.724 57.919 56.100 0.159 0.000 0.943 190 R CB -1.050 29.326 30.300 0.128 0.000 0.846 190 R HN 0.170 nan 8.270 nan 0.000 0.431 191 S N 0.574 116.326 115.700 0.088 0.000 2.344 191 S HA -0.085 4.385 4.470 0.000 0.000 0.217 191 S C 1.987 176.621 174.600 0.057 0.000 1.033 191 S CA 1.018 59.251 58.200 0.054 0.000 1.017 191 S CB -0.111 63.108 63.200 0.032 0.000 0.941 191 S HN 0.140 nan 8.310 nan 0.000 0.430 192 I N 1.694 122.305 120.570 0.069 0.000 2.315 192 I HA -0.127 4.043 4.170 0.000 0.000 0.251 192 I C 2.611 178.775 176.117 0.079 0.000 1.125 192 I CA 1.413 62.754 61.300 0.068 0.000 1.392 192 I CB -1.795 36.257 38.000 0.086 0.000 1.065 192 I HN 0.360 nan 8.210 nan 0.000 0.424 193 S N 0.302 116.065 115.700 0.106 0.000 2.357 193 S HA -0.165 4.305 4.470 0.000 0.000 0.221 193 S C 2.139 176.776 174.600 0.062 0.000 1.031 193 S CA 1.029 59.284 58.200 0.093 0.000 0.982 193 S CB -0.085 63.176 63.200 0.102 0.000 0.853 193 S HN 0.294 nan 8.310 nan 0.000 0.458 194 K N 1.841 122.272 120.400 0.052 0.000 2.000 194 K HA -0.174 4.146 4.320 0.000 0.000 0.218 194 K C 1.728 178.335 176.600 0.011 0.000 1.053 194 K CA 2.099 58.405 56.287 0.031 0.000 0.946 194 K CB -1.024 31.493 32.500 0.027 0.000 0.723 194 K HN 0.405 nan 8.250 nan 0.000 0.446 195 N N 0.993 119.698 118.700 0.008 0.000 2.149 195 N HA -0.200 4.540 4.740 0.000 0.000 0.188 195 N C 1.905 177.397 175.510 -0.030 0.000 1.019 195 N CA 1.425 54.469 53.050 -0.011 0.000 0.857 195 N CB -0.337 38.146 38.487 -0.006 0.000 0.997 195 N HN 0.370 nan 8.380 nan 0.000 0.426 196 M N 1.139 120.728 119.600 -0.018 0.000 2.202 196 M HA -0.232 4.248 4.480 0.000 0.000 0.262 196 M C 1.809 178.037 176.300 -0.119 0.000 1.063 196 M CA 1.454 56.728 55.300 -0.043 0.000 1.097 196 M CB 0.071 32.675 32.600 0.007 0.000 1.382 196 M HN 0.159 nan 8.290 nan 0.000 0.413 197 Q N 0.165 119.912 119.800 -0.088 0.000 1.916 197 Q HA -0.163 4.177 4.340 0.000 0.000 0.203 197 Q C 1.663 177.563 176.000 -0.166 0.000 0.983 197 Q CA 2.100 57.813 55.803 -0.149 0.000 0.846 197 Q CB -0.551 28.178 28.738 -0.015 0.000 0.909 197 Q HN 0.659 nan 8.270 nan 0.000 0.427 198 N N -0.063 118.585 118.700 -0.087 0.000 2.111 198 N HA -0.227 4.513 4.740 0.000 0.000 0.197 198 N C 1.817 177.264 175.510 -0.105 0.000 1.011 198 N CA 1.656 54.660 53.050 -0.077 0.000 0.880 198 N CB -0.275 38.184 38.487 -0.047 0.000 1.031 198 N HN 0.234 nan 8.380 nan 0.000 0.444 199 T N 1.230 115.715 114.554 -0.115 0.000 2.607 199 T HA -0.205 4.145 4.350 0.000 0.000 0.267 199 T C 1.890 176.488 174.700 -0.171 0.000 1.049 199 T CA 1.420 63.444 62.100 -0.127 0.000 1.162 199 T CB -0.303 68.495 68.868 -0.118 0.000 0.863 199 T HN 0.176 nan 8.240 nan 0.000 0.424 200 M N 1.501 120.950 119.600 -0.252 0.000 2.144 200 M HA -0.020 4.460 4.480 0.000 0.000 0.260 200 M C 2.213 178.386 176.300 -0.211 0.000 1.067 200 M CA 1.721 56.830 55.300 -0.319 0.000 1.095 200 M CB -1.101 31.078 32.600 -0.701 0.000 1.365 200 M HN 0.274 nan 8.290 nan 0.000 0.406 201 G N -0.835 107.861 108.800 -0.174 0.000 2.446 201 G HA2 -0.250 3.710 3.960 0.000 0.000 0.217 201 G HA3 -0.250 3.710 3.960 0.000 0.000 0.217 201 G C 1.407 176.265 174.900 -0.070 0.000 1.168 201 G CA 0.880 45.924 45.100 -0.095 0.000 0.771 201 G HN 0.625 nan 8.290 nan 0.000 0.551 202 Q N -0.101 119.650 119.800 -0.082 0.000 2.124 202 Q HA -0.062 4.278 4.340 0.000 0.000 0.202 202 Q C 2.843 178.803 176.000 -0.068 0.000 0.977 202 Q CA 1.231 56.994 55.803 -0.066 0.000 0.850 202 Q CB -0.284 28.409 28.738 -0.074 0.000 0.901 202 Q HN 0.400 nan 8.270 nan 0.000 0.429 203 V N 0.890 120.739 119.914 -0.109 0.000 2.324 203 V HA -0.305 3.815 4.120 0.000 0.000 0.250 203 V C 2.190 178.296 176.094 0.020 0.000 1.060 203 V CA 2.242 64.463 62.300 -0.132 0.000 1.042 203 V CB -1.045 30.682 31.823 -0.160 0.000 0.650 203 V HN 0.433 nan 8.190 nan 0.000 0.450 204 T N -0.257 114.304 114.554 0.012 0.000 2.595 204 T HA -0.224 4.126 4.350 0.000 0.000 0.264 204 T C 1.982 176.716 174.700 0.057 0.000 1.058 204 T CA 2.287 64.417 62.100 0.049 0.000 1.166 204 T CB -0.574 68.308 68.868 0.023 0.000 0.863 204 T HN 0.571 nan 8.240 nan 0.000 0.415 205 T N 1.724 116.293 114.554 0.025 0.000 2.597 205 T HA -0.193 4.157 4.350 0.000 0.000 0.267 205 T C 2.255 176.986 174.700 0.052 0.000 1.053 205 T CA 1.812 63.926 62.100 0.023 0.000 1.165 205 T CB -0.766 68.103 68.868 0.000 0.000 0.863 205 T HN 0.392 nan 8.240 nan 0.000 0.427 206 S N 0.560 116.306 115.700 0.076 0.000 2.419 206 S HA -0.087 4.383 4.470 0.000 0.000 0.235 206 S C 2.214 176.927 174.600 0.188 0.000 1.019 206 S CA 1.310 59.591 58.200 0.136 0.000 0.982 206 S CB -0.447 62.854 63.200 0.168 0.000 0.789 206 S HN 0.550 nan 8.310 nan 0.000 0.490 207 A N 0.791 123.736 122.820 0.207 0.000 1.898 207 A HA 0.025 4.345 4.320 0.000 0.000 0.214 207 A C 2.047 179.658 177.584 0.044 0.000 1.183 207 A CA 1.356 53.475 52.037 0.138 0.000 0.622 207 A CB -0.718 18.389 19.000 0.178 0.000 0.824 207 A HN 0.715 nan 8.150 nan 0.000 0.444 208 E N -0.410 119.817 120.200 0.045 0.000 2.017 208 E HA -0.270 4.080 4.350 0.000 0.000 0.193 208 E C 2.069 178.670 176.600 0.003 0.000 0.997 208 E CA 1.448 57.858 56.400 0.017 0.000 0.804 208 E CB -0.192 29.518 29.700 0.017 0.000 0.757 208 E HN 0.499 nan 8.360 nan 0.000 0.448 209 Q N 0.368 120.174 119.800 0.009 0.000 2.062 209 Q HA -0.262 4.078 4.340 0.000 0.000 0.209 209 Q C 2.179 178.167 176.000 -0.022 0.000 0.996 209 Q CA 2.035 57.833 55.803 -0.009 0.000 0.859 209 Q CB -0.867 27.875 28.738 0.006 0.000 0.920 209 Q HN 0.408 nan 8.270 nan 0.000 0.415 210 M N 0.538 120.135 119.600 -0.006 0.000 2.226 210 M HA -0.211 4.269 4.480 0.000 0.000 0.257 210 M C 1.643 177.921 176.300 -0.037 0.000 1.070 210 M CA 1.789 57.073 55.300 -0.026 0.000 1.087 210 M CB -0.724 31.841 32.600 -0.058 0.000 1.278 210 M HN 0.169 nan 8.290 nan 0.000 0.426 211 L N 0.107 121.302 121.223 -0.048 0.000 2.005 211 L HA -0.132 4.208 4.340 0.000 0.000 0.207 211 L C 2.455 179.315 176.870 -0.017 0.000 1.072 211 L CA 1.755 56.561 54.840 -0.056 0.000 0.744 211 L CB -2.144 39.877 42.059 -0.064 0.000 0.895 211 L HN 0.341 nan 8.230 nan 0.000 0.433 212 K N 0.172 120.562 120.400 -0.018 0.000 2.127 212 K HA -0.138 4.182 4.320 0.000 0.000 0.208 212 K C 1.730 178.316 176.600 -0.024 0.000 1.047 212 K CA 1.456 57.734 56.287 -0.014 0.000 0.927 212 K CB -0.768 31.719 32.500 -0.022 0.000 0.716 212 K HN 0.450 nan 8.250 nan 0.000 0.450 213 G N -0.059 108.710 108.800 -0.051 0.000 3.314 213 G HA2 -0.104 3.856 3.960 0.000 0.000 0.238 213 G HA3 -0.104 3.856 3.960 0.000 0.000 0.238 213 G C 0.980 175.832 174.900 -0.080 0.000 1.184 213 G CA -0.117 44.914 45.100 -0.114 0.000 0.806 213 G HN 0.273 nan 8.290 nan 0.000 0.536 214 H N 2.047 121.052 119.070 -0.109 0.000 2.261 214 H HA -0.160 4.396 4.556 0.000 0.000 0.290 214 H C 2.530 177.810 175.328 -0.080 0.000 1.081 214 H CA 2.029 58.028 56.048 -0.083 0.000 1.196 214 H CB 0.262 29.991 29.762 -0.054 0.000 1.350 214 H HN 0.096 nan 8.280 nan 0.000 0.498 215 K N 0.453 120.764 120.400 -0.148 0.000 2.030 215 K HA -0.218 4.102 4.320 0.000 0.000 0.222 215 K C 2.177 178.672 176.600 -0.174 0.000 1.056 215 K CA 1.944 58.115 56.287 -0.195 0.000 0.957 215 K CB -0.708 31.735 32.500 -0.096 0.000 0.727 215 K HN 0.404 nan 8.250 nan 0.000 0.452 216 E N 0.593 120.692 120.200 -0.169 0.000 2.019 216 E HA -0.156 4.194 4.350 0.000 0.000 0.208 216 E C 2.077 178.580 176.600 -0.162 0.000 1.030 216 E CA 1.407 57.684 56.400 -0.205 0.000 0.856 216 E CB -0.783 28.666 29.700 -0.419 0.000 0.781 216 E HN 0.064 nan 8.360 nan 0.000 0.471 217 V N 0.640 120.374 119.914 -0.300 0.000 2.680 217 V HA -0.297 3.824 4.120 0.000 0.000 0.267 217 V C 1.944 178.101 176.094 0.105 0.000 1.137 217 V CA 1.452 63.731 62.300 -0.035 0.000 1.143 217 V CB -0.684 31.133 31.823 -0.011 0.000 0.711 217 V HN 0.138 nan 8.190 nan 0.000 0.490 218 L N -0.526 120.686 121.223 -0.017 0.000 2.116 218 L HA 0.095 4.435 4.340 0.000 0.000 0.200 218 L C 2.209 179.102 176.870 0.038 0.000 1.084 218 L CA 2.023 56.849 54.840 -0.022 0.000 0.766 218 L CB -0.662 41.311 42.059 -0.143 0.000 0.930 218 L HN 0.418 nan 8.230 nan 0.000 0.453 219 I N -4.404 116.186 120.570 0.032 0.000 2.546 219 I HA -0.173 3.997 4.170 0.000 0.000 0.255 219 I C 2.477 178.665 176.117 0.119 0.000 1.163 219 I CA 0.826 62.156 61.300 0.050 0.000 1.457 219 I CB -0.566 37.450 38.000 0.028 0.000 1.092 219 I HN 0.064 nan 8.210 nan 0.000 0.434 220 F N 3.619 123.550 119.950 -0.031 0.000 2.041 220 F HA -0.145 4.382 4.527 0.000 0.000 0.296 220 F C 1.838 177.629 175.800 -0.015 0.000 1.147 220 F CA 2.217 60.205 58.000 -0.020 0.000 1.214 220 F CB -0.999 37.992 39.000 -0.015 0.000 0.947 220 F HN 0.392 nan 8.300 nan 0.000 0.511 221 G N -1.344 107.520 108.800 0.107 0.000 2.427 221 G HA2 0.176 4.136 3.960 0.000 0.000 0.193 221 G HA3 0.176 4.136 3.960 0.000 0.000 0.193 221 G C 0.332 175.179 174.900 -0.089 0.000 1.086 221 G CA 0.124 45.214 45.100 -0.017 0.000 0.818 221 G HN 1.373 nan 8.290 nan 0.000 0.490 222 G N -0.342 108.471 108.800 0.021 0.000 5.364 222 G HA2 0.437 4.397 3.960 0.000 0.000 0.220 222 G HA3 0.437 4.397 3.960 0.000 0.000 0.220 222 G C 1.107 176.099 174.900 0.153 0.000 0.838 222 G CA 0.956 46.060 45.100 0.008 0.000 0.727 222 G HN 0.617 nan 8.290 nan 0.000 0.303 223 Q N 1.284 121.173 119.800 0.148 0.000 2.152 223 Q HA -0.210 4.130 4.340 0.000 0.000 0.206 223 Q C 1.653 177.707 176.000 0.089 0.000 0.985 223 Q CA 2.183 58.061 55.803 0.126 0.000 0.863 223 Q CB -0.427 28.365 28.738 0.090 0.000 0.904 223 Q HN 0.599 nan 8.270 nan 0.000 0.422 224 E N 1.218 121.457 120.200 0.064 0.000 2.208 224 E HA -0.028 4.322 4.350 0.000 0.000 0.193 224 E C 2.090 178.724 176.600 0.057 0.000 0.988 224 E CA 0.962 57.392 56.400 0.050 0.000 0.828 224 E CB -0.791 28.927 29.700 0.031 0.000 0.763 224 E HN 0.160 nan 8.360 nan 0.000 0.478 225 V N 1.411 121.360 119.914 0.058 0.000 2.490 225 V HA -0.212 3.908 4.120 0.000 0.000 0.250 225 V C 2.138 178.289 176.094 0.095 0.000 1.061 225 V CA 1.970 64.304 62.300 0.056 0.000 1.064 225 V CB -0.488 31.354 31.823 0.031 0.000 0.670 225 V HN 0.227 nan 8.190 nan 0.000 0.461 226 E N 0.167 120.441 120.200 0.123 0.000 2.046 226 E HA -0.123 4.227 4.350 0.000 0.000 0.190 226 E C 2.384 179.058 176.600 0.124 0.000 0.982 226 E CA 1.673 58.151 56.400 0.130 0.000 0.800 226 E CB -0.742 29.030 29.700 0.120 0.000 0.756 226 E HN 0.582 nan 8.360 nan 0.000 0.449 227 T N 2.165 116.774 114.554 0.092 0.000 2.624 227 T HA -0.233 4.117 4.350 0.000 0.000 0.268 227 T C 1.883 176.664 174.700 0.136 0.000 1.041 227 T CA 2.023 64.180 62.100 0.096 0.000 1.159 227 T CB -0.199 68.705 68.868 0.061 0.000 0.863 227 T HN 0.178 nan 8.240 nan 0.000 0.434 228 K N 1.001 121.460 120.400 0.097 0.000 2.020 228 K HA -0.213 4.107 4.320 0.000 0.000 0.212 228 K C 2.526 179.182 176.600 0.093 0.000 1.050 228 K CA 1.751 58.087 56.287 0.082 0.000 0.929 228 K CB -0.229 32.304 32.500 0.054 0.000 0.714 228 K HN 0.182 nan 8.250 nan 0.000 0.443 229 R N -0.499 120.063 120.500 0.104 0.000 2.103 229 R HA -0.193 4.147 4.340 0.000 0.000 0.242 229 R C 2.281 178.648 176.300 0.111 0.000 1.142 229 R CA 1.920 58.077 56.100 0.095 0.000 0.960 229 R CB -0.438 29.925 30.300 0.106 0.000 0.858 229 R HN 0.286 nan 8.270 nan 0.000 0.439 230 F N 1.691 121.650 119.950 0.014 0.000 2.084 230 F HA -0.200 4.327 4.527 0.000 0.000 0.296 230 F C 1.885 177.687 175.800 0.004 0.000 1.111 230 F CA 1.928 59.932 58.000 0.008 0.000 1.224 230 F CB -0.219 38.787 39.000 0.010 0.000 0.991 230 F HN 0.081 nan 8.300 nan 0.000 0.471 231 D N 0.252 120.746 120.400 0.158 0.000 2.133 231 D HA -0.261 4.379 4.640 0.000 0.000 0.195 231 D C 2.152 178.427 176.300 -0.041 0.000 0.997 231 D CA 1.560 55.595 54.000 0.059 0.000 0.840 231 D CB -0.439 40.409 40.800 0.081 0.000 0.947 231 D HN 0.332 nan 8.370 nan 0.000 0.452 232 K N 0.767 121.149 120.400 -0.031 0.000 2.057 232 K HA -0.101 4.219 4.320 0.000 0.000 0.207 232 K C 2.068 178.604 176.600 -0.107 0.000 1.049 232 K CA 0.763 57.019 56.287 -0.050 0.000 0.931 232 K CB 0.123 32.609 32.500 -0.024 0.000 0.714 232 K HN -0.075 nan 8.250 nan 0.000 0.440 233 V N 1.147 120.956 119.914 -0.175 0.000 2.346 233 V HA -0.227 3.893 4.120 0.000 0.000 0.244 233 V C 2.365 178.275 176.094 -0.305 0.000 1.037 233 V CA 1.820 63.980 62.300 -0.234 0.000 1.029 233 V CB -0.236 31.423 31.823 -0.272 0.000 0.663 233 V HN 0.552 nan 8.190 nan 0.000 0.454 234 S N 1.414 116.825 115.700 -0.482 0.000 2.369 234 S HA -0.380 4.090 4.470 0.000 0.000 0.225 234 S C 1.847 176.335 174.600 -0.188 0.000 1.043 234 S CA 2.314 60.272 58.200 -0.404 0.000 1.074 234 S CB -1.032 61.935 63.200 -0.389 0.000 0.962 234 S HN 0.599 nan 8.310 nan 0.000 0.433 235 N N 2.015 120.637 118.700 -0.132 0.000 2.036 235 N HA -0.182 4.558 4.740 0.000 0.000 0.195 235 N C 1.673 177.139 175.510 -0.072 0.000 1.037 235 N CA 1.983 54.990 53.050 -0.072 0.000 0.855 235 N CB -0.500 37.959 38.487 -0.048 0.000 1.033 235 N HN 0.630 nan 8.380 nan 0.000 0.423 236 K N -0.889 119.460 120.400 -0.086 0.000 2.442 236 K HA -0.195 4.125 4.320 0.000 0.000 0.200 236 K C 1.675 178.228 176.600 -0.078 0.000 1.045 236 K CA 1.021 57.264 56.287 -0.073 0.000 0.937 236 K CB -0.085 32.367 32.500 -0.079 0.000 0.757 236 K HN 0.284 nan 8.250 nan 0.000 0.474 237 M N 0.850 120.392 119.600 -0.096 0.000 2.384 237 M HA -0.044 4.436 4.480 0.000 0.000 0.258 237 M C 1.902 178.170 176.300 -0.053 0.000 1.130 237 M CA 1.098 56.343 55.300 -0.091 0.000 1.187 237 M CB -0.120 32.408 32.600 -0.121 0.000 1.307 237 M HN 0.056 nan 8.290 nan 0.000 0.468 238 R N 0.515 120.989 120.500 -0.044 0.000 2.139 238 R HA -0.158 4.182 4.340 0.000 0.000 0.243 238 R C 1.581 177.875 176.300 -0.010 0.000 1.145 238 R CA 1.983 58.072 56.100 -0.018 0.000 0.976 238 R CB -1.334 28.959 30.300 -0.012 0.000 0.866 238 R HN 0.463 nan 8.270 nan 0.000 0.449 239 L N 0.029 121.241 121.223 -0.018 0.000 2.416 239 L HA 0.065 4.405 4.340 0.000 0.000 0.216 239 L C 2.543 179.408 176.870 -0.008 0.000 1.098 239 L CA 0.335 55.169 54.840 -0.010 0.000 0.840 239 L CB -0.215 41.835 42.059 -0.015 0.000 0.981 239 L HN 0.156 nan 8.230 nan 0.000 0.462 240 Q N 1.009 120.798 119.800 -0.018 0.000 2.016 240 Q HA -0.085 4.255 4.340 0.000 0.000 0.200 240 Q C 2.154 178.158 176.000 0.007 0.000 0.978 240 Q CA 2.144 57.939 55.803 -0.014 0.000 0.833 240 Q CB -0.565 28.153 28.738 -0.035 0.000 0.895 240 Q HN 0.329 nan 8.270 nan 0.000 0.427 241 G N 0.153 108.958 108.800 0.009 0.000 2.404 241 G HA2 -0.277 3.683 3.960 0.000 0.000 0.215 241 G HA3 -0.277 3.683 3.960 0.000 0.000 0.215 241 G C 1.415 176.341 174.900 0.043 0.000 1.174 241 G CA 1.009 46.130 45.100 0.034 0.000 0.780 241 G HN 0.391 nan 8.290 nan 0.000 0.537 242 M N 0.432 120.049 119.600 0.029 0.000 2.144 242 M HA -0.046 4.434 4.480 0.000 0.000 0.260 242 M C 2.288 178.610 176.300 0.037 0.000 1.067 242 M CA 1.638 56.957 55.300 0.031 0.000 1.095 242 M CB -0.187 32.425 32.600 0.019 0.000 1.365 242 M HN 0.192 nan 8.290 nan 0.000 0.406 243 K N -0.237 120.181 120.400 0.030 0.000 2.032 243 K HA -0.185 4.135 4.320 0.000 0.000 0.209 243 K C 2.027 178.658 176.600 0.050 0.000 1.048 243 K CA 2.142 58.446 56.287 0.028 0.000 0.927 243 K CB -0.534 31.976 32.500 0.017 0.000 0.712 243 K HN 0.513 nan 8.250 nan 0.000 0.441 244 M N 0.122 119.770 119.600 0.079 0.000 2.077 244 M HA -0.150 4.330 4.480 0.000 0.000 0.261 244 M C 1.965 178.378 176.300 0.188 0.000 1.070 244 M CA 2.056 57.445 55.300 0.148 0.000 1.125 244 M CB -0.182 32.530 32.600 0.188 0.000 1.339 244 M HN 0.100 nan 8.290 nan 0.000 0.409 245 V N -1.924 118.070 119.914 0.133 0.000 2.324 245 V HA -0.227 3.893 4.120 0.000 0.000 0.250 245 V C 1.999 178.159 176.094 0.110 0.000 1.060 245 V CA 2.490 64.861 62.300 0.118 0.000 1.042 245 V CB -1.421 30.446 31.823 0.073 0.000 0.650 245 V HN 0.535 nan 8.190 nan 0.000 0.450 246 S N 0.687 116.434 115.700 0.079 0.000 2.387 246 S HA 0.102 4.572 4.470 0.000 0.000 0.226 246 S C 2.259 176.894 174.600 0.059 0.000 1.026 246 S CA 1.372 59.607 58.200 0.057 0.000 0.972 246 S CB -0.563 62.658 63.200 0.035 0.000 0.814 246 S HN 0.964 nan 8.310 nan 0.000 0.477 247 A N 0.556 123.410 122.820 0.056 0.000 1.972 247 A HA -0.070 4.250 4.320 0.000 0.000 0.219 247 A C 2.228 179.837 177.584 0.042 0.000 1.169 247 A CA 1.874 53.910 52.037 -0.002 0.000 0.635 247 A CB -0.729 18.228 19.000 -0.071 0.000 0.810 247 A HN 0.461 nan 8.150 nan 0.000 0.446 248 S N -1.091 114.751 115.700 0.236 0.000 2.414 248 S HA -0.081 4.389 4.470 0.000 0.000 0.227 248 S C 2.292 177.017 174.600 0.208 0.000 1.022 248 S CA 1.455 59.907 58.200 0.421 0.000 0.958 248 S CB -0.385 63.093 63.200 0.465 0.000 0.797 248 S HN 0.647 nan 8.310 nan 0.000 0.493 249 S N 1.869 117.645 115.700 0.128 0.000 2.356 249 S HA -0.108 4.362 4.470 0.000 0.000 0.223 249 S C 1.918 176.555 174.600 0.062 0.000 1.032 249 S CA 1.559 59.807 58.200 0.080 0.000 1.005 249 S CB -0.741 62.494 63.200 0.058 0.000 0.867 249 S HN 0.713 nan 8.310 nan 0.000 0.449 250 I N -0.403 120.195 120.570 0.047 0.000 2.676 250 I HA 0.059 4.229 4.170 0.000 0.000 0.259 250 I C 2.281 178.416 176.117 0.030 0.000 1.194 250 I CA 1.349 62.666 61.300 0.028 0.000 1.473 250 I CB -0.651 37.356 38.000 0.010 0.000 1.096 250 I HN 0.272 nan 8.210 nan 0.000 0.443 251 S N 1.382 117.111 115.700 0.049 0.000 2.382 251 S HA -0.196 4.274 4.470 0.000 0.000 0.228 251 S C 1.638 176.279 174.600 0.069 0.000 1.027 251 S CA 1.905 60.140 58.200 0.058 0.000 0.991 251 S CB -0.431 62.846 63.200 0.129 0.000 0.823 251 S HN 0.577 nan 8.310 nan 0.000 0.469 252 D N 1.180 121.625 120.400 0.074 0.000 2.077 252 D HA -0.014 4.626 4.640 0.000 0.000 0.197 252 D C -0.596 175.726 176.300 0.037 0.000 0.983 252 D CA 1.238 55.272 54.000 0.056 0.000 0.841 252 D CB -1.897 38.934 40.800 0.053 0.000 0.992 252 D HN 0.293 nan 8.370 nan 0.000 0.450 253 P HA -0.121 nan 4.420 nan 0.000 0.218 253 P C 1.511 178.823 177.300 0.020 0.000 1.146 253 P CA 0.808 63.922 63.100 0.024 0.000 0.820 253 P CB 0.051 31.764 31.700 0.022 0.000 0.778 254 I N -1.780 118.802 120.570 0.019 0.000 2.315 254 I HA -0.156 4.014 4.170 0.000 0.000 0.248 254 I C 2.041 178.167 176.117 0.014 0.000 1.117 254 I CA 1.367 62.675 61.300 0.013 0.000 1.404 254 I CB -1.155 36.850 38.000 0.007 0.000 1.071 254 I HN -0.041 nan 8.210 nan 0.000 0.419 255 I N 0.475 121.057 120.570 0.019 0.000 2.676 255 I HA -0.198 3.972 4.170 0.000 0.000 0.259 255 I C 2.525 178.651 176.117 0.014 0.000 1.194 255 I CA 0.972 62.282 61.300 0.017 0.000 1.473 255 I CB -0.398 37.617 38.000 0.024 0.000 1.096 255 I HN 0.255 nan 8.210 nan 0.000 0.443 256 Q N -0.583 119.227 119.800 0.017 0.000 2.167 256 Q HA -0.202 4.138 4.340 0.000 0.000 0.202 256 Q C 2.240 178.250 176.000 0.016 0.000 0.970 256 Q CA 1.181 56.993 55.803 0.015 0.000 0.855 256 Q CB -0.247 28.501 28.738 0.017 0.000 0.911 256 Q HN 0.396 nan 8.270 nan 0.000 0.438 257 L N 0.949 122.182 121.223 0.016 0.000 1.989 257 L HA -0.192 4.148 4.340 0.000 0.000 0.211 257 L C 2.027 178.907 176.870 0.017 0.000 1.071 257 L CA 1.693 56.542 54.840 0.016 0.000 0.749 257 L CB -0.393 41.674 42.059 0.012 0.000 0.890 257 L HN 0.159 nan 8.230 nan 0.000 0.431 258 I N -0.447 120.129 120.570 0.011 0.000 2.335 258 I HA -0.292 3.878 4.170 0.000 0.000 0.251 258 I C 2.530 178.653 176.117 0.009 0.000 1.129 258 I CA 1.092 62.397 61.300 0.007 0.000 1.402 258 I CB -0.705 37.294 38.000 -0.001 0.000 1.069 258 I HN 0.384 nan 8.210 nan 0.000 0.424 259 A N 0.140 122.966 122.820 0.010 0.000 1.872 259 A HA -0.140 4.181 4.320 0.000 0.000 0.214 259 A C 2.415 180.012 177.584 0.021 0.000 1.187 259 A CA 1.803 53.845 52.037 0.008 0.000 0.614 259 A CB -0.695 18.306 19.000 0.002 0.000 0.826 259 A HN 0.357 nan 8.150 nan 0.000 0.442 260 S N -0.405 115.312 115.700 0.029 0.000 2.547 260 S HA 0.013 4.484 4.470 0.000 0.000 0.235 260 S C 1.624 176.264 174.600 0.067 0.000 0.980 260 S CA 0.856 59.085 58.200 0.047 0.000 0.941 260 S CB -0.272 62.953 63.200 0.041 0.000 0.763 260 S HN 0.512 nan 8.310 nan 0.000 0.532 261 L N 0.865 122.123 121.223 0.058 0.000 2.084 261 L HA 0.095 4.435 4.340 0.000 0.000 0.202 261 L C 2.432 179.373 176.870 0.119 0.000 1.074 261 L CA 1.005 55.891 54.840 0.076 0.000 0.757 261 L CB -0.542 41.546 42.059 0.049 0.000 0.918 261 L HN 0.345 nan 8.230 nan 0.000 0.444 262 A N -0.307 122.556 122.820 0.071 0.000 2.067 262 A HA -0.143 4.177 4.320 0.000 0.000 0.219 262 A C 2.089 179.751 177.584 0.130 0.000 1.158 262 A CA 1.013 53.082 52.037 0.053 0.000 0.661 262 A CB -0.569 18.410 19.000 -0.034 0.000 0.801 262 A HN 0.463 nan 8.150 nan 0.000 0.452 263 L N -0.578 120.721 121.223 0.127 0.000 2.095 263 L HA 0.013 4.353 4.340 0.000 0.000 0.204 263 L C 2.518 179.550 176.870 0.271 0.000 1.080 263 L CA 2.142 57.088 54.840 0.176 0.000 0.759 263 L CB -1.180 40.938 42.059 0.099 0.000 0.914 263 L HN 0.375 nan 8.230 nan 0.000 0.439 264 A N -0.925 122.024 122.820 0.215 0.000 2.014 264 A HA -0.240 4.080 4.320 0.000 0.000 0.218 264 A C 2.058 179.780 177.584 0.230 0.000 1.163 264 A CA 1.025 53.179 52.037 0.195 0.000 0.652 264 A CB -0.839 18.235 19.000 0.124 0.000 0.808 264 A HN 0.467 nan 8.150 nan 0.000 0.449 265 F N 0.530 120.539 119.950 0.098 0.000 2.234 265 F HA -0.111 4.416 4.527 0.000 0.000 0.299 265 F C 2.131 178.023 175.800 0.153 0.000 1.087 265 F CA 1.499 59.562 58.000 0.104 0.000 1.340 265 F CB -0.138 38.892 39.000 0.050 0.000 1.031 265 F HN 0.037 nan 8.300 nan 0.000 0.500 266 V N -0.180 120.006 119.914 0.453 0.000 2.427 266 V HA -0.264 3.856 4.120 0.000 0.000 0.248 266 V C 2.334 178.551 176.094 0.205 0.000 1.051 266 V CA 1.452 63.960 62.300 0.347 0.000 1.048 266 V CB -0.643 31.408 31.823 0.381 0.000 0.666 266 V HN 0.249 nan 8.190 nan 0.000 0.456 267 L N -1.157 120.167 121.223 0.168 0.000 2.141 267 L HA -0.159 4.181 4.340 0.000 0.000 0.209 267 L C 2.273 179.199 176.870 0.095 0.000 1.094 267 L CA 1.842 56.710 54.840 0.047 0.000 0.763 267 L CB -0.847 41.238 42.059 0.043 0.000 0.908 267 L HN 0.466 nan 8.230 nan 0.000 0.437 268 Y N -0.178 120.126 120.300 0.007 0.000 2.314 268 Y HA -0.075 4.475 4.550 0.000 0.000 0.293 268 Y C 2.136 178.078 175.900 0.070 0.000 1.129 268 Y CA 1.055 59.157 58.100 0.003 0.000 1.201 268 Y CB -0.065 38.284 38.460 -0.184 0.000 0.999 268 Y HN 0.094 nan 8.280 nan 0.000 0.541 269 A N -0.810 122.026 122.820 0.027 0.000 2.307 269 A HA 0.492 4.812 4.320 0.000 0.000 0.218 269 A C 1.831 179.422 177.584 0.012 0.000 1.228 269 A CA 0.617 52.653 52.037 -0.002 0.000 0.857 269 A CB -0.841 18.235 19.000 0.126 0.000 0.897 269 A HN 0.465 nan 8.150 nan 0.000 0.495 270 A N -1.437 121.377 122.820 -0.010 0.000 2.197 270 A HA 0.267 4.587 4.320 0.000 0.000 0.210 270 A C 2.028 179.543 177.584 -0.117 0.000 1.180 270 A CA 1.146 53.149 52.037 -0.057 0.000 0.846 270 A CB -0.240 18.704 19.000 -0.092 0.000 0.884 270 A HN 0.389 nan 8.150 nan 0.000 0.487 271 S N -1.561 114.049 115.700 -0.149 0.000 2.439 271 S HA 0.131 4.601 4.470 0.000 0.000 0.224 271 S C 1.219 175.451 174.600 -0.613 0.000 1.029 271 S CA 1.036 59.009 58.200 -0.378 0.000 0.946 271 S CB -0.242 62.691 63.200 -0.446 0.000 0.797 271 S HN 0.462 nan 8.310 nan 0.000 0.504 272 F N 0.682 120.494 119.950 -0.231 0.000 2.532 272 F HA 0.394 4.922 4.527 0.000 0.000 0.278 272 F C -1.179 174.536 175.800 -0.141 0.000 0.975 272 F CA -0.332 57.548 58.000 -0.200 0.000 1.292 272 F CB -1.354 37.477 39.000 -0.282 0.000 1.112 272 F HN 0.037 nan 8.300 nan 0.000 0.703 273 P HA -0.111 nan 4.420 nan 0.000 0.219 273 P C 1.783 179.085 177.300 0.004 0.000 1.150 273 P CA 1.813 64.927 63.100 0.023 0.000 0.814 273 P CB 0.068 31.775 31.700 0.012 0.000 0.787 274 S N -0.957 114.732 115.700 -0.018 0.000 2.436 274 S HA -0.032 4.438 4.470 0.000 0.000 0.228 274 S C 1.213 175.790 174.600 -0.038 0.000 1.014 274 S CA 0.519 58.702 58.200 -0.027 0.000 0.950 274 S CB -0.678 62.495 63.200 -0.045 0.000 0.784 274 S HN -0.146 nan 8.310 nan 0.000 0.504 275 V N 2.849 122.729 119.914 -0.057 0.000 3.067 275 V HA 0.375 4.495 4.120 0.000 0.000 0.388 275 V C 0.529 176.606 176.094 -0.027 0.000 1.330 275 V CA 0.269 62.529 62.300 -0.067 0.000 1.501 275 V CB 0.053 31.796 31.823 -0.134 0.000 1.382 275 V HN 0.594 nan 8.190 nan 0.000 0.532 276 M N -0.046 119.549 119.600 -0.009 0.000 4.369 276 M HA 0.174 4.654 4.480 0.000 0.000 0.576 276 M C -0.154 176.154 176.300 0.013 0.000 1.928 276 M CA 0.337 55.642 55.300 0.009 0.000 0.607 276 M CB -0.116 32.498 32.600 0.023 0.000 1.601 276 M HN 0.455 nan 8.290 nan 0.000 0.627 277 D N 0.886 121.288 120.400 0.003 0.000 3.301 277 D HA -0.240 4.400 4.640 0.000 0.000 0.217 277 D C 0.755 177.067 176.300 0.021 0.000 1.548 277 D CA 2.499 56.505 54.000 0.009 0.000 1.118 277 D CB -1.105 39.703 40.800 0.014 0.000 0.684 277 D HN 0.431 nan 8.370 nan 0.000 0.821 278 S N -2.958 112.762 115.700 0.034 0.000 2.378 278 S HA -0.291 4.179 4.470 0.000 0.000 0.240 278 S C 0.982 175.605 174.600 0.037 0.000 1.229 278 S CA 1.714 59.947 58.200 0.055 0.000 1.607 278 S CB -1.000 62.246 63.200 0.076 0.000 2.074 278 S HN 0.444 nan 8.310 nan 0.000 0.620 279 L N 0.235 121.470 121.223 0.019 0.000 2.641 279 L HA 0.154 4.494 4.340 0.000 0.000 0.207 279 L C 1.359 178.236 176.870 0.012 0.000 1.049 279 L CA 0.837 55.685 54.840 0.014 0.000 0.866 279 L CB -0.292 41.773 42.059 0.010 0.000 1.264 279 L HN 0.657 nan 8.230 nan 0.000 0.483 280 T N -0.980 113.576 114.554 0.003 0.000 0.542 280 T HA -0.382 3.968 4.350 0.000 0.000 0.774 280 T C 0.650 175.352 174.700 0.002 0.000 0.992 280 T CA 0.365 62.465 62.100 -0.000 0.000 4.076 280 T CB -1.019 67.853 68.868 0.006 0.000 2.303 280 T HN 0.321 nan 8.240 nan 0.000 0.398 281 A N 0.503 123.325 122.820 0.004 0.000 2.337 281 A HA 0.648 4.968 4.320 0.000 0.000 0.227 281 A C 1.997 179.599 177.584 0.029 0.000 1.259 281 A CA 1.073 53.116 52.037 0.010 0.000 0.870 281 A CB -0.897 18.104 19.000 0.002 0.000 0.927 281 A HN 1.497 nan 8.150 nan 0.000 0.497 282 G N -1.382 107.440 108.800 0.036 0.000 2.742 282 G HA2 0.092 4.052 3.960 0.000 0.000 0.204 282 G HA3 0.092 4.052 3.960 0.000 0.000 0.204 282 G C 1.308 176.257 174.900 0.081 0.000 1.126 282 G CA 1.135 46.268 45.100 0.053 0.000 0.829 282 G HN 0.341 nan 8.290 nan 0.000 0.574 283 T N 1.383 115.974 114.554 0.062 0.000 3.035 283 T HA 0.136 4.486 4.350 0.000 0.000 0.259 283 T C 1.824 176.591 174.700 0.112 0.000 1.078 283 T CA 0.024 62.172 62.100 0.080 0.000 1.132 283 T CB 0.172 69.045 68.868 0.008 0.000 0.900 283 T HN 0.083 nan 8.240 nan 0.000 0.480 284 I N 2.257 122.872 120.570 0.076 0.000 3.605 284 I HA 0.039 4.209 4.170 0.000 0.000 0.301 284 I C 0.803 176.985 176.117 0.108 0.000 1.267 284 I CA 0.824 62.165 61.300 0.069 0.000 1.236 284 I CB -0.920 37.075 38.000 -0.008 0.000 1.010 284 I HN 0.187 nan 8.210 nan 0.000 0.491 285 T N -1.123 113.517 114.554 0.143 0.000 3.125 285 T HA 0.098 4.448 4.350 0.000 0.000 0.252 285 T C 1.707 176.518 174.700 0.185 0.000 0.981 285 T CA 0.340 62.538 62.100 0.162 0.000 1.069 285 T CB 0.445 69.376 68.868 0.105 0.000 1.091 285 T HN 0.071 nan 8.240 nan 0.000 0.460 286 V N 1.522 121.545 119.914 0.181 0.000 2.599 286 V HA 0.028 4.148 4.120 0.000 0.000 0.245 286 V C 2.505 178.709 176.094 0.183 0.000 1.046 286 V CA 0.883 63.284 62.300 0.167 0.000 1.065 286 V CB -0.281 31.674 31.823 0.220 0.000 0.703 286 V HN 0.246 nan 8.190 nan 0.000 0.464 287 V N -0.489 119.590 119.914 0.275 0.000 2.548 287 V HA -0.168 3.952 4.120 0.000 0.000 0.249 287 V C 2.083 178.295 176.094 0.196 0.000 1.055 287 V CA 2.033 64.488 62.300 0.258 0.000 1.065 287 V CB -0.534 31.441 31.823 0.253 0.000 0.681 287 V HN 0.599 nan 8.190 nan 0.000 0.462 288 F N 0.529 120.523 119.950 0.074 0.000 2.270 288 F HA -0.017 4.510 4.527 0.000 0.000 0.295 288 F C 2.608 178.431 175.800 0.038 0.000 1.087 288 F CA 1.463 59.495 58.000 0.054 0.000 1.365 288 F CB -0.254 38.777 39.000 0.051 0.000 1.056 288 F HN 0.081 nan 8.300 nan 0.000 0.506 289 S N -1.119 114.576 115.700 -0.008 0.000 2.383 289 S HA -0.190 4.280 4.470 0.000 0.000 0.227 289 S C 2.326 176.837 174.600 -0.149 0.000 1.026 289 S CA 1.559 59.690 58.200 -0.115 0.000 0.981 289 S CB -0.831 62.377 63.200 0.014 0.000 0.818 289 S HN 0.448 nan 8.310 nan 0.000 0.472 290 S N -0.148 115.500 115.700 -0.088 0.000 2.453 290 S HA -0.002 4.468 4.470 0.000 0.000 0.231 290 S C 1.744 176.281 174.600 -0.105 0.000 1.005 290 S CA 1.197 59.340 58.200 -0.094 0.000 0.949 290 S CB -0.371 62.776 63.200 -0.089 0.000 0.774 290 S HN 0.597 nan 8.310 nan 0.000 0.510 291 M N 1.208 120.726 119.600 -0.138 0.000 2.115 291 M HA 0.242 4.722 4.480 0.000 0.000 0.261 291 M C 1.733 177.917 176.300 -0.194 0.000 1.079 291 M CA 1.445 56.662 55.300 -0.138 0.000 1.143 291 M CB -0.430 32.099 32.600 -0.117 0.000 1.332 291 M HN 0.343 nan 8.290 nan 0.000 0.421 292 I N 0.114 120.471 120.570 -0.357 0.000 2.850 292 I HA -0.190 3.980 4.170 0.000 0.000 0.266 292 I C 1.674 177.687 176.117 -0.173 0.000 1.257 292 I CA 1.180 62.297 61.300 -0.305 0.000 1.465 292 I CB -0.275 37.444 38.000 -0.468 0.000 1.091 292 I HN 0.431 nan 8.210 nan 0.000 0.467 293 A N 0.457 123.187 122.820 -0.150 0.000 1.862 293 A HA -0.115 4.205 4.320 0.000 0.000 0.211 293 A C 2.033 179.575 177.584 -0.069 0.000 1.220 293 A CA 0.507 52.487 52.037 -0.096 0.000 0.616 293 A CB -0.826 18.120 19.000 -0.089 0.000 0.878 293 A HN 0.373 nan 8.150 nan 0.000 0.453 294 L N 0.450 121.635 121.223 -0.065 0.000 2.129 294 L HA -0.207 4.133 4.340 0.000 0.000 0.212 294 L C 2.330 179.185 176.870 -0.026 0.000 1.087 294 L CA 2.896 57.714 54.840 -0.036 0.000 0.757 294 L CB -0.745 41.301 42.059 -0.021 0.000 0.896 294 L HN 0.581 nan 8.230 nan 0.000 0.434 295 M N -1.828 117.750 119.600 -0.038 0.000 2.460 295 M HA -0.070 4.410 4.480 0.000 0.000 0.263 295 M C 2.072 178.360 176.300 -0.020 0.000 1.071 295 M CA 1.535 56.819 55.300 -0.026 0.000 1.096 295 M CB -0.961 31.620 32.600 -0.032 0.000 1.408 295 M HN 0.148 nan 8.290 nan 0.000 0.463 296 R N 1.520 122.004 120.500 -0.026 0.000 2.055 296 R HA 0.043 4.383 4.340 0.000 0.000 0.226 296 R C -0.745 175.548 176.300 -0.012 0.000 1.135 296 R CA 1.597 57.685 56.100 -0.019 0.000 0.959 296 R CB -1.864 28.421 30.300 -0.025 0.000 0.854 296 R HN 0.342 nan 8.270 nan 0.000 0.431 297 P HA -0.118 nan 4.420 nan 0.000 0.221 297 P C 1.741 179.039 177.300 -0.005 0.000 1.150 297 P CA 0.891 63.986 63.100 -0.009 0.000 0.800 297 P CB -0.133 31.560 31.700 -0.012 0.000 0.787 298 L N -0.085 121.137 121.223 -0.002 0.000 2.131 298 L HA 0.041 4.381 4.340 0.000 0.000 0.206 298 L C 1.870 178.741 176.870 0.001 0.000 1.087 298 L CA 1.367 56.208 54.840 0.002 0.000 0.767 298 L CB -0.411 41.652 42.059 0.006 0.000 0.917 298 L HN -0.231 nan 8.230 nan 0.000 0.441 299 K N -0.727 119.674 120.400 0.002 0.000 2.546 299 K HA 0.004 4.324 4.320 0.000 0.000 0.198 299 K C 1.283 177.888 176.600 0.007 0.000 1.028 299 K CA 0.447 56.738 56.287 0.007 0.000 1.150 299 K CB 0.295 32.799 32.500 0.006 0.000 0.876 299 K HN 0.285 nan 8.250 nan 0.000 0.508 300 S N 0.222 115.923 115.700 0.002 0.000 2.830 300 S HA 0.013 4.483 4.470 0.000 0.000 0.249 300 S C 1.449 176.046 174.600 -0.005 0.000 1.084 300 S CA -0.273 57.926 58.200 -0.000 0.000 0.852 300 S CB 0.064 63.263 63.200 -0.003 0.000 0.802 300 S HN 0.263 nan 8.310 nan 0.000 0.481 301 L N 2.324 123.541 121.223 -0.010 0.000 2.261 301 L HA 0.023 4.363 4.340 0.000 0.000 0.216 301 L C 2.324 179.181 176.870 -0.023 0.000 1.114 301 L CA 2.395 57.220 54.840 -0.024 0.000 0.777 301 L CB -0.982 41.058 42.059 -0.032 0.000 0.910 301 L HN 0.496 nan 8.230 nan 0.000 0.440 302 T N -1.144 113.410 114.554 -0.001 0.000 2.732 302 T HA -0.193 4.157 4.350 0.000 0.000 0.261 302 T C 1.945 176.654 174.700 0.014 0.000 1.040 302 T CA 1.440 63.554 62.100 0.023 0.000 1.145 302 T CB -0.412 68.484 68.868 0.047 0.000 0.866 302 T HN 0.557 nan 8.240 nan 0.000 0.427 303 N N 0.609 119.314 118.700 0.009 0.000 2.205 303 N HA -0.098 4.642 4.740 0.000 0.000 0.186 303 N C 1.929 177.412 175.510 -0.044 0.000 1.015 303 N CA 1.470 54.516 53.050 -0.007 0.000 0.862 303 N CB -0.374 38.115 38.487 0.004 0.000 0.986 303 N HN 0.392 nan 8.380 nan 0.000 0.429 304 V N 1.459 121.352 119.914 -0.034 0.000 2.878 304 V HA -0.050 4.070 4.120 0.000 0.000 0.250 304 V C 2.283 178.357 176.094 -0.033 0.000 1.075 304 V CA 0.988 63.271 62.300 -0.029 0.000 1.096 304 V CB -0.734 31.086 31.823 -0.006 0.000 0.724 304 V HN 0.369 nan 8.190 nan 0.000 0.467 305 N N 1.209 119.878 118.700 -0.052 0.000 2.094 305 N HA -0.226 4.514 4.740 0.000 0.000 0.191 305 N C 1.809 177.252 175.510 -0.112 0.000 1.023 305 N CA 2.048 55.068 53.050 -0.049 0.000 0.857 305 N CB -0.165 38.296 38.487 -0.043 0.000 1.013 305 N HN 0.551 nan 8.380 nan 0.000 0.426 306 A N 1.072 123.678 122.820 -0.356 0.000 1.852 306 A HA -0.285 4.035 4.320 0.000 0.000 0.217 306 A C 2.219 179.588 177.584 -0.358 0.000 1.215 306 A CA 2.411 53.967 52.037 -0.801 0.000 0.641 306 A CB -1.386 17.151 19.000 -0.771 0.000 0.838 306 A HN 0.511 nan 8.150 nan 0.000 0.450 307 Q N -1.306 118.382 119.800 -0.187 0.000 2.173 307 Q HA -0.216 4.124 4.340 0.000 0.000 0.208 307 Q C 1.703 177.689 176.000 -0.024 0.000 0.989 307 Q CA 2.400 58.150 55.803 -0.087 0.000 0.872 307 Q CB -0.631 28.076 28.738 -0.051 0.000 0.909 307 Q HN 0.671 nan 8.270 nan 0.000 0.420 308 F N 0.165 120.052 119.950 -0.105 0.000 2.171 308 F HA -0.195 4.332 4.527 0.000 0.000 0.300 308 F C 1.917 177.704 175.800 -0.021 0.000 1.090 308 F CA 1.535 59.504 58.000 -0.052 0.000 1.293 308 F CB -0.159 38.817 39.000 -0.040 0.000 1.013 308 F HN 0.117 nan 8.300 nan 0.000 0.486 309 Q N 0.494 120.448 119.800 0.256 0.000 1.990 309 Q HA -0.215 4.125 4.340 0.000 0.000 0.200 309 Q C 2.405 178.428 176.000 0.039 0.000 0.980 309 Q CA 1.722 57.651 55.803 0.210 0.000 0.832 309 Q CB -0.918 27.946 28.738 0.210 0.000 0.897 309 Q HN 0.445 nan 8.270 nan 0.000 0.427 310 R N -0.051 120.443 120.500 -0.010 0.000 2.191 310 R HA -0.235 4.105 4.340 0.000 0.000 0.248 310 R C 2.246 178.512 176.300 -0.058 0.000 1.127 310 R CA 2.147 58.237 56.100 -0.016 0.000 0.943 310 R CB -0.771 29.505 30.300 -0.039 0.000 0.891 310 R HN 0.393 nan 8.270 nan 0.000 0.439 311 G N 0.081 108.801 108.800 -0.133 0.000 2.404 311 G HA2 -0.264 3.696 3.960 0.000 0.000 0.215 311 G HA3 -0.264 3.696 3.960 0.000 0.000 0.215 311 G C 1.374 176.127 174.900 -0.246 0.000 1.174 311 G CA 0.642 45.621 45.100 -0.200 0.000 0.780 311 G HN 0.208 nan 8.290 nan 0.000 0.537 312 M N 1.629 121.047 119.600 -0.303 0.000 2.073 312 M HA -0.062 4.418 4.480 0.000 0.000 0.258 312 M C 2.867 179.065 176.300 -0.171 0.000 1.070 312 M CA 1.925 57.072 55.300 -0.254 0.000 1.103 312 M CB -1.121 31.449 32.600 -0.050 0.000 1.321 312 M HN 0.297 nan 8.290 nan 0.000 0.405 313 A N -0.164 122.614 122.820 -0.070 0.000 1.892 313 A HA -0.121 4.199 4.320 0.000 0.000 0.218 313 A C 2.381 179.918 177.584 -0.078 0.000 1.188 313 A CA 2.898 54.909 52.037 -0.043 0.000 0.631 313 A CB -1.352 17.662 19.000 0.023 0.000 0.822 313 A HN 0.628 nan 8.150 nan 0.000 0.447 314 A N -0.766 122.008 122.820 -0.077 0.000 1.892 314 A HA -0.278 4.042 4.320 0.000 0.000 0.218 314 A C 2.493 179.992 177.584 -0.142 0.000 1.188 314 A CA 2.114 54.109 52.037 -0.071 0.000 0.631 314 A CB -1.647 17.318 19.000 -0.060 0.000 0.822 314 A HN 1.156 nan 8.150 nan 0.000 0.447 315 C N -0.877 118.261 119.300 -0.269 0.000 2.388 315 C HA -0.204 4.256 4.460 0.000 0.000 0.277 315 C C 2.679 177.392 174.990 -0.462 0.000 1.210 315 C CA 1.966 60.685 59.018 -0.497 0.000 1.743 315 C CB -1.408 25.838 27.740 -0.823 0.000 2.047 315 C HN 0.641 nan 8.230 nan 0.000 0.458 316 Q N 0.466 120.047 119.800 -0.366 0.000 2.181 316 Q HA -0.116 4.224 4.340 0.000 0.000 0.205 316 Q C 2.272 178.280 176.000 0.013 0.000 0.980 316 Q CA 2.272 58.008 55.803 -0.112 0.000 0.862 316 Q CB -1.285 27.391 28.738 -0.102 0.000 0.905 316 Q HN 0.784 nan 8.270 nan 0.000 0.429 317 T N 2.080 116.625 114.554 -0.015 0.000 2.588 317 T HA -0.138 4.212 4.350 0.000 0.000 0.261 317 T C 1.800 176.536 174.700 0.061 0.000 1.069 317 T CA 1.667 63.782 62.100 0.025 0.000 1.172 317 T CB -0.371 68.510 68.868 0.020 0.000 0.863 317 T HN 0.395 nan 8.240 nan 0.000 0.408 318 L N -0.559 120.699 121.223 0.058 0.000 2.465 318 L HA 0.290 4.630 4.340 0.000 0.000 0.224 318 L C 2.025 178.994 176.870 0.166 0.000 1.145 318 L CA 1.152 56.049 54.840 0.096 0.000 0.834 318 L CB -1.491 40.615 42.059 0.080 0.000 0.944 318 L HN 0.202 nan 8.230 nan 0.000 0.451 319 F N 0.780 120.709 119.950 -0.035 0.000 2.102 319 F HA -0.209 4.318 4.527 0.000 0.000 0.298 319 F C 2.608 178.368 175.800 -0.067 0.000 1.105 319 F CA 0.719 58.684 58.000 -0.059 0.000 1.239 319 F CB 0.041 38.999 39.000 -0.070 0.000 0.991 319 F HN 0.305 nan 8.300 nan 0.000 0.474 320 A N 0.154 123.070 122.820 0.161 0.000 1.858 320 A HA -0.229 4.091 4.320 0.000 0.000 0.216 320 A C 1.886 179.491 177.584 0.034 0.000 1.190 320 A CA 1.541 53.612 52.037 0.057 0.000 0.617 320 A CB -1.072 17.961 19.000 0.056 0.000 0.827 320 A HN 0.373 nan 8.150 nan 0.000 0.443 321 I N -0.432 120.181 120.570 0.072 0.000 2.315 321 I HA -0.231 3.939 4.170 0.000 0.000 0.251 321 I C 2.220 178.394 176.117 0.095 0.000 1.125 321 I CA 1.137 62.501 61.300 0.106 0.000 1.392 321 I CB -0.096 37.987 38.000 0.138 0.000 1.065 321 I HN 0.438 nan 8.210 nan 0.000 0.424 322 L N -0.683 120.524 121.223 -0.026 0.000 2.209 322 L HA -0.114 4.226 4.340 0.000 0.000 0.207 322 L C 1.905 178.478 176.870 -0.495 0.000 1.094 322 L CA 1.224 55.857 54.840 -0.345 0.000 0.790 322 L CB -0.405 41.538 42.059 -0.194 0.000 0.932 322 L HN 0.208 nan 8.230 nan 0.000 0.447 323 D N -0.304 119.963 120.400 -0.223 0.000 2.378 323 D HA -0.085 4.555 4.640 0.000 0.000 0.227 323 D C 1.158 177.386 176.300 -0.120 0.000 1.012 323 D CA 0.119 54.007 54.000 -0.187 0.000 0.905 323 D CB 0.262 40.979 40.800 -0.137 0.000 0.895 323 D HN 0.243 nan 8.370 nan 0.000 0.532 324 S N 0.154 115.815 115.700 -0.064 0.000 2.611 324 S HA -0.100 4.370 4.470 0.000 0.000 0.252 324 S C 0.048 174.650 174.600 0.003 0.000 1.369 324 S CA -0.252 57.946 58.200 -0.003 0.000 0.975 324 S CB 0.458 63.685 63.200 0.045 0.000 0.937 324 S HN 0.273 nan 8.310 nan 0.000 0.584 325 E N 1.495 121.665 120.200 -0.049 0.000 2.167 325 E HA 0.210 4.561 4.350 0.000 0.000 0.284 325 E C -0.781 175.779 176.600 -0.068 0.000 1.016 325 E CA -0.790 55.581 56.400 -0.049 0.000 0.817 325 E CB 0.490 30.151 29.700 -0.065 0.000 1.080 325 E HN 0.382 nan 8.360 nan 0.000 0.397 326 Q N 3.247 123.044 119.800 -0.004 0.000 2.371 326 Q HA -0.056 4.284 4.340 0.000 0.000 0.254 326 Q C -0.042 175.921 176.000 -0.061 0.000 1.264 326 Q CA 0.544 56.331 55.803 -0.028 0.000 0.904 326 Q CB 0.213 28.962 28.738 0.019 0.000 1.507 326 Q HN 0.705 nan 8.270 nan 0.000 0.495 327 E N 1.521 121.656 120.200 -0.110 0.000 2.501 327 E HA -0.167 4.183 4.350 0.000 0.000 0.203 327 E C -0.027 176.553 176.600 -0.033 0.000 1.072 327 E CA 0.536 56.892 56.400 -0.073 0.000 0.885 327 E CB -0.030 29.618 29.700 -0.085 0.000 0.813 327 E HN 0.397 nan 8.360 nan 0.000 0.556 328 K N 1.414 121.795 120.400 -0.031 0.000 2.333 328 K HA 0.181 4.502 4.320 0.000 0.000 0.241 328 K C -0.964 175.629 176.600 -0.012 0.000 1.193 328 K CA -0.482 55.795 56.287 -0.017 0.000 1.142 328 K CB 0.271 32.762 32.500 -0.015 0.000 1.731 328 K HN -0.208 nan 8.250 nan 0.000 0.344 329 D N 2.179 122.574 120.400 -0.008 0.000 2.449 329 D HA 0.022 4.662 4.640 0.000 0.000 0.236 329 D C -0.003 176.295 176.300 -0.003 0.000 1.149 329 D CA 0.541 54.538 54.000 -0.004 0.000 0.878 329 D CB 0.618 41.420 40.800 0.002 0.000 1.198 329 D HN 0.350 nan 8.370 nan 0.000 0.446 330 E N 0.053 120.252 120.200 -0.002 0.000 2.256 330 E HA 0.544 4.894 4.350 0.000 0.000 0.267 330 E C 0.421 177.021 176.600 -0.000 0.000 0.892 330 E CA -0.814 55.586 56.400 -0.001 0.000 0.775 330 E CB 2.088 31.786 29.700 -0.003 0.000 1.207 330 E HN 0.451 nan 8.360 nan 0.000 0.420 331 G N 0.891 109.693 108.800 0.004 0.000 3.227 331 G HA2 0.314 4.274 3.960 0.000 0.000 0.171 331 G HA3 0.314 4.274 3.960 0.000 0.000 0.171 331 G C 0.356 175.245 174.900 -0.019 0.000 1.463 331 G CA 0.158 45.255 45.100 -0.005 0.000 1.016 331 G HN 0.406 nan 8.290 nan 0.000 0.594 332 K N -1.486 118.891 120.400 -0.039 0.000 3.105 332 K HA 0.152 4.472 4.320 0.000 0.000 0.209 332 K C 0.450 177.009 176.600 -0.067 0.000 1.828 332 K CA -0.437 55.820 56.287 -0.051 0.000 1.382 332 K CB 0.538 32.998 32.500 -0.065 0.000 2.153 332 K HN 0.089 nan 8.250 nan 0.000 0.588 333 R N 2.444 122.854 120.500 -0.151 0.000 2.473 333 R HA 0.083 4.423 4.340 0.000 0.000 0.315 333 R C -0.509 175.780 176.300 -0.017 0.000 0.972 333 R CA 0.029 56.001 56.100 -0.214 0.000 1.047 333 R CB 0.634 30.591 30.300 -0.571 0.000 0.932 333 R HN -0.039 nan 8.270 nan 0.000 0.411 334 V N 6.440 126.377 119.914 0.038 0.000 2.328 334 V HA 0.345 4.465 4.120 0.000 0.000 0.278 334 V C -0.544 175.631 176.094 0.136 0.000 1.021 334 V CA -0.853 61.518 62.300 0.118 0.000 0.838 334 V CB 1.113 32.966 31.823 0.050 0.000 0.999 334 V HN 0.563 nan 8.190 nan 0.000 0.447 335 I N 5.030 125.730 120.570 0.216 0.000 2.525 335 I HA 0.539 4.709 4.170 0.000 0.000 0.301 335 I C 0.610 176.755 176.117 0.046 0.000 0.992 335 I CA 0.154 61.546 61.300 0.153 0.000 1.162 335 I CB 2.250 40.403 38.000 0.255 0.000 1.332 335 I HN 0.793 nan 8.210 nan 0.000 0.458 336 D N 2.954 123.375 120.400 0.034 0.000 2.431 336 D HA 0.081 4.721 4.640 0.000 0.000 0.227 336 D C 0.613 176.915 176.300 0.004 0.000 1.030 336 D CA 0.147 54.154 54.000 0.012 0.000 0.897 336 D CB 0.308 41.117 40.800 0.016 0.000 1.058 336 D HN 0.320 nan 8.370 nan 0.000 0.500 337 R N 0.057 120.566 120.500 0.015 0.000 2.528 337 R HA 0.668 5.008 4.340 0.000 0.000 0.271 337 R C -0.295 176.004 176.300 -0.001 0.000 1.056 337 R CA 0.293 56.399 56.100 0.011 0.000 1.117 337 R CB 1.222 31.537 30.300 0.024 0.000 1.085 337 R HN -0.031 nan 8.270 nan 0.000 0.530 338 A N 1.750 124.565 122.820 -0.010 0.000 2.665 338 A HA 0.151 4.471 4.320 0.000 0.000 0.268 338 A C -0.150 177.425 177.584 -0.015 0.000 1.044 338 A CA 0.262 52.283 52.037 -0.026 0.000 0.993 338 A CB -0.453 18.513 19.000 -0.057 0.000 1.229 338 A HN 0.828 nan 8.150 nan 0.000 0.576 339 T N 1.314 115.868 114.554 -0.001 0.000 2.270 339 T HA -0.083 4.267 4.350 0.000 0.000 0.316 339 T C 0.901 175.596 174.700 -0.009 0.000 1.081 339 T CA 1.022 63.121 62.100 -0.001 0.000 3.303 339 T CB -0.781 68.093 68.868 0.011 0.000 0.833 339 T HN 1.194 nan 8.240 nan 0.000 0.294 340 G N 4.459 113.248 108.800 -0.019 0.000 2.843 340 G HA2 0.201 4.161 3.960 0.000 0.000 0.275 340 G HA3 0.201 4.161 3.960 0.000 0.000 0.275 340 G C 0.143 175.030 174.900 -0.021 0.000 0.709 340 G CA -0.414 44.668 45.100 -0.030 0.000 2.089 340 G HN 0.857 nan 8.290 nan 0.000 0.571 341 D N 1.650 122.044 120.400 -0.011 0.000 2.563 341 D HA 0.144 4.784 4.640 0.000 0.000 0.222 341 D C 0.591 176.888 176.300 -0.003 0.000 1.145 341 D CA -0.512 53.488 54.000 0.000 0.000 1.001 341 D CB 0.096 40.905 40.800 0.014 0.000 1.049 341 D HN 0.291 nan 8.370 nan 0.000 0.515 342 L N 2.213 123.421 121.223 -0.025 0.000 2.367 342 L HA 0.390 4.730 4.340 0.000 0.000 0.275 342 L C -0.729 176.136 176.870 -0.009 0.000 1.129 342 L CA 0.043 54.849 54.840 -0.055 0.000 0.839 342 L CB 0.380 42.373 42.059 -0.109 0.000 1.133 342 L HN 0.255 nan 8.230 nan 0.000 0.453 343 E N 6.715 126.929 120.200 0.023 0.000 2.321 343 E HA 0.420 4.770 4.350 0.000 0.000 0.281 343 E C -1.633 175.138 176.600 0.284 0.000 0.910 343 E CA -0.494 55.990 56.400 0.141 0.000 0.770 343 E CB 1.917 31.679 29.700 0.104 0.000 1.225 343 E HN 0.589 nan 8.360 nan 0.000 0.417 344 F N -0.406 119.566 119.950 0.037 0.000 2.604 344 F HA 0.752 5.279 4.527 0.000 0.000 0.316 344 F C -1.294 174.536 175.800 0.050 0.000 1.136 344 F CA -1.287 56.745 58.000 0.054 0.000 0.989 344 F CB 1.345 40.374 39.000 0.050 0.000 1.258 344 F HN 0.168 nan 8.300 nan 0.000 0.451 345 R N 2.008 122.541 120.500 0.056 0.000 2.589 345 R HA 0.336 4.676 4.340 0.000 0.000 0.293 345 R C -0.249 176.011 176.300 -0.067 0.000 0.963 345 R CA -0.850 55.215 56.100 -0.058 0.000 0.905 345 R CB 0.844 31.140 30.300 -0.008 0.000 1.144 345 R HN 0.890 nan 8.270 nan 0.000 0.459 346 N N -1.316 117.319 118.700 -0.107 0.000 2.685 346 N HA -0.194 4.546 4.740 0.000 0.000 0.251 346 N C -0.988 174.497 175.510 -0.042 0.000 1.020 346 N CA 0.753 53.761 53.050 -0.070 0.000 0.762 346 N CB -1.681 36.791 38.487 -0.026 0.000 0.958 346 N HN 0.269 nan 8.380 nan 0.000 0.539 347 V N -0.275 119.577 119.914 -0.104 0.000 2.470 347 V HA 0.270 4.390 4.120 0.000 0.000 0.276 347 V C 0.966 177.061 176.094 0.002 0.000 1.040 347 V CA -0.022 62.265 62.300 -0.022 0.000 1.008 347 V CB 0.994 32.798 31.823 -0.033 0.000 0.990 347 V HN 0.455 nan 8.190 nan 0.000 0.477 348 T N 5.752 120.342 114.554 0.060 0.000 2.925 348 T HA 0.737 5.087 4.350 0.000 0.000 0.285 348 T C -0.903 173.894 174.700 0.162 0.000 1.021 348 T CA -0.264 61.880 62.100 0.073 0.000 1.042 348 T CB 1.519 70.409 68.868 0.037 0.000 1.037 348 T HN 0.494 nan 8.240 nan 0.000 0.481 349 F N 0.819 120.746 119.950 -0.038 0.000 2.650 349 F HA 0.578 5.105 4.527 0.000 0.000 0.310 349 F C -0.659 175.086 175.800 -0.091 0.000 1.112 349 F CA -0.358 57.596 58.000 -0.076 0.000 0.986 349 F CB 2.048 40.981 39.000 -0.113 0.000 1.285 349 F HN 0.607 nan 8.300 nan 0.000 0.440 350 T N 3.210 117.226 114.554 -0.895 0.000 2.864 350 T HA 0.486 4.836 4.350 0.000 0.000 0.299 350 T C -0.510 173.646 174.700 -0.907 0.000 1.166 350 T CA -0.109 61.682 62.100 -0.515 0.000 1.007 350 T CB 1.023 69.747 68.868 -0.240 0.000 1.219 350 T HN 0.566 nan 8.240 nan 0.000 0.506 351 Y N 1.733 121.874 120.300 -0.266 0.000 2.788 351 Y HA 0.332 4.882 4.550 0.000 0.000 0.224 351 Y C -1.475 174.402 175.900 -0.039 0.000 0.961 351 Y CA -0.114 57.924 58.100 -0.103 0.000 1.023 351 Y CB -0.605 37.877 38.460 0.038 0.000 1.053 351 Y HN 0.416 nan 8.280 nan 0.000 0.465 352 P HA 0.133 nan 4.420 nan 0.000 0.263 352 P C 0.397 177.728 177.300 0.051 0.000 1.601 352 P CA 1.001 64.179 63.100 0.130 0.000 1.161 352 P CB 0.195 31.971 31.700 0.127 0.000 1.730 353 G N 3.878 112.680 108.800 0.003 0.000 3.282 353 G HA2 -0.377 3.583 3.960 0.000 0.000 0.367 353 G HA3 -0.377 3.583 3.960 0.000 0.000 0.367 353 G C 0.682 175.566 174.900 -0.028 0.000 1.377 353 G CA 0.055 45.139 45.100 -0.026 0.000 1.254 353 G HN 0.592 nan 8.290 nan 0.000 0.717 354 R N 2.543 123.039 120.500 -0.006 0.000 2.593 354 R HA 0.471 4.811 4.340 0.000 0.000 0.282 354 R C 0.077 176.379 176.300 0.004 0.000 1.300 354 R CA 0.669 56.767 56.100 -0.004 0.000 1.221 354 R CB -0.171 30.130 30.300 0.001 0.000 1.157 354 R HN 0.744 nan 8.270 nan 0.000 0.555 355 E N 0.526 120.727 120.200 0.001 0.000 1.980 355 E HA 0.214 4.564 4.350 0.000 0.000 0.139 355 E C -1.651 174.954 176.600 0.009 0.000 1.408 355 E CA -0.762 55.645 56.400 0.011 0.000 0.911 355 E CB 1.006 30.722 29.700 0.026 0.000 2.060 355 E HN 0.136 nan 8.360 nan 0.000 0.556 356 V N 2.309 122.235 119.914 0.020 0.000 2.444 356 V HA 0.487 4.607 4.120 0.000 0.000 0.294 356 V C -2.628 173.487 176.094 0.036 0.000 1.022 356 V CA -2.181 60.132 62.300 0.021 0.000 0.850 356 V CB 1.315 33.152 31.823 0.024 0.000 0.992 356 V HN 0.383 nan 8.190 nan 0.000 0.426 357 P HA 0.061 nan 4.420 nan 0.000 0.259 357 P C 0.264 177.617 177.300 0.089 0.000 1.163 357 P CA 0.683 63.806 63.100 0.038 0.000 0.760 357 P CB 0.807 32.521 31.700 0.023 0.000 0.762 358 A N 3.900 126.815 122.820 0.158 0.000 2.308 358 A HA 0.237 4.557 4.320 0.000 0.000 0.217 358 A C 0.410 178.094 177.584 0.167 0.000 1.216 358 A CA 0.543 52.698 52.037 0.197 0.000 0.864 358 A CB -0.154 19.060 19.000 0.356 0.000 0.902 358 A HN 0.501 nan 8.150 nan 0.000 0.499 359 L N 0.123 121.439 121.223 0.156 0.000 2.562 359 L HA 0.376 4.716 4.340 0.000 0.000 0.266 359 L C -0.024 176.897 176.870 0.086 0.000 0.949 359 L CA -0.564 54.346 54.840 0.115 0.000 0.879 359 L CB 2.054 44.189 42.059 0.127 0.000 1.278 359 L HN 0.256 nan 8.230 nan 0.000 0.404 360 R N 0.913 121.440 120.500 0.044 0.000 2.596 360 R HA 0.366 4.706 4.340 0.000 0.000 0.216 360 R C 0.050 176.347 176.300 -0.005 0.000 1.348 360 R CA -1.036 55.077 56.100 0.023 0.000 1.009 360 R CB 0.352 30.661 30.300 0.015 0.000 1.947 360 R HN 0.482 nan 8.270 nan 0.000 0.526 361 N N 2.067 120.758 118.700 -0.015 0.000 2.380 361 N HA -0.033 4.707 4.740 0.000 0.000 0.292 361 N C -0.750 174.715 175.510 -0.076 0.000 1.302 361 N CA 0.791 53.818 53.050 -0.039 0.000 1.007 361 N CB 0.091 38.561 38.487 -0.027 0.000 1.408 361 N HN 0.220 nan 8.380 nan 0.000 0.487 362 I N 2.664 123.150 120.570 -0.139 0.000 2.382 362 I HA 0.248 4.418 4.170 0.000 0.000 0.286 362 I C 0.014 175.895 176.117 -0.394 0.000 1.002 362 I CA -0.581 60.584 61.300 -0.224 0.000 1.135 362 I CB 1.220 39.082 38.000 -0.230 0.000 1.288 362 I HN 0.191 nan 8.210 nan 0.000 0.448 363 N N 7.051 125.585 118.700 -0.278 0.000 2.321 363 N HA 0.725 5.465 4.740 0.000 0.000 0.299 363 N C -1.143 174.266 175.510 -0.168 0.000 1.048 363 N CA -0.596 52.304 53.050 -0.250 0.000 0.836 363 N CB 3.194 41.613 38.487 -0.113 0.000 1.269 363 N HN 0.350 nan 8.380 nan 0.000 0.486 364 L N 0.770 121.949 121.223 -0.072 0.000 2.643 364 L HA 0.385 4.725 4.340 0.000 0.000 0.256 364 L C -1.735 175.306 176.870 0.284 0.000 0.931 364 L CA -0.458 54.472 54.840 0.150 0.000 0.895 364 L CB 1.904 44.130 42.059 0.278 0.000 1.430 364 L HN 0.556 nan 8.230 nan 0.000 0.419 365 K N 4.618 125.119 120.400 0.168 0.000 2.443 365 K HA 0.712 5.032 4.320 0.000 0.000 0.252 365 K C -1.642 175.007 176.600 0.080 0.000 0.933 365 K CA -0.522 55.841 56.287 0.126 0.000 0.792 365 K CB 1.415 33.964 32.500 0.081 0.000 1.185 365 K HN 0.684 nan 8.250 nan 0.000 0.425 366 I N 6.285 126.887 120.570 0.053 0.000 2.555 366 I HA 0.269 4.439 4.170 0.000 0.000 0.275 366 I C -2.350 173.773 176.117 0.011 0.000 1.082 366 I CA -2.352 58.962 61.300 0.023 0.000 1.167 366 I CB 1.512 39.513 38.000 0.001 0.000 1.312 366 I HN 0.360 nan 8.210 nan 0.000 0.493 367 P HA 0.083 nan 4.420 nan 0.000 0.271 367 P C 0.058 177.360 177.300 0.003 0.000 1.218 367 P CA -0.176 62.930 63.100 0.009 0.000 0.780 367 P CB 0.689 32.395 31.700 0.011 0.000 0.901 368 A N 3.135 125.956 122.820 0.001 0.000 2.624 368 A HA 0.290 4.610 4.320 0.000 0.000 0.231 368 A C 1.751 179.334 177.584 -0.002 0.000 1.034 368 A CA 1.121 53.157 52.037 -0.003 0.000 0.754 368 A CB -1.514 17.486 19.000 -0.001 0.000 0.953 368 A HN 0.892 nan 8.150 nan 0.000 0.509 369 G N 1.572 110.370 108.800 -0.004 0.000 2.435 369 G HA2 -0.306 3.654 3.960 0.000 0.000 0.245 369 G HA3 -0.306 3.654 3.960 0.000 0.000 0.245 369 G C 0.545 175.444 174.900 -0.001 0.000 1.073 369 G CA 0.997 46.095 45.100 -0.003 0.000 0.638 369 G HN 0.946 nan 8.290 nan 0.000 0.521 370 K N 1.069 121.469 120.400 0.000 0.000 2.258 370 K HA 0.465 4.785 4.320 0.000 0.000 0.264 370 K C -0.330 176.271 176.600 0.002 0.000 1.007 370 K CA 0.600 56.889 56.287 0.002 0.000 0.941 370 K CB 0.539 33.042 32.500 0.005 0.000 0.966 370 K HN 0.152 nan 8.250 nan 0.000 0.480 371 T N 1.714 116.270 114.554 0.004 0.000 2.809 371 T HA 0.279 4.629 4.350 0.000 0.000 0.296 371 T C -0.564 174.142 174.700 0.011 0.000 1.015 371 T CA -0.685 61.419 62.100 0.005 0.000 0.954 371 T CB 0.868 69.739 68.868 0.005 0.000 0.950 371 T HN 0.149 nan 8.240 nan 0.000 0.450 372 V N 2.779 122.701 119.914 0.013 0.000 2.435 372 V HA 0.823 4.943 4.120 0.000 0.000 0.290 372 V C 0.291 176.401 176.094 0.026 0.000 1.030 372 V CA -0.898 61.416 62.300 0.024 0.000 0.881 372 V CB 1.482 33.324 31.823 0.031 0.000 0.983 372 V HN 1.022 nan 8.190 nan 0.000 0.445 373 A N 5.355 128.197 122.820 0.037 0.000 2.320 373 A HA 0.875 5.195 4.320 0.000 0.000 0.334 373 A C -1.016 176.599 177.584 0.051 0.000 1.147 373 A CA -0.621 51.441 52.037 0.041 0.000 0.820 373 A CB 1.119 20.151 19.000 0.052 0.000 1.218 373 A HN 0.645 nan 8.150 nan 0.000 0.482 374 L N 2.751 123.996 121.223 0.037 0.000 2.342 374 L HA 0.518 4.858 4.340 0.000 0.000 0.276 374 L C -0.874 176.011 176.870 0.024 0.000 0.997 374 L CA -0.158 54.704 54.840 0.037 0.000 0.838 374 L CB 0.776 42.849 42.059 0.023 0.000 1.224 374 L HN 0.504 nan 8.230 nan 0.000 0.416 375 V N 1.685 121.634 119.914 0.059 0.000 2.876 375 V HA 1.026 5.146 4.120 0.000 0.000 0.312 375 V C 0.255 176.399 176.094 0.083 0.000 1.085 375 V CA -0.562 61.777 62.300 0.065 0.000 0.945 375 V CB 2.014 33.887 31.823 0.084 0.000 1.017 375 V HN 0.895 nan 8.190 nan 0.000 0.428 376 G N 1.955 110.822 108.800 0.112 0.000 2.342 376 G HA2 0.397 4.357 3.960 0.000 0.000 0.297 376 G HA3 0.397 4.357 3.960 0.000 0.000 0.297 376 G C -1.496 173.498 174.900 0.156 0.000 1.313 376 G CA -1.135 44.028 45.100 0.105 0.000 0.830 376 G HN 0.566 nan 8.290 nan 0.000 0.506 377 R N 0.175 120.735 120.500 0.099 0.000 2.590 377 R HA 0.328 4.668 4.340 0.000 0.000 0.274 377 R C 0.893 177.270 176.300 0.129 0.000 1.061 377 R CA 0.326 56.479 56.100 0.088 0.000 1.081 377 R CB 0.891 31.217 30.300 0.043 0.000 0.984 377 R HN 0.485 nan 8.270 nan 0.000 0.448 378 S N 1.687 117.471 115.700 0.140 0.000 3.106 378 S HA 0.096 4.566 4.470 0.000 0.000 0.304 378 S C 0.874 175.521 174.600 0.079 0.000 1.118 378 S CA 0.812 59.111 58.200 0.165 0.000 1.403 378 S CB -0.651 62.624 63.200 0.125 0.000 1.555 378 S HN 0.840 nan 8.310 nan 0.000 0.584 379 G N 2.081 110.921 108.800 0.066 0.000 3.578 379 G HA2 -0.052 3.908 3.960 0.000 0.000 0.220 379 G HA3 -0.052 3.908 3.960 0.000 0.000 0.220 379 G C 0.079 175.005 174.900 0.044 0.000 0.933 379 G CA 0.090 45.215 45.100 0.042 0.000 0.847 379 G HN 0.805 nan 8.290 nan 0.000 0.612 380 S N 0.336 116.067 115.700 0.051 0.000 2.601 380 S HA 0.498 4.968 4.470 0.000 0.000 0.271 380 S C 1.678 176.308 174.600 0.050 0.000 1.305 380 S CA 0.729 58.960 58.200 0.051 0.000 1.022 380 S CB 1.042 64.273 63.200 0.053 0.000 0.940 380 S HN 1.203 nan 8.310 nan 0.000 0.525 381 G N 3.079 111.915 108.800 0.060 0.000 3.122 381 G HA2 -0.096 3.864 3.960 0.000 0.000 0.201 381 G HA3 -0.096 3.864 3.960 0.000 0.000 0.201 381 G C 1.023 175.948 174.900 0.042 0.000 1.214 381 G CA 0.283 45.422 45.100 0.064 0.000 1.027 381 G HN 0.794 nan 8.290 nan 0.000 0.499 382 K N 0.304 120.719 120.400 0.026 0.000 1.970 382 K HA -0.136 4.184 4.320 0.000 0.000 0.225 382 K C 2.768 179.367 176.600 -0.001 0.000 1.045 382 K CA 1.711 58.002 56.287 0.005 0.000 1.002 382 K CB -0.483 31.996 32.500 -0.036 0.000 0.743 382 K HN 0.224 nan 8.250 nan 0.000 0.445 383 S N 0.486 116.176 115.700 -0.016 0.000 2.413 383 S HA -0.199 4.271 4.470 0.000 0.000 0.237 383 S C 1.953 176.556 174.600 0.006 0.000 1.044 383 S CA 1.890 60.083 58.200 -0.012 0.000 1.024 383 S CB -0.526 62.662 63.200 -0.021 0.000 0.829 383 S HN 0.382 nan 8.310 nan 0.000 0.475 384 T N 2.454 117.017 114.554 0.015 0.000 2.614 384 T HA -0.030 4.320 4.350 0.000 0.000 0.263 384 T C 1.769 176.417 174.700 -0.086 0.000 1.055 384 T CA 1.390 63.484 62.100 -0.010 0.000 1.162 384 T CB -0.480 68.408 68.868 0.034 0.000 0.863 384 T HN 0.507 nan 8.240 nan 0.000 0.414 385 I N 1.129 121.677 120.570 -0.037 0.000 2.208 385 I HA -0.188 3.982 4.170 0.000 0.000 0.245 385 I C 2.610 178.717 176.117 -0.017 0.000 1.097 385 I CA 1.570 62.867 61.300 -0.005 0.000 1.363 385 I CB -0.576 37.500 38.000 0.127 0.000 1.051 385 I HN 0.253 nan 8.210 nan 0.000 0.413 386 A N 1.315 124.136 122.820 0.001 0.000 1.881 386 A HA -0.339 3.981 4.320 0.000 0.000 0.219 386 A C 2.466 180.082 177.584 0.055 0.000 1.215 386 A CA 3.164 55.207 52.037 0.010 0.000 0.648 386 A CB -1.382 17.626 19.000 0.013 0.000 0.832 386 A HN 0.713 nan 8.150 nan 0.000 0.455 387 S N -0.901 114.860 115.700 0.102 0.000 2.461 387 S HA 0.098 4.568 4.470 0.000 0.000 0.228 387 S C 1.782 176.576 174.600 0.323 0.000 1.005 387 S CA 0.965 59.348 58.200 0.304 0.000 0.942 387 S CB -0.429 62.905 63.200 0.223 0.000 0.776 387 S HN 0.431 nan 8.310 nan 0.000 0.514 388 L N 0.332 121.594 121.223 0.065 0.000 2.291 388 L HA 0.081 4.421 4.340 0.000 0.000 0.214 388 L C 2.038 178.883 176.870 -0.041 0.000 1.120 388 L CA 0.724 55.540 54.840 -0.041 0.000 0.799 388 L CB -0.301 41.604 42.059 -0.258 0.000 0.925 388 L HN 0.262 nan 8.230 nan 0.000 0.446 389 I N -0.270 120.254 120.570 -0.076 0.000 2.099 389 I HA -0.307 3.863 4.170 0.000 0.000 0.239 389 I C 2.103 178.142 176.117 -0.129 0.000 1.066 389 I CA 1.961 63.169 61.300 -0.152 0.000 1.324 389 I CB -0.576 37.319 38.000 -0.175 0.000 1.037 389 I HN 0.326 nan 8.210 nan 0.000 0.401 390 T N -1.214 113.260 114.554 -0.132 0.000 3.584 390 T HA 0.090 4.440 4.350 0.000 0.000 0.252 390 T C 1.218 175.693 174.700 -0.376 0.000 1.103 390 T CA 0.028 61.958 62.100 -0.283 0.000 0.977 390 T CB -0.619 68.003 68.868 -0.410 0.000 1.044 390 T HN 0.337 nan 8.240 nan 0.000 0.589 391 R N -1.531 118.871 120.500 -0.163 0.000 4.018 391 R HA -0.235 4.105 4.340 0.000 0.000 0.412 391 R C 0.527 176.824 176.300 -0.005 0.000 1.112 391 R CA 1.211 57.263 56.100 -0.080 0.000 1.358 391 R CB -2.343 27.896 30.300 -0.101 0.000 1.925 391 R HN 0.521 nan 8.270 nan 0.000 0.561 392 F N -1.283 118.687 119.950 0.033 0.000 2.309 392 F HA -0.274 4.253 4.527 0.000 0.000 0.299 392 F C 1.188 176.828 175.800 -0.266 0.000 1.030 392 F CA 1.906 59.881 58.000 -0.043 0.000 1.410 392 F CB -0.264 38.787 39.000 0.086 0.000 1.110 392 F HN 0.250 nan 8.300 nan 0.000 0.556 393 Y N -2.126 118.306 120.300 0.221 0.000 2.926 393 Y HA 0.159 4.709 4.550 0.000 0.000 0.258 393 Y C 0.263 176.303 175.900 0.233 0.000 1.110 393 Y CA -1.389 56.858 58.100 0.245 0.000 1.224 393 Y CB -0.620 38.005 38.460 0.275 0.000 1.276 393 Y HN -0.120 nan 8.280 nan 0.000 0.595 394 D N 1.474 122.009 120.400 0.224 0.000 2.884 394 D HA -0.280 4.360 4.640 0.000 0.000 0.222 394 D C 0.461 176.878 176.300 0.197 0.000 1.166 394 D CA 1.814 55.906 54.000 0.155 0.000 0.652 394 D CB -0.629 40.228 40.800 0.094 0.000 1.060 394 D HN 0.552 nan 8.370 nan 0.000 0.416 395 I N -2.186 118.579 120.570 0.326 0.000 9.256 395 I HA -0.355 3.815 4.170 0.000 0.000 0.140 395 I C 0.619 176.925 176.117 0.315 0.000 1.871 395 I CA 1.067 62.607 61.300 0.400 0.000 2.039 395 I CB 0.155 38.278 38.000 0.206 0.000 3.985 395 I HN 0.049 nan 8.210 nan 0.000 0.170 396 D N 1.465 122.014 120.400 0.248 0.000 3.105 396 D HA 0.183 4.823 4.640 0.000 0.000 0.291 396 D C -0.205 176.109 176.300 0.023 0.000 1.218 396 D CA 1.168 55.159 54.000 -0.015 0.000 1.029 396 D CB 0.551 41.265 40.800 -0.143 0.000 1.207 396 D HN 0.479 nan 8.370 nan 0.000 0.437 397 E N -0.197 120.039 120.200 0.060 0.000 2.522 397 E HA 0.486 4.836 4.350 0.000 0.000 0.315 397 E C -0.582 176.063 176.600 0.075 0.000 0.917 397 E CA -0.115 56.313 56.400 0.048 0.000 0.796 397 E CB 0.952 30.669 29.700 0.028 0.000 1.323 397 E HN 0.374 nan 8.360 nan 0.000 0.397 398 G N 3.056 111.910 108.800 0.091 0.000 2.334 398 G HA2 0.141 4.101 3.960 0.000 0.000 0.249 398 G HA3 0.141 4.101 3.960 0.000 0.000 0.249 398 G C -1.768 173.253 174.900 0.202 0.000 1.327 398 G CA -0.826 44.381 45.100 0.179 0.000 0.979 398 G HN 0.474 nan 8.290 nan 0.000 0.471 399 H N -0.758 118.358 119.070 0.078 0.000 2.934 399 H HA 0.672 5.228 4.556 0.000 0.000 0.340 399 H C -0.596 174.843 175.328 0.184 0.000 1.008 399 H CA -0.324 55.789 56.048 0.109 0.000 1.317 399 H CB 1.544 31.353 29.762 0.078 0.000 1.670 399 H HN 0.516 nan 8.280 nan 0.000 0.516 400 I N 5.348 126.073 120.570 0.257 0.000 2.411 400 I HA 0.304 4.474 4.170 0.000 0.000 0.284 400 I C -0.825 175.395 176.117 0.172 0.000 1.012 400 I CA -0.685 60.781 61.300 0.276 0.000 1.119 400 I CB 0.991 39.112 38.000 0.201 0.000 1.261 400 I HN 0.323 nan 8.210 nan 0.000 0.448 401 L N 3.836 125.161 121.223 0.169 0.000 2.385 401 L HA 0.700 5.040 4.340 0.000 0.000 0.273 401 L C -0.698 176.238 176.870 0.110 0.000 0.990 401 L CA -0.833 54.098 54.840 0.152 0.000 0.821 401 L CB 2.156 44.310 42.059 0.158 0.000 1.279 401 L HN 0.631 nan 8.230 nan 0.000 0.412 402 M N 4.184 123.871 119.600 0.145 0.000 2.206 402 M HA 0.291 4.771 4.480 0.000 0.000 0.353 402 M C -1.016 175.396 176.300 0.187 0.000 1.242 402 M CA 0.473 55.826 55.300 0.089 0.000 1.179 402 M CB -0.342 32.240 32.600 -0.031 0.000 1.374 402 M HN 0.860 nan 8.290 nan 0.000 0.427 403 D N 3.972 124.435 120.400 0.106 0.000 2.800 403 D HA -0.117 4.523 4.640 0.000 0.000 0.248 403 D C 0.868 177.166 176.300 -0.003 0.000 1.091 403 D CA 1.642 55.695 54.000 0.089 0.000 0.746 403 D CB -1.333 39.564 40.800 0.162 0.000 1.062 403 D HN 1.116 nan 8.370 nan 0.000 0.431 404 G N -0.332 108.441 108.800 -0.045 0.000 2.412 404 G HA2 -0.385 3.575 3.960 0.000 0.000 0.252 404 G HA3 -0.385 3.575 3.960 0.000 0.000 0.252 404 G C 0.227 175.013 174.900 -0.189 0.000 1.038 404 G CA 0.761 45.763 45.100 -0.164 0.000 0.628 404 G HN 0.654 nan 8.290 nan 0.000 0.531 405 H N 1.559 120.691 119.070 0.103 0.000 2.517 405 H HA 0.403 4.959 4.556 0.000 0.000 0.317 405 H C -0.063 175.354 175.328 0.148 0.000 1.080 405 H CA -0.394 55.689 56.048 0.059 0.000 1.301 405 H CB 1.279 30.971 29.762 -0.118 0.000 1.425 405 H HN 0.398 nan 8.280 nan 0.000 0.471 406 D N 2.072 122.604 120.400 0.219 0.000 2.382 406 D HA -0.076 4.564 4.640 0.000 0.000 0.240 406 D C 1.160 177.585 176.300 0.208 0.000 1.146 406 D CA -0.437 53.674 54.000 0.184 0.000 0.897 406 D CB 1.356 42.227 40.800 0.120 0.000 1.197 406 D HN 0.242 nan 8.370 nan 0.000 0.432 407 L N 3.428 124.750 121.223 0.164 0.000 2.051 407 L HA -0.223 4.117 4.340 0.000 0.000 0.214 407 L C 2.582 179.534 176.870 0.138 0.000 1.076 407 L CA 1.712 56.644 54.840 0.153 0.000 0.758 407 L CB -0.834 41.261 42.059 0.061 0.000 0.890 407 L HN 0.427 nan 8.230 nan 0.000 0.433 408 R N -0.175 120.371 120.500 0.076 0.000 2.080 408 R HA -0.150 4.190 4.340 0.000 0.000 0.236 408 R C 2.193 178.510 176.300 0.028 0.000 1.137 408 R CA 1.293 57.418 56.100 0.042 0.000 0.943 408 R CB -0.616 29.692 30.300 0.013 0.000 0.846 408 R HN 0.442 nan 8.270 nan 0.000 0.431 409 E N -0.955 119.247 120.200 0.004 0.000 2.169 409 E HA -0.215 4.135 4.350 0.000 0.000 0.202 409 E C -0.067 176.430 176.600 -0.171 0.000 1.016 409 E CA 1.102 57.441 56.400 -0.101 0.000 0.817 409 E CB -0.197 29.414 29.700 -0.148 0.000 0.736 409 E HN 0.246 nan 8.360 nan 0.000 0.462 410 Y N 0.324 120.611 120.300 -0.022 0.000 2.314 410 Y HA 0.050 4.600 4.550 0.000 0.000 0.334 410 Y C 0.790 176.667 175.900 -0.037 0.000 1.266 410 Y CA -0.002 58.075 58.100 -0.038 0.000 1.391 410 Y CB 1.035 39.479 38.460 -0.026 0.000 1.306 410 Y HN -0.261 nan 8.280 nan 0.000 0.558 411 T N 3.533 118.202 114.554 0.191 0.000 2.794 411 T HA 0.116 4.466 4.350 0.000 0.000 0.296 411 T C 1.264 175.997 174.700 0.054 0.000 0.949 411 T CA -0.428 61.721 62.100 0.081 0.000 1.101 411 T CB 0.130 69.031 68.868 0.056 0.000 0.905 411 T HN 0.766 nan 8.240 nan 0.000 0.516 412 L N 5.804 127.038 121.223 0.018 0.000 1.997 412 L HA -0.128 4.212 4.340 0.000 0.000 0.216 412 L C 2.663 179.510 176.870 -0.038 0.000 1.074 412 L CA 2.395 57.222 54.840 -0.021 0.000 0.763 412 L CB -0.923 41.118 42.059 -0.031 0.000 0.890 412 L HN 0.926 nan 8.230 nan 0.000 0.434 413 A N -0.005 122.801 122.820 -0.023 0.000 1.877 413 A HA -0.406 3.914 4.320 0.000 0.000 0.218 413 A C 2.400 179.961 177.584 -0.038 0.000 1.301 413 A CA 3.556 55.578 52.037 -0.026 0.000 0.699 413 A CB -1.596 17.398 19.000 -0.010 0.000 0.844 413 A HN 0.713 nan 8.150 nan 0.000 0.464 414 S N -0.582 115.103 115.700 -0.026 0.000 2.419 414 S HA -0.121 4.349 4.470 0.000 0.000 0.233 414 S C 1.800 176.340 174.600 -0.100 0.000 1.016 414 S CA 1.427 59.600 58.200 -0.045 0.000 0.974 414 S CB -0.696 62.492 63.200 -0.019 0.000 0.786 414 S HN 0.587 nan 8.310 nan 0.000 0.492 415 L N 2.188 123.342 121.223 -0.115 0.000 1.978 415 L HA -0.071 4.269 4.340 0.000 0.000 0.218 415 L C 2.557 179.326 176.870 -0.168 0.000 1.075 415 L CA 1.892 56.618 54.840 -0.190 0.000 0.767 415 L CB -0.771 41.208 42.059 -0.133 0.000 0.890 415 L HN 0.210 nan 8.230 nan 0.000 0.434 416 R N -0.780 119.634 120.500 -0.143 0.000 2.285 416 R HA -0.124 4.216 4.340 0.000 0.000 0.213 416 R C 1.699 177.937 176.300 -0.102 0.000 1.068 416 R CA 0.981 56.992 56.100 -0.148 0.000 1.004 416 R CB -0.491 29.711 30.300 -0.163 0.000 0.873 416 R HN 0.522 nan 8.270 nan 0.000 0.467 417 N N 0.138 118.786 118.700 -0.087 0.000 2.422 417 N HA -0.088 4.652 4.740 0.000 0.000 0.181 417 N C 0.845 176.316 175.510 -0.064 0.000 1.080 417 N CA 0.416 53.431 53.050 -0.059 0.000 0.893 417 N CB 0.404 38.865 38.487 -0.044 0.000 0.973 417 N HN -0.065 nan 8.380 nan 0.000 0.456 418 Q N 0.009 119.749 119.800 -0.101 0.000 2.228 418 Q HA 0.316 4.656 4.340 0.000 0.000 0.211 418 Q C -1.213 174.731 176.000 -0.093 0.000 0.890 418 Q CA -0.100 55.637 55.803 -0.109 0.000 0.953 418 Q CB 0.391 29.023 28.738 -0.176 0.000 1.053 418 Q HN 0.145 nan 8.270 nan 0.000 0.471 419 V N -1.100 118.770 119.914 -0.073 0.000 3.077 419 V HA 0.845 4.965 4.120 0.000 0.000 0.299 419 V C -1.931 174.146 176.094 -0.030 0.000 1.276 419 V CA -0.731 61.535 62.300 -0.058 0.000 0.993 419 V CB 2.063 33.839 31.823 -0.078 0.000 1.076 419 V HN 0.043 nan 8.190 nan 0.000 0.434 420 A N 4.969 127.780 122.820 -0.014 0.000 2.350 420 A HA 0.990 5.311 4.320 0.000 0.000 0.324 420 A C -1.466 176.125 177.584 0.011 0.000 1.118 420 A CA -0.575 51.465 52.037 0.004 0.000 0.783 420 A CB 1.640 20.645 19.000 0.009 0.000 1.236 420 A HN 1.460 nan 8.150 nan 0.000 0.457 421 L N 1.716 122.954 121.223 0.026 0.000 2.424 421 L HA 0.748 5.088 4.340 0.000 0.000 0.258 421 L C -1.362 175.525 176.870 0.029 0.000 0.995 421 L CA -0.332 54.530 54.840 0.037 0.000 0.821 421 L CB 2.527 44.632 42.059 0.077 0.000 1.383 421 L HN 0.418 nan 8.230 nan 0.000 0.410 422 V N 2.997 122.924 119.914 0.023 0.000 2.383 422 V HA 0.313 4.434 4.120 0.000 0.000 0.264 422 V C -0.125 175.975 176.094 0.010 0.000 1.001 422 V CA -0.427 61.880 62.300 0.012 0.000 0.828 422 V CB 1.005 32.833 31.823 0.008 0.000 1.069 422 V HN 0.870 nan 8.190 nan 0.000 0.451 423 S N 2.573 118.281 115.700 0.013 0.000 2.558 423 S HA 0.060 4.530 4.470 0.000 0.000 0.293 423 S C 1.279 175.874 174.600 -0.009 0.000 1.292 423 S CA -0.376 57.824 58.200 0.001 0.000 1.063 423 S CB 1.001 64.197 63.200 -0.006 0.000 0.831 423 S HN 0.672 nan 8.310 nan 0.000 0.499 424 Q N 2.591 122.380 119.800 -0.018 0.000 2.062 424 Q HA -0.290 4.050 4.340 0.000 0.000 0.216 424 Q C 0.521 176.512 176.000 -0.015 0.000 1.052 424 Q CA 2.418 58.208 55.803 -0.022 0.000 0.910 424 Q CB -1.012 27.708 28.738 -0.029 0.000 1.043 424 Q HN 1.084 nan 8.270 nan 0.000 0.425 425 N N 0.030 118.721 118.700 -0.015 0.000 2.425 425 N HA 0.435 5.176 4.740 0.000 0.000 0.268 425 N C -1.223 174.289 175.510 0.003 0.000 0.991 425 N CA -0.609 52.437 53.050 -0.008 0.000 0.931 425 N CB 1.448 39.927 38.487 -0.014 0.000 1.130 425 N HN -0.011 nan 8.380 nan 0.000 0.493 426 V N 1.730 121.650 119.914 0.011 0.000 2.567 426 V HA 0.217 4.337 4.120 0.000 0.000 0.289 426 V C -0.025 176.111 176.094 0.070 0.000 1.049 426 V CA -0.527 61.786 62.300 0.022 0.000 0.969 426 V CB 0.653 32.474 31.823 -0.004 0.000 0.995 426 V HN 0.821 nan 8.190 nan 0.000 0.471 427 H N 3.932 122.968 119.070 -0.057 0.000 2.472 427 H HA 0.764 5.320 4.556 0.000 0.000 0.338 427 H C -0.909 174.342 175.328 -0.128 0.000 1.133 427 H CA -0.542 55.478 56.048 -0.047 0.000 1.216 427 H CB 1.187 30.946 29.762 -0.006 0.000 1.497 427 H HN 0.566 nan 8.280 nan 0.000 0.500 428 L N 3.906 124.881 121.223 -0.413 0.000 2.250 428 L HA 0.463 4.803 4.340 0.000 0.000 0.252 428 L C -0.348 176.284 176.870 -0.397 0.000 1.054 428 L CA -0.872 53.659 54.840 -0.516 0.000 0.856 428 L CB 1.762 43.681 42.059 -0.234 0.000 1.443 428 L HN 0.545 nan 8.230 nan 0.000 0.427 429 F N -0.618 119.137 119.950 -0.325 0.000 2.561 429 F HA 0.319 4.846 4.527 0.000 0.000 0.384 429 F C 0.243 175.927 175.800 -0.194 0.000 1.131 429 F CA -0.778 57.051 58.000 -0.284 0.000 1.133 429 F CB 1.007 39.797 39.000 -0.350 0.000 1.506 429 F HN 0.367 nan 8.300 nan 0.000 0.499 430 N N 0.179 118.917 118.700 0.063 0.000 2.818 430 N HA 0.214 4.954 4.740 0.000 0.000 0.301 430 N C -1.487 174.004 175.510 -0.031 0.000 1.821 430 N CA 0.004 53.056 53.050 0.003 0.000 0.930 430 N CB 0.072 38.562 38.487 0.006 0.000 1.263 430 N HN 0.446 nan 8.380 nan 0.000 0.487 431 D N -1.436 118.924 120.400 -0.065 0.000 2.730 431 D HA 0.410 5.050 4.640 0.000 0.000 0.202 431 D C -0.070 176.205 176.300 -0.041 0.000 1.283 431 D CA 0.025 53.979 54.000 -0.076 0.000 1.159 431 D CB 0.539 41.225 40.800 -0.190 0.000 1.167 431 D HN 0.273 nan 8.370 nan 0.000 0.557 432 T N -1.590 112.943 114.554 -0.035 0.000 2.950 432 T HA 0.423 4.773 4.350 0.000 0.000 0.288 432 T C 1.264 175.953 174.700 -0.019 0.000 1.035 432 T CA -0.766 61.328 62.100 -0.010 0.000 1.028 432 T CB 1.272 70.146 68.868 0.010 0.000 1.109 432 T HN -0.023 nan 8.240 nan 0.000 0.514 433 V N 1.633 121.543 119.914 -0.006 0.000 2.231 433 V HA -0.248 3.872 4.120 0.000 0.000 0.250 433 V C 3.131 179.220 176.094 -0.007 0.000 1.058 433 V CA 2.670 64.966 62.300 -0.006 0.000 1.022 433 V CB -1.760 30.059 31.823 -0.007 0.000 0.640 433 V HN 1.129 nan 8.190 nan 0.000 0.445 434 A N 0.357 123.179 122.820 0.004 0.000 1.894 434 A HA -0.411 3.909 4.320 0.000 0.000 0.220 434 A C 2.037 179.652 177.584 0.051 0.000 1.237 434 A CA 2.980 55.032 52.037 0.025 0.000 0.660 434 A CB -1.205 17.814 19.000 0.032 0.000 0.835 434 A HN 0.747 nan 8.150 nan 0.000 0.461 435 N N -0.400 118.334 118.700 0.058 0.000 2.058 435 N HA -0.154 4.586 4.740 0.000 0.000 0.191 435 N C 1.598 177.127 175.510 0.032 0.000 1.037 435 N CA 1.109 54.232 53.050 0.122 0.000 0.848 435 N CB -0.264 38.272 38.487 0.082 0.000 1.021 435 N HN 0.486 nan 8.380 nan 0.000 0.422 436 N N 0.874 119.508 118.700 -0.110 0.000 2.334 436 N HA -0.139 4.601 4.740 0.000 0.000 0.187 436 N C 1.495 176.950 175.510 -0.092 0.000 1.016 436 N CA 0.977 53.914 53.050 -0.187 0.000 0.879 436 N CB -0.025 38.353 38.487 -0.182 0.000 0.965 436 N HN 0.388 nan 8.380 nan 0.000 0.438 437 I N 0.002 120.567 120.570 -0.009 0.000 2.628 437 I HA -0.016 4.154 4.170 0.000 0.000 0.255 437 I C 2.316 178.476 176.117 0.072 0.000 1.119 437 I CA 0.305 61.619 61.300 0.024 0.000 1.448 437 I CB -0.195 37.825 38.000 0.033 0.000 1.133 437 I HN -0.060 nan 8.210 nan 0.000 0.438 438 A N 0.368 123.252 122.820 0.107 0.000 1.930 438 A HA -0.196 4.124 4.320 0.000 0.000 0.217 438 A C 1.848 179.495 177.584 0.105 0.000 1.175 438 A CA 1.245 53.342 52.037 0.100 0.000 0.627 438 A CB -0.952 18.121 19.000 0.122 0.000 0.815 438 A HN 0.424 nan 8.150 nan 0.000 0.443 439 Y N 0.054 120.339 120.300 -0.027 0.000 2.715 439 Y HA 0.164 4.714 4.550 0.000 0.000 0.332 439 Y C 1.415 177.299 175.900 -0.026 0.000 1.213 439 Y CA -0.025 58.079 58.100 0.006 0.000 1.304 439 Y CB -0.760 37.763 38.460 0.105 0.000 1.041 439 Y HN 0.296 nan 8.280 nan 0.000 0.502 440 A N 0.955 123.807 122.820 0.054 0.000 3.079 440 A HA 0.546 4.866 4.320 0.000 0.000 0.315 440 A C -0.294 177.244 177.584 -0.078 0.000 1.334 440 A CA -0.654 51.389 52.037 0.010 0.000 1.048 440 A CB -0.156 18.869 19.000 0.041 0.000 1.156 440 A HN 0.237 nan 8.150 nan 0.000 0.523 441 R N 0.389 120.817 120.500 -0.120 0.000 1.827 441 R HA -0.133 4.207 4.340 0.000 0.000 0.385 441 R C 0.535 176.563 176.300 -0.455 0.000 1.215 441 R CA 1.112 57.106 56.100 -0.178 0.000 0.985 441 R CB -2.866 27.402 30.300 -0.053 0.000 2.989 441 R HN 1.327 nan 8.270 nan 0.000 0.489 442 T N -0.513 113.822 114.554 -0.365 0.000 6.514 442 T HA -0.207 4.143 4.350 0.000 0.000 0.281 442 T C 0.497 175.023 174.700 -0.290 0.000 2.169 442 T CA 1.227 63.145 62.100 -0.303 0.000 3.671 442 T CB -0.676 68.002 68.868 -0.317 0.000 0.990 442 T HN 0.668 nan 8.240 nan 0.000 0.826 443 E N -0.225 119.770 120.200 -0.341 0.000 3.801 443 E HA -0.132 4.218 4.350 0.000 0.000 0.319 443 E C -0.075 176.410 176.600 -0.193 0.000 0.784 443 E CA 1.782 58.018 56.400 -0.272 0.000 1.183 443 E CB -0.881 28.593 29.700 -0.378 0.000 1.601 443 E HN 0.746 nan 8.360 nan 0.000 0.441 444 E N -0.618 119.443 120.200 -0.232 0.000 2.640 444 E HA 0.349 4.699 4.350 0.000 0.000 0.360 444 E C -1.430 175.140 176.600 -0.051 0.000 1.014 444 E CA -0.319 56.017 56.400 -0.107 0.000 0.757 444 E CB 0.242 29.903 29.700 -0.066 0.000 1.565 444 E HN 0.048 nan 8.360 nan 0.000 0.381 445 Y N -0.149 120.152 120.300 0.003 0.000 2.833 445 Y HA 0.616 5.166 4.550 0.000 0.000 0.323 445 Y C 0.787 176.688 175.900 0.001 0.000 1.220 445 Y CA -1.469 56.631 58.100 0.001 0.000 1.174 445 Y CB 0.781 39.242 38.460 0.002 0.000 1.404 445 Y HN 0.173 nan 8.280 nan 0.000 0.607 446 S N 0.522 116.336 115.700 0.190 0.000 2.584 446 S HA 0.171 4.641 4.470 0.000 0.000 0.273 446 S C 1.100 175.740 174.600 0.067 0.000 1.311 446 S CA -0.604 57.645 58.200 0.081 0.000 1.034 446 S CB 1.093 64.305 63.200 0.021 0.000 0.939 446 S HN 0.521 nan 8.310 nan 0.000 0.513 447 R N 1.659 122.185 120.500 0.043 0.000 2.211 447 R HA -0.114 4.226 4.340 0.000 0.000 0.240 447 R C 1.448 177.756 176.300 0.013 0.000 1.144 447 R CA 1.554 57.672 56.100 0.029 0.000 0.992 447 R CB -0.344 29.965 30.300 0.016 0.000 0.869 447 R HN 0.603 nan 8.270 nan 0.000 0.462 448 E N -0.117 120.085 120.200 0.003 0.000 2.001 448 E HA -0.161 4.189 4.350 0.000 0.000 0.193 448 E C 1.913 178.501 176.600 -0.021 0.000 0.994 448 E CA 1.510 57.901 56.400 -0.015 0.000 0.815 448 E CB -0.290 29.395 29.700 -0.025 0.000 0.770 448 E HN 0.223 nan 8.360 nan 0.000 0.453 449 Q N 0.212 119.991 119.800 -0.034 0.000 2.142 449 Q HA -0.228 4.112 4.340 0.000 0.000 0.213 449 Q C 2.311 178.307 176.000 -0.006 0.000 1.004 449 Q CA 2.319 58.089 55.803 -0.055 0.000 0.883 449 Q CB -0.722 27.936 28.738 -0.134 0.000 0.939 449 Q HN 0.603 nan 8.270 nan 0.000 0.413 450 I N -2.290 118.300 120.570 0.033 0.000 2.233 450 I HA -0.155 4.015 4.170 0.000 0.000 0.243 450 I C 1.937 178.052 176.117 -0.004 0.000 1.093 450 I CA 1.196 62.517 61.300 0.035 0.000 1.380 450 I CB -0.500 37.533 38.000 0.055 0.000 1.067 450 I HN -0.017 nan 8.210 nan 0.000 0.413 451 E N 1.461 121.653 120.200 -0.014 0.000 2.048 451 E HA -0.308 4.042 4.350 0.000 0.000 0.202 451 E C 2.090 178.666 176.600 -0.041 0.000 1.021 451 E CA 2.010 58.389 56.400 -0.036 0.000 0.825 451 E CB -0.486 29.194 29.700 -0.032 0.000 0.756 451 E HN 0.632 nan 8.360 nan 0.000 0.454 452 E N 0.646 120.826 120.200 -0.033 0.000 2.023 452 E HA -0.208 4.142 4.350 0.000 0.000 0.196 452 E C 2.035 178.620 176.600 -0.025 0.000 1.003 452 E CA 1.389 57.769 56.400 -0.033 0.000 0.809 452 E CB -0.184 29.496 29.700 -0.034 0.000 0.755 452 E HN 0.141 nan 8.360 nan 0.000 0.449 453 A N 1.341 124.152 122.820 -0.015 0.000 1.958 453 A HA -0.191 4.129 4.320 0.000 0.000 0.221 453 A C 2.427 180.010 177.584 -0.002 0.000 1.178 453 A CA 2.678 54.714 52.037 -0.001 0.000 0.642 453 A CB -0.823 18.188 19.000 0.017 0.000 0.816 453 A HN 0.439 nan 8.150 nan 0.000 0.453 454 A N -0.989 121.817 122.820 -0.023 0.000 2.014 454 A HA -0.074 4.246 4.320 0.000 0.000 0.218 454 A C 2.224 179.771 177.584 -0.062 0.000 1.163 454 A CA 1.514 53.521 52.037 -0.050 0.000 0.652 454 A CB -0.386 18.554 19.000 -0.100 0.000 0.808 454 A HN 0.584 nan 8.150 nan 0.000 0.449 455 R N -0.970 119.495 120.500 -0.058 0.000 2.057 455 R HA 0.033 4.373 4.340 0.000 0.000 0.224 455 R C 1.000 177.291 176.300 -0.015 0.000 1.136 455 R CA 1.064 57.124 56.100 -0.067 0.000 0.968 455 R CB -0.202 30.056 30.300 -0.069 0.000 0.863 455 R HN 0.358 nan 8.270 nan 0.000 0.433 456 M N 0.652 120.252 119.600 -0.000 0.000 2.793 456 M HA 0.070 4.550 4.480 0.000 0.000 0.215 456 M C 0.562 176.892 176.300 0.051 0.000 1.087 456 M CA 0.446 55.760 55.300 0.024 0.000 1.033 456 M CB 0.089 32.695 32.600 0.010 0.000 1.760 456 M HN 0.288 nan 8.290 nan 0.000 0.514 457 A N -1.651 121.212 122.820 0.072 0.000 2.674 457 A HA 0.208 4.528 4.320 0.000 0.000 0.274 457 A C 0.034 177.743 177.584 0.209 0.000 1.065 457 A CA -0.575 51.528 52.037 0.109 0.000 0.978 457 A CB -0.065 18.982 19.000 0.078 0.000 1.242 457 A HN 0.387 nan 8.150 nan 0.000 0.583 458 Y N -0.403 119.917 120.300 0.034 0.000 2.951 458 Y HA -0.227 4.323 4.550 0.000 0.000 0.173 458 Y C 0.769 176.738 175.900 0.115 0.000 1.593 458 Y CA 0.739 58.872 58.100 0.056 0.000 0.902 458 Y CB -1.026 37.472 38.460 0.064 0.000 1.452 458 Y HN 0.926 nan 8.280 nan 0.000 0.358 459 A N 3.321 126.169 122.820 0.047 0.000 2.679 459 A HA 0.105 4.425 4.320 0.000 0.000 0.168 459 A C 1.361 178.596 177.584 -0.581 0.000 1.561 459 A CA 0.356 52.347 52.037 -0.075 0.000 1.139 459 A CB -0.232 18.803 19.000 0.058 0.000 1.395 459 A HN 0.396 nan 8.150 nan 0.000 0.483 460 M N 1.472 120.867 119.600 -0.340 0.000 2.460 460 M HA -0.103 4.377 4.480 0.000 0.000 0.263 460 M C 1.460 177.577 176.300 -0.305 0.000 1.071 460 M CA 2.064 57.172 55.300 -0.320 0.000 1.096 460 M CB -1.097 31.383 32.600 -0.200 0.000 1.408 460 M HN 0.723 nan 8.290 nan 0.000 0.463 461 D N -0.107 120.124 120.400 -0.280 0.000 2.103 461 D HA -0.202 4.438 4.640 0.000 0.000 0.199 461 D C 1.710 177.966 176.300 -0.073 0.000 0.978 461 D CA 1.247 55.150 54.000 -0.162 0.000 0.829 461 D CB -0.982 39.724 40.800 -0.157 0.000 0.981 461 D HN 0.507 nan 8.370 nan 0.000 0.464 462 F N 0.303 120.236 119.950 -0.030 0.000 2.416 462 F HA 0.209 4.736 4.527 0.000 0.000 0.296 462 F C 1.868 177.665 175.800 -0.005 0.000 1.099 462 F CA -0.051 57.948 58.000 -0.002 0.000 1.427 462 F CB -0.290 38.724 39.000 0.023 0.000 1.079 462 F HN -0.181 nan 8.300 nan 0.000 0.536 463 I N 2.251 122.349 120.570 -0.786 0.000 2.163 463 I HA -0.305 3.865 4.170 0.000 0.000 0.243 463 I C 1.892 177.904 176.117 -0.175 0.000 1.085 463 I CA 1.577 62.594 61.300 -0.473 0.000 1.347 463 I CB -1.621 36.081 38.000 -0.497 0.000 1.044 463 I HN 0.395 nan 8.210 nan 0.000 0.408 464 N N 0.475 119.075 118.700 -0.167 0.000 2.396 464 N HA -0.142 4.598 4.740 0.000 0.000 0.180 464 N C 1.659 177.151 175.510 -0.029 0.000 1.028 464 N CA 0.532 53.532 53.050 -0.083 0.000 0.893 464 N CB 0.072 38.507 38.487 -0.086 0.000 0.967 464 N HN 0.436 nan 8.380 nan 0.000 0.440 465 K N 0.971 121.374 120.400 0.005 0.000 2.103 465 K HA -0.027 4.293 4.320 0.000 0.000 0.204 465 K C 0.981 177.609 176.600 0.046 0.000 1.052 465 K CA 0.622 56.934 56.287 0.042 0.000 0.945 465 K CB 0.015 32.568 32.500 0.089 0.000 0.722 465 K HN 0.306 nan 8.250 nan 0.000 0.443 466 M N 2.428 122.065 119.600 0.061 0.000 2.146 466 M HA 0.117 4.597 4.480 0.000 0.000 0.352 466 M C -0.585 175.731 176.300 0.027 0.000 1.343 466 M CA -0.681 54.653 55.300 0.056 0.000 1.115 466 M CB 0.620 33.274 32.600 0.090 0.000 1.657 466 M HN -0.063 nan 8.290 nan 0.000 0.471 467 D N 3.538 123.951 120.400 0.021 0.000 2.506 467 D HA -0.028 4.612 4.640 0.000 0.000 0.234 467 D C -0.212 176.094 176.300 0.009 0.000 1.143 467 D CA 0.384 54.391 54.000 0.011 0.000 0.871 467 D CB 0.333 41.140 40.800 0.011 0.000 1.190 467 D HN 1.132 nan 8.370 nan 0.000 0.459 468 N N 0.283 118.985 118.700 0.003 0.000 2.955 468 N HA -0.184 4.556 4.740 0.000 0.000 0.199 468 N C 1.186 176.692 175.510 -0.005 0.000 0.939 468 N CA 0.542 53.593 53.050 0.002 0.000 1.028 468 N CB -1.419 37.072 38.487 0.007 0.000 1.000 468 N HN 0.830 nan 8.380 nan 0.000 0.577 469 G N 1.221 110.014 108.800 -0.011 0.000 2.652 469 G HA2 -0.373 3.587 3.960 0.000 0.000 0.318 469 G HA3 -0.373 3.587 3.960 0.000 0.000 0.318 469 G C 0.600 175.483 174.900 -0.029 0.000 1.295 469 G CA 0.827 45.909 45.100 -0.031 0.000 0.999 469 G HN 0.169 nan 8.290 nan 0.000 0.548 470 L N 1.346 122.546 121.223 -0.038 0.000 2.447 470 L HA 0.107 4.447 4.340 0.000 0.000 0.225 470 L C 2.003 178.870 176.870 -0.006 0.000 1.148 470 L CA 2.031 56.855 54.840 -0.027 0.000 0.808 470 L CB -0.385 41.658 42.059 -0.026 0.000 0.928 470 L HN 0.424 nan 8.230 nan 0.000 0.448 471 D N -1.579 118.820 120.400 -0.003 0.000 2.339 471 D HA 0.037 4.677 4.640 0.000 0.000 0.217 471 D C 0.576 176.880 176.300 0.008 0.000 1.050 471 D CA 0.244 54.248 54.000 0.006 0.000 0.856 471 D CB 0.101 40.905 40.800 0.006 0.000 0.922 471 D HN 0.210 nan 8.370 nan 0.000 0.518 472 T N 1.013 115.571 114.554 0.007 0.000 2.907 472 T HA 0.206 4.556 4.350 0.000 0.000 0.298 472 T C 0.675 175.383 174.700 0.013 0.000 1.017 472 T CA -0.431 61.677 62.100 0.013 0.000 1.118 472 T CB 1.586 70.466 68.868 0.021 0.000 0.948 472 T HN 0.035 nan 8.240 nan 0.000 0.531 473 I N 3.945 124.523 120.570 0.013 0.000 2.396 473 I HA 0.392 4.562 4.170 0.000 0.000 0.289 473 I C 0.065 176.189 176.117 0.012 0.000 1.056 473 I CA -0.498 60.807 61.300 0.009 0.000 1.365 473 I CB 0.124 38.130 38.000 0.008 0.000 1.407 473 I HN 0.616 nan 8.210 nan 0.000 0.509 474 I N 6.881 127.455 120.570 0.006 0.000 2.834 474 I HA 0.472 4.642 4.170 0.000 0.000 0.305 474 I C 0.747 176.869 176.117 0.009 0.000 1.008 474 I CA -0.317 60.989 61.300 0.011 0.000 1.273 474 I CB 1.116 39.117 38.000 0.001 0.000 1.432 474 I HN 0.658 nan 8.210 nan 0.000 0.557 475 G N 3.596 112.403 108.800 0.012 0.000 2.378 475 G HA2 0.080 4.040 3.960 0.000 0.000 0.255 475 G HA3 0.080 4.040 3.960 0.000 0.000 0.255 475 G C -0.207 174.704 174.900 0.019 0.000 1.270 475 G CA -0.409 44.700 45.100 0.015 0.000 0.876 475 G HN 0.816 nan 8.290 nan 0.000 0.521 476 E N 2.130 122.346 120.200 0.026 0.000 3.111 476 E HA -0.194 4.156 4.350 0.000 0.000 0.230 476 E C 0.492 177.129 176.600 0.062 0.000 1.035 476 E CA 0.444 56.869 56.400 0.043 0.000 0.944 476 E CB -0.211 29.515 29.700 0.044 0.000 0.919 476 E HN 0.636 nan 8.360 nan 0.000 0.554 477 N N 3.527 122.263 118.700 0.060 0.000 2.725 477 N HA -0.162 4.578 4.740 0.000 0.000 0.256 477 N C 0.045 175.579 175.510 0.040 0.000 1.087 477 N CA 1.310 54.403 53.050 0.072 0.000 0.690 477 N CB -1.417 37.190 38.487 0.200 0.000 0.891 477 N HN 0.856 nan 8.380 nan 0.000 0.553 478 G N -0.218 108.584 108.800 0.004 0.000 2.396 478 G HA2 -0.265 3.695 3.960 0.000 0.000 0.288 478 G HA3 -0.265 3.695 3.960 0.000 0.000 0.288 478 G C 1.112 176.017 174.900 0.009 0.000 0.926 478 G CA 0.397 45.498 45.100 0.001 0.000 1.211 478 G HN 0.704 nan 8.290 nan 0.000 0.496 479 V N 0.090 120.014 119.914 0.015 0.000 2.599 479 V HA -0.009 4.111 4.120 0.000 0.000 0.245 479 V C 1.989 178.087 176.094 0.007 0.000 1.046 479 V CA 1.777 64.086 62.300 0.014 0.000 1.065 479 V CB -0.116 31.720 31.823 0.022 0.000 0.703 479 V HN 0.645 nan 8.190 nan 0.000 0.464 480 L N 1.639 122.867 121.223 0.009 0.000 2.998 480 L HA 0.635 4.975 4.340 0.000 0.000 0.234 480 L C -0.276 176.596 176.870 0.003 0.000 1.350 480 L CA 0.286 55.130 54.840 0.008 0.000 1.202 480 L CB -1.018 41.049 42.059 0.013 0.000 1.583 480 L HN 0.288 nan 8.230 nan 0.000 0.456 481 L N -4.308 116.907 121.223 -0.012 0.000 2.921 481 L HA 0.524 4.864 4.340 0.000 0.000 0.261 481 L C -0.278 176.552 176.870 -0.066 0.000 0.984 481 L CA -0.802 54.016 54.840 -0.037 0.000 0.951 481 L CB 1.213 43.260 42.059 -0.021 0.000 1.495 481 L HN -0.082 nan 8.230 nan 0.000 0.414 482 S N 0.468 116.100 115.700 -0.114 0.000 2.558 482 S HA 0.222 4.692 4.470 0.000 0.000 0.291 482 S C 1.381 175.916 174.600 -0.109 0.000 1.306 482 S CA 0.745 58.872 58.200 -0.121 0.000 1.056 482 S CB 0.913 64.010 63.200 -0.171 0.000 0.836 482 S HN 1.099 nan 8.310 nan 0.000 0.504 483 G N 3.813 112.569 108.800 -0.074 0.000 2.422 483 G HA2 -0.057 3.903 3.960 0.000 0.000 0.218 483 G HA3 -0.057 3.903 3.960 0.000 0.000 0.218 483 G C 1.403 176.265 174.900 -0.064 0.000 1.146 483 G CA 0.729 45.797 45.100 -0.054 0.000 0.769 483 G HN 0.964 nan 8.290 nan 0.000 0.547 484 G N 0.427 109.175 108.800 -0.087 0.000 2.459 484 G HA2 -0.225 3.735 3.960 0.000 0.000 0.217 484 G HA3 -0.225 3.735 3.960 0.000 0.000 0.217 484 G C 1.768 176.603 174.900 -0.108 0.000 1.183 484 G CA 1.157 46.205 45.100 -0.087 0.000 0.776 484 G HN 0.503 nan 8.290 nan 0.000 0.552 485 Q N -0.056 119.600 119.800 -0.241 0.000 2.077 485 Q HA -0.153 4.187 4.340 0.000 0.000 0.206 485 Q C 2.817 178.785 176.000 -0.053 0.000 0.989 485 Q CA 1.461 57.026 55.803 -0.398 0.000 0.853 485 Q CB -0.220 28.059 28.738 -0.764 0.000 0.907 485 Q HN 0.420 nan 8.270 nan 0.000 0.418 486 R N 0.543 121.012 120.500 -0.052 0.000 2.088 486 R HA -0.211 4.129 4.340 0.000 0.000 0.232 486 R C 2.419 178.728 176.300 0.015 0.000 1.136 486 R CA 1.790 57.890 56.100 0.000 0.000 0.926 486 R CB -0.408 29.881 30.300 -0.019 0.000 0.837 486 R HN 0.325 nan 8.270 nan 0.000 0.429 487 Q N 0.654 120.454 119.800 -0.001 0.000 2.096 487 Q HA -0.251 4.089 4.340 0.000 0.000 0.208 487 Q C 2.124 178.143 176.000 0.033 0.000 0.993 487 Q CA 1.879 57.686 55.803 0.007 0.000 0.862 487 Q CB 0.016 28.752 28.738 -0.004 0.000 0.915 487 Q HN 0.293 nan 8.270 nan 0.000 0.416 488 R N -0.207 120.331 120.500 0.064 0.000 2.083 488 R HA -0.153 4.187 4.340 0.000 0.000 0.237 488 R C 2.354 178.723 176.300 0.114 0.000 1.137 488 R CA 1.696 57.865 56.100 0.116 0.000 0.951 488 R CB -0.458 29.974 30.300 0.220 0.000 0.851 488 R HN 0.374 nan 8.270 nan 0.000 0.434 489 I N 0.719 121.367 120.570 0.129 0.000 2.286 489 I HA -0.262 3.908 4.170 0.000 0.000 0.248 489 I C 2.601 178.734 176.117 0.027 0.000 1.115 489 I CA 1.249 62.602 61.300 0.089 0.000 1.392 489 I CB -0.391 37.665 38.000 0.094 0.000 1.065 489 I HN 0.209 nan 8.210 nan 0.000 0.418 490 A N 0.646 123.472 122.820 0.010 0.000 1.969 490 A HA -0.129 4.191 4.320 0.000 0.000 0.218 490 A C 2.288 179.873 177.584 0.001 0.000 1.169 490 A CA 1.347 53.373 52.037 -0.018 0.000 0.635 490 A CB -0.651 18.337 19.000 -0.021 0.000 0.810 490 A HN 0.390 nan 8.150 nan 0.000 0.445 491 I N -0.690 119.893 120.570 0.021 0.000 2.286 491 I HA -0.180 3.990 4.170 0.000 0.000 0.245 491 I C 2.892 179.028 176.117 0.031 0.000 1.104 491 I CA 0.673 61.989 61.300 0.027 0.000 1.397 491 I CB -0.303 37.720 38.000 0.038 0.000 1.072 491 I HN 0.371 nan 8.210 nan 0.000 0.417 492 A N 1.358 124.201 122.820 0.039 0.000 1.836 492 A HA -0.307 4.013 4.320 0.000 0.000 0.215 492 A C 2.390 179.993 177.584 0.031 0.000 1.214 492 A CA 2.241 54.300 52.037 0.035 0.000 0.636 492 A CB -1.047 17.973 19.000 0.033 0.000 0.847 492 A HN 0.389 nan 8.150 nan 0.000 0.451 493 R N -0.138 120.375 120.500 0.021 0.000 2.227 493 R HA -0.307 4.033 4.340 0.000 0.000 0.246 493 R C 2.150 178.471 176.300 0.034 0.000 1.119 493 R CA 2.816 58.929 56.100 0.022 0.000 0.930 493 R CB -1.023 29.266 30.300 -0.019 0.000 0.912 493 R HN 0.522 nan 8.270 nan 0.000 0.435 494 A N 0.532 123.364 122.820 0.021 0.000 2.024 494 A HA -0.147 4.173 4.320 0.000 0.000 0.220 494 A C 2.150 179.751 177.584 0.030 0.000 1.164 494 A CA 1.417 53.469 52.037 0.024 0.000 0.643 494 A CB -0.416 18.593 19.000 0.016 0.000 0.806 494 A HN 0.423 nan 8.150 nan 0.000 0.451 495 L N -1.034 120.208 121.223 0.030 0.000 2.095 495 L HA 0.009 4.349 4.340 0.000 0.000 0.204 495 L C 2.247 179.135 176.870 0.030 0.000 1.080 495 L CA 1.560 56.415 54.840 0.026 0.000 0.759 495 L CB -0.560 41.513 42.059 0.024 0.000 0.914 495 L HN 0.440 nan 8.230 nan 0.000 0.439 496 L N -0.331 120.922 121.223 0.050 0.000 2.017 496 L HA -0.200 4.140 4.340 0.000 0.000 0.208 496 L C 2.565 179.498 176.870 0.106 0.000 1.073 496 L CA 1.712 56.593 54.840 0.069 0.000 0.745 496 L CB -0.745 41.391 42.059 0.129 0.000 0.894 496 L HN 0.157 nan 8.230 nan 0.000 0.432 497 R N 0.295 120.886 120.500 0.153 0.000 2.140 497 R HA -0.221 4.119 4.340 0.000 0.000 0.250 497 R C 0.311 176.668 176.300 0.097 0.000 1.150 497 R CA 1.252 57.459 56.100 0.178 0.000 0.966 497 R CB -0.737 29.625 30.300 0.103 0.000 0.869 497 R HN 0.608 nan 8.270 nan 0.000 0.445 498 D N 0.003 120.428 120.400 0.042 0.000 3.357 498 D HA -0.147 4.493 4.640 0.000 0.000 0.238 498 D C -1.023 175.281 176.300 0.006 0.000 1.126 498 D CA 0.779 54.784 54.000 0.008 0.000 0.984 498 D CB -0.577 40.210 40.800 -0.022 0.000 0.925 498 D HN 0.228 nan 8.370 nan 0.000 0.414 499 S N 2.258 117.959 115.700 0.002 0.000 2.722 499 S HA 0.722 5.192 4.470 0.000 0.000 0.292 499 S C -1.654 172.935 174.600 -0.019 0.000 1.135 499 S CA -0.983 57.212 58.200 -0.010 0.000 1.003 499 S CB 1.811 65.001 63.200 -0.016 0.000 1.067 499 S HN 0.125 nan 8.310 nan 0.000 0.546 500 P HA 0.268 nan 4.420 nan 0.000 0.220 500 P C -0.509 176.771 177.300 -0.034 0.000 1.152 500 P CA 0.835 63.917 63.100 -0.030 0.000 0.812 500 P CB 0.110 31.788 31.700 -0.036 0.000 0.792 501 I N 0.104 120.647 120.570 -0.044 0.000 2.382 501 I HA 0.239 4.409 4.170 0.000 0.000 0.285 501 I C -0.794 175.300 176.117 -0.038 0.000 1.007 501 I CA -1.024 60.247 61.300 -0.048 0.000 1.142 501 I CB 1.687 39.644 38.000 -0.072 0.000 1.289 501 I HN -0.232 nan 8.210 nan 0.000 0.453 502 L N 9.009 130.215 121.223 -0.028 0.000 2.319 502 L HA 0.618 4.958 4.340 0.000 0.000 0.281 502 L C -0.923 175.938 176.870 -0.015 0.000 1.005 502 L CA -0.136 54.694 54.840 -0.017 0.000 0.828 502 L CB 1.056 43.109 42.059 -0.009 0.000 1.227 502 L HN 0.391 nan 8.230 nan 0.000 0.415 503 I N 6.324 126.888 120.570 -0.010 0.000 2.339 503 I HA 0.327 4.497 4.170 0.000 0.000 0.290 503 I C -0.617 175.502 176.117 0.003 0.000 0.994 503 I CA -0.406 60.891 61.300 -0.006 0.000 1.191 503 I CB 1.401 39.400 38.000 -0.003 0.000 1.343 503 I HN 0.467 nan 8.210 nan 0.000 0.458 504 L N 5.771 126.993 121.223 -0.001 0.000 2.371 504 L HA 0.290 4.630 4.340 0.000 0.000 0.262 504 L C -0.257 176.608 176.870 -0.009 0.000 1.054 504 L CA -0.434 54.405 54.840 -0.001 0.000 0.924 504 L CB 0.636 42.694 42.059 -0.001 0.000 1.295 504 L HN 0.523 nan 8.230 nan 0.000 0.441 505 D N 4.522 124.917 120.400 -0.008 0.000 2.416 505 D HA -0.015 4.625 4.640 0.000 0.000 0.240 505 D C 0.806 177.086 176.300 -0.034 0.000 1.250 505 D CA 0.392 54.378 54.000 -0.023 0.000 0.967 505 D CB 0.164 40.954 40.800 -0.016 0.000 1.059 505 D HN 0.550 nan 8.370 nan 0.000 0.512 506 E N 1.866 122.039 120.200 -0.045 0.000 2.389 506 E HA -0.319 4.031 4.350 0.000 0.000 0.243 506 E C 0.522 177.109 176.600 -0.021 0.000 1.154 506 E CA 0.473 56.846 56.400 -0.046 0.000 0.723 506 E CB -0.972 28.686 29.700 -0.070 0.000 1.261 506 E HN 0.538 nan 8.360 nan 0.000 0.390 507 A N -0.444 122.368 122.820 -0.014 0.000 2.186 507 A HA -0.165 4.155 4.320 0.000 0.000 0.219 507 A C 1.968 179.549 177.584 -0.005 0.000 1.159 507 A CA 1.748 53.781 52.037 -0.006 0.000 0.680 507 A CB -0.168 18.832 19.000 -0.001 0.000 0.787 507 A HN 0.432 nan 8.150 nan 0.000 0.467 508 T N -1.076 113.475 114.554 -0.006 0.000 3.035 508 T HA 0.030 4.380 4.350 0.000 0.000 0.259 508 T C 1.800 176.496 174.700 -0.007 0.000 1.078 508 T CA 0.763 62.859 62.100 -0.008 0.000 1.132 508 T CB -0.110 68.755 68.868 -0.005 0.000 0.900 508 T HN 0.496 nan 8.240 nan 0.000 0.480 509 S N 1.588 117.287 115.700 -0.001 0.000 2.600 509 S HA -0.323 4.147 4.470 0.000 0.000 0.462 509 S C 1.089 175.688 174.600 -0.003 0.000 1.124 509 S CA 1.836 60.037 58.200 0.003 0.000 2.567 509 S CB -0.903 62.295 63.200 -0.003 0.000 1.938 509 S HN 0.860 nan 8.310 nan 0.000 0.503 510 A N 0.993 123.805 122.820 -0.013 0.000 2.664 510 A HA 0.702 5.022 4.320 0.000 0.000 0.338 510 A C -0.657 176.906 177.584 -0.034 0.000 1.280 510 A CA -0.363 51.661 52.037 -0.022 0.000 0.809 510 A CB 0.310 19.296 19.000 -0.025 0.000 1.114 510 A HN 0.360 nan 8.150 nan 0.000 0.479 511 L N 0.649 121.851 121.223 -0.035 0.000 2.422 511 L HA 0.359 4.699 4.340 0.000 0.000 0.264 511 L C -0.653 176.181 176.870 -0.060 0.000 0.984 511 L CA -1.053 53.755 54.840 -0.053 0.000 0.819 511 L CB 2.352 44.377 42.059 -0.057 0.000 1.330 511 L HN 0.623 nan 8.230 nan 0.000 0.410 512 D N 0.963 121.315 120.400 -0.079 0.000 2.426 512 D HA -0.076 4.564 4.640 0.000 0.000 0.261 512 D C 1.333 177.579 176.300 -0.089 0.000 1.245 512 D CA 0.620 54.573 54.000 -0.078 0.000 0.917 512 D CB 1.126 41.870 40.800 -0.094 0.000 1.123 512 D HN 0.593 nan 8.370 nan 0.000 0.508 513 T N 2.725 117.243 114.554 -0.059 0.000 2.653 513 T HA -0.349 4.001 4.350 0.000 0.000 0.267 513 T C 1.546 176.203 174.700 -0.072 0.000 1.037 513 T CA 2.206 64.276 62.100 -0.051 0.000 1.159 513 T CB -0.264 68.587 68.868 -0.028 0.000 0.859 513 T HN 0.665 nan 8.240 nan 0.000 0.449 514 E N -0.441 119.712 120.200 -0.078 0.000 2.031 514 E HA -0.125 4.225 4.350 0.000 0.000 0.193 514 E C 2.455 178.945 176.600 -0.184 0.000 0.994 514 E CA 1.585 57.931 56.400 -0.089 0.000 0.800 514 E CB -0.313 29.352 29.700 -0.059 0.000 0.752 514 E HN 0.570 nan 8.360 nan 0.000 0.447 515 S N 0.882 116.405 115.700 -0.296 0.000 2.370 515 S HA -0.242 4.228 4.470 0.000 0.000 0.226 515 S C 1.791 176.168 174.600 -0.371 0.000 1.033 515 S CA 1.528 59.368 58.200 -0.600 0.000 1.011 515 S CB -0.394 62.480 63.200 -0.545 0.000 0.852 515 S HN 0.430 nan 8.310 nan 0.000 0.457 516 E N 1.714 121.794 120.200 -0.200 0.000 2.013 516 E HA -0.270 4.080 4.350 0.000 0.000 0.202 516 E C 2.259 178.806 176.600 -0.089 0.000 1.018 516 E CA 1.302 57.634 56.400 -0.113 0.000 0.834 516 E CB -0.270 29.389 29.700 -0.069 0.000 0.770 516 E HN 0.331 nan 8.360 nan 0.000 0.459 517 R N -0.034 120.423 120.500 -0.073 0.000 2.154 517 R HA -0.214 4.126 4.340 0.000 0.000 0.248 517 R C 2.265 178.544 176.300 -0.035 0.000 1.155 517 R CA 1.351 57.426 56.100 -0.042 0.000 0.979 517 R CB -0.361 29.921 30.300 -0.031 0.000 0.869 517 R HN 0.356 nan 8.270 nan 0.000 0.452 518 A N 0.802 123.579 122.820 -0.071 0.000 1.877 518 A HA -0.165 4.155 4.320 0.000 0.000 0.216 518 A C 2.090 179.694 177.584 0.034 0.000 1.186 518 A CA 1.485 53.517 52.037 -0.008 0.000 0.620 518 A CB -0.465 18.499 19.000 -0.059 0.000 0.822 518 A HN 0.324 nan 8.150 nan 0.000 0.443 519 I N -0.866 119.703 120.570 -0.002 0.000 2.142 519 I HA -0.313 3.857 4.170 0.000 0.000 0.240 519 I C 2.744 178.875 176.117 0.022 0.000 1.078 519 I CA 1.825 63.146 61.300 0.034 0.000 1.343 519 I CB -0.427 37.584 38.000 0.017 0.000 1.046 519 I HN 0.419 nan 8.210 nan 0.000 0.405 520 Q N 1.386 121.187 119.800 0.003 0.000 2.082 520 Q HA -0.297 4.044 4.340 0.000 0.000 0.211 520 Q C 2.129 178.135 176.000 0.010 0.000 1.002 520 Q CA 2.883 58.688 55.803 0.003 0.000 0.868 520 Q CB -0.528 28.206 28.738 -0.006 0.000 0.931 520 Q HN 0.531 nan 8.270 nan 0.000 0.414 521 A N 0.188 123.017 122.820 0.015 0.000 1.865 521 A HA -0.101 4.219 4.320 0.000 0.000 0.217 521 A C 2.349 179.947 177.584 0.024 0.000 1.191 521 A CA 2.521 54.570 52.037 0.020 0.000 0.623 521 A CB -1.478 17.538 19.000 0.027 0.000 0.826 521 A HN 0.621 nan 8.150 nan 0.000 0.444 522 A N -0.212 122.629 122.820 0.035 0.000 1.873 522 A HA -0.147 4.173 4.320 0.000 0.000 0.218 522 A C 2.213 179.811 177.584 0.023 0.000 1.193 522 A CA 1.731 53.789 52.037 0.035 0.000 0.629 522 A CB -0.804 18.228 19.000 0.053 0.000 0.826 522 A HN 0.504 nan 8.150 nan 0.000 0.447 523 L N -0.542 120.693 121.223 0.021 0.000 1.956 523 L HA -0.286 4.054 4.340 0.000 0.000 0.216 523 L C 2.399 179.274 176.870 0.009 0.000 1.073 523 L CA 1.887 56.735 54.840 0.013 0.000 0.762 523 L CB -1.013 41.052 42.059 0.010 0.000 0.889 523 L HN 0.356 nan 8.230 nan 0.000 0.433 524 D N -0.358 120.047 120.400 0.008 0.000 2.157 524 D HA -0.254 4.386 4.640 0.000 0.000 0.191 524 D C 2.104 178.407 176.300 0.005 0.000 1.004 524 D CA 1.364 55.367 54.000 0.005 0.000 0.854 524 D CB -0.285 40.518 40.800 0.005 0.000 0.936 524 D HN 0.297 nan 8.370 nan 0.000 0.446 525 E N 0.553 120.757 120.200 0.007 0.000 2.085 525 E HA -0.152 4.198 4.350 0.000 0.000 0.194 525 E C 2.263 178.864 176.600 0.002 0.000 0.994 525 E CA 0.598 57.001 56.400 0.005 0.000 0.801 525 E CB -0.346 29.358 29.700 0.008 0.000 0.743 525 E HN 0.339 nan 8.360 nan 0.000 0.453 526 L N 0.602 121.827 121.223 0.002 0.000 2.062 526 L HA -0.136 4.204 4.340 0.000 0.000 0.202 526 L C 2.766 179.635 176.870 -0.003 0.000 1.079 526 L CA 1.372 56.211 54.840 -0.002 0.000 0.755 526 L CB -0.455 41.603 42.059 -0.001 0.000 0.913 526 L HN 0.110 nan 8.230 nan 0.000 0.445 527 Q N -0.310 119.489 119.800 -0.001 0.000 2.458 527 Q HA -0.303 4.037 4.340 0.000 0.000 0.215 527 Q C 1.697 177.696 176.000 -0.002 0.000 0.989 527 Q CA 1.582 57.384 55.803 -0.002 0.000 0.895 527 Q CB -0.396 28.342 28.738 -0.000 0.000 0.934 527 Q HN 0.240 nan 8.270 nan 0.000 0.475 528 K N 0.958 121.357 120.400 -0.001 0.000 2.218 528 K HA -0.137 4.183 4.320 0.000 0.000 0.205 528 K C 1.147 177.746 176.600 -0.002 0.000 1.046 528 K CA 1.826 58.112 56.287 -0.001 0.000 0.933 528 K CB 0.114 32.613 32.500 -0.001 0.000 0.728 528 K HN 0.475 nan 8.250 nan 0.000 0.454 529 N N -0.600 118.097 118.700 -0.004 0.000 2.511 529 N HA 0.025 4.765 4.740 0.000 0.000 0.190 529 N C 0.379 175.886 175.510 -0.006 0.000 1.037 529 N CA 0.306 53.353 53.050 -0.005 0.000 0.895 529 N CB -0.115 38.368 38.487 -0.007 0.000 1.149 529 N HN -0.074 nan 8.380 nan 0.000 0.437 530 R N 0.980 121.475 120.500 -0.008 0.000 2.840 530 R HA 0.231 4.571 4.340 0.000 0.000 0.282 530 R C 0.069 176.363 176.300 -0.010 0.000 1.133 530 R CA 0.338 56.432 56.100 -0.010 0.000 1.208 530 R CB -0.253 30.040 30.300 -0.012 0.000 1.160 530 R HN -0.013 nan 8.270 nan 0.000 0.576 531 T N 0.789 115.334 114.554 -0.014 0.000 2.743 531 T HA 0.373 4.723 4.350 0.000 0.000 0.293 531 T C -0.483 174.206 174.700 -0.017 0.000 0.945 531 T CA -0.295 61.796 62.100 -0.016 0.000 1.030 531 T CB 0.664 69.518 68.868 -0.023 0.000 0.912 531 T HN 0.334 nan 8.240 nan 0.000 0.483 532 S N 3.652 119.345 115.700 -0.012 0.000 2.519 532 S HA 0.511 4.981 4.470 0.000 0.000 0.309 532 S C -0.970 173.624 174.600 -0.009 0.000 1.100 532 S CA -0.791 57.403 58.200 -0.011 0.000 1.059 532 S CB 1.115 64.312 63.200 -0.005 0.000 1.008 532 S HN 0.555 nan 8.310 nan 0.000 0.478 533 L N 5.208 126.423 121.223 -0.014 0.000 2.337 533 L HA 0.606 4.946 4.340 0.000 0.000 0.269 533 L C -0.933 175.933 176.870 -0.007 0.000 1.018 533 L CA -0.433 54.400 54.840 -0.011 0.000 0.876 533 L CB 0.799 42.842 42.059 -0.027 0.000 1.236 533 L HN 0.533 nan 8.230 nan 0.000 0.436 534 V N 7.419 127.333 119.914 -0.001 0.000 2.427 534 V HA 0.498 4.618 4.120 0.000 0.000 0.286 534 V C -0.381 175.711 176.094 -0.003 0.000 1.034 534 V CA -0.568 61.731 62.300 -0.002 0.000 0.893 534 V CB 1.964 33.787 31.823 0.001 0.000 0.982 534 V HN 0.619 nan 8.190 nan 0.000 0.452 535 I N 7.566 128.127 120.570 -0.015 0.000 2.563 535 I HA 0.745 4.915 4.170 0.000 0.000 0.276 535 I C -0.271 175.806 176.117 -0.066 0.000 1.074 535 I CA -0.027 61.253 61.300 -0.033 0.000 1.124 535 I CB 0.747 38.726 38.000 -0.035 0.000 1.225 535 I HN 0.769 nan 8.210 nan 0.000 0.482 536 A N 5.956 128.742 122.820 -0.056 0.000 2.414 536 A HA 0.690 5.010 4.320 0.000 0.000 0.278 536 A C -0.207 177.347 177.584 -0.051 0.000 1.228 536 A CA -0.307 51.692 52.037 -0.063 0.000 0.857 536 A CB 1.084 20.079 19.000 -0.008 0.000 1.389 536 A HN 0.714 nan 8.150 nan 0.000 0.452 537 H N -0.624 118.440 119.070 -0.011 0.000 2.695 537 H HA 0.246 4.802 4.556 0.000 0.000 0.267 537 H C 0.263 175.577 175.328 -0.023 0.000 0.973 537 H CA 0.446 56.481 56.048 -0.021 0.000 1.223 537 H CB 0.317 30.066 29.762 -0.021 0.000 1.442 537 H HN 0.498 nan 8.280 nan 0.000 0.478 538 R N 2.230 122.799 120.500 0.115 0.000 3.247 538 R HA 0.054 4.394 4.340 0.000 0.000 0.212 538 R C 1.036 177.365 176.300 0.048 0.000 1.604 538 R CA -0.182 55.955 56.100 0.061 0.000 1.279 538 R CB -0.342 29.984 30.300 0.043 0.000 1.277 538 R HN 0.215 nan 8.270 nan 0.000 0.669 539 L N 0.387 121.637 121.223 0.045 0.000 2.198 539 L HA -0.407 3.933 4.340 0.000 0.000 0.218 539 L C 2.421 179.304 176.870 0.020 0.000 1.084 539 L CA 1.567 56.423 54.840 0.027 0.000 0.779 539 L CB -0.646 41.426 42.059 0.022 0.000 0.890 539 L HN 0.492 nan 8.230 nan 0.000 0.439 540 S N -0.736 114.994 115.700 0.049 0.000 2.423 540 S HA -0.199 4.271 4.470 0.000 0.000 0.238 540 S C 1.541 176.137 174.600 -0.008 0.000 1.028 540 S CA 1.827 60.046 58.200 0.032 0.000 1.000 540 S CB -0.444 62.783 63.200 0.045 0.000 0.797 540 S HN 0.687 nan 8.310 nan 0.000 0.487 541 T N -1.320 113.233 114.554 -0.001 0.000 3.268 541 T HA 0.544 4.894 4.350 0.000 0.000 0.244 541 T C 0.490 175.184 174.700 -0.009 0.000 0.915 541 T CA -0.346 61.750 62.100 -0.008 0.000 0.935 541 T CB -0.038 68.830 68.868 -0.001 0.000 1.110 541 T HN 0.320 nan 8.240 nan 0.000 0.573 542 I N -1.176 119.379 120.570 -0.025 0.000 5.285 542 I HA 0.201 4.371 4.170 0.000 0.000 0.351 542 I C 1.751 177.837 176.117 -0.053 0.000 1.206 542 I CA -0.149 61.145 61.300 -0.009 0.000 1.527 542 I CB 0.053 38.077 38.000 0.039 0.000 1.694 542 I HN 0.131 nan 8.210 nan 0.000 0.585 543 E N 2.113 122.207 120.200 -0.176 0.000 2.324 543 E HA -0.272 4.078 4.350 0.000 0.000 0.205 543 E C 0.615 177.104 176.600 -0.185 0.000 1.031 543 E CA 1.553 57.689 56.400 -0.441 0.000 0.836 543 E CB -0.170 29.181 29.700 -0.582 0.000 0.742 543 E HN 0.642 nan 8.360 nan 0.000 0.491 544 Q N -0.760 118.992 119.800 -0.080 0.000 2.217 544 Q HA 0.546 4.886 4.340 0.000 0.000 0.340 544 Q C -0.610 175.386 176.000 -0.007 0.000 0.893 544 Q CA -0.443 55.344 55.803 -0.026 0.000 1.142 544 Q CB 1.312 30.036 28.738 -0.023 0.000 1.288 544 Q HN -0.023 nan 8.270 nan 0.000 0.426 545 A N 0.445 123.267 122.820 0.003 0.000 2.303 545 A HA 0.282 4.602 4.320 0.000 0.000 0.317 545 A C 0.414 178.005 177.584 0.011 0.000 1.149 545 A CA -0.556 51.487 52.037 0.010 0.000 0.822 545 A CB 0.664 19.676 19.000 0.020 0.000 1.131 545 A HN 0.295 nan 8.150 nan 0.000 0.493 546 D N 0.026 120.432 120.400 0.009 0.000 2.265 546 D HA -0.070 4.570 4.640 0.000 0.000 0.208 546 D C 0.346 176.650 176.300 0.006 0.000 0.977 546 D CA 1.696 55.700 54.000 0.007 0.000 0.871 546 D CB 0.461 41.264 40.800 0.006 0.000 0.925 546 D HN 0.730 nan 8.370 nan 0.000 0.485 547 E N -0.656 119.550 120.200 0.010 0.000 2.431 547 E HA 0.244 4.594 4.350 0.000 0.000 0.287 547 E C -1.873 174.740 176.600 0.022 0.000 1.032 547 E CA -0.549 55.856 56.400 0.008 0.000 0.839 547 E CB 1.175 30.881 29.700 0.010 0.000 1.218 547 E HN -0.218 nan 8.360 nan 0.000 0.424 548 I N 2.922 123.503 120.570 0.018 0.000 2.389 548 I HA 0.270 4.440 4.170 0.000 0.000 0.288 548 I C -0.496 175.657 176.117 0.061 0.000 0.999 548 I CA -0.686 60.649 61.300 0.058 0.000 1.129 548 I CB 1.876 39.935 38.000 0.097 0.000 1.288 548 I HN 0.255 nan 8.210 nan 0.000 0.444 549 V N 7.254 127.215 119.914 0.078 0.000 2.304 549 V HA 0.252 4.372 4.120 0.000 0.000 0.262 549 V C 0.157 176.309 176.094 0.097 0.000 1.061 549 V CA -0.724 61.621 62.300 0.075 0.000 0.872 549 V CB 0.972 32.838 31.823 0.073 0.000 1.077 549 V HN 0.427 nan 8.190 nan 0.000 0.480 550 V N 5.848 125.828 119.914 0.111 0.000 2.508 550 V HA 0.310 4.430 4.120 0.000 0.000 0.281 550 V C 0.141 176.286 176.094 0.085 0.000 1.041 550 V CA 0.098 62.475 62.300 0.129 0.000 1.016 550 V CB 1.492 33.411 31.823 0.159 0.000 0.984 550 V HN 0.572 nan 8.190 nan 0.000 0.478 551 V N 5.608 125.569 119.914 0.077 0.000 2.686 551 V HA 0.639 4.759 4.120 0.000 0.000 0.306 551 V C -0.687 175.441 176.094 0.057 0.000 1.065 551 V CA -0.232 62.104 62.300 0.060 0.000 0.894 551 V CB 1.902 33.758 31.823 0.056 0.000 1.004 551 V HN 1.023 nan 8.190 nan 0.000 0.424 552 E N 4.380 124.609 120.200 0.049 0.000 2.317 552 E HA 0.305 4.655 4.350 0.000 0.000 0.270 552 E C -0.922 175.702 176.600 0.040 0.000 0.885 552 E CA -0.539 55.888 56.400 0.045 0.000 0.760 552 E CB 1.645 31.370 29.700 0.041 0.000 1.227 552 E HN 0.899 nan 8.360 nan 0.000 0.434 553 D N 2.891 123.314 120.400 0.039 0.000 2.890 553 D HA -0.209 4.431 4.640 0.000 0.000 0.226 553 D C 0.676 177.002 176.300 0.042 0.000 1.207 553 D CA 1.573 55.596 54.000 0.038 0.000 0.764 553 D CB -0.984 39.834 40.800 0.030 0.000 0.948 553 D HN 0.954 nan 8.370 nan 0.000 0.404 554 G N 1.386 110.217 108.800 0.051 0.000 2.216 554 G HA2 -0.323 3.637 3.960 0.000 0.000 0.269 554 G HA3 -0.323 3.637 3.960 0.000 0.000 0.269 554 G C 0.564 175.491 174.900 0.045 0.000 0.981 554 G CA 0.800 45.936 45.100 0.059 0.000 0.658 554 G HN 0.721 nan 8.290 nan 0.000 0.539 555 I N -0.084 120.507 120.570 0.036 0.000 2.619 555 I HA 0.613 4.783 4.170 0.000 0.000 0.292 555 I C 0.346 176.477 176.117 0.024 0.000 1.100 555 I CA -1.523 59.791 61.300 0.023 0.000 1.043 555 I CB 1.542 39.552 38.000 0.017 0.000 1.239 555 I HN 0.146 nan 8.210 nan 0.000 0.420 556 I N 7.141 127.720 120.570 0.014 0.000 2.813 556 I HA 0.039 4.209 4.170 0.000 0.000 0.287 556 I C -0.160 175.969 176.117 0.021 0.000 1.196 556 I CA 0.546 61.858 61.300 0.020 0.000 1.421 556 I CB 0.980 38.984 38.000 0.006 0.000 1.365 556 I HN 0.541 nan 8.210 nan 0.000 0.591 557 V N 4.789 124.722 119.914 0.031 0.000 3.392 557 V HA 0.368 4.488 4.120 0.000 0.000 0.285 557 V C -0.382 175.731 176.094 0.031 0.000 1.582 557 V CA -0.055 62.263 62.300 0.030 0.000 1.034 557 V CB 0.334 32.180 31.823 0.038 0.000 0.846 557 V HN 0.766 nan 8.190 nan 0.000 0.431 558 E N 1.410 121.631 120.200 0.034 0.000 2.597 558 E HA 0.342 4.692 4.350 0.000 0.000 0.310 558 E C -1.368 175.242 176.600 0.017 0.000 0.970 558 E CA -0.276 56.138 56.400 0.023 0.000 0.819 558 E CB 1.639 31.359 29.700 0.032 0.000 1.267 558 E HN 0.339 nan 8.360 nan 0.000 0.411 559 R N 1.956 122.455 120.500 -0.003 0.000 2.320 559 R HA 0.807 5.147 4.340 0.000 0.000 0.319 559 R C 0.144 176.421 176.300 -0.038 0.000 0.969 559 R CA -0.736 55.360 56.100 -0.007 0.000 0.857 559 R CB 1.777 32.078 30.300 0.002 0.000 1.160 559 R HN 0.476 nan 8.270 nan 0.000 0.491 560 G N 0.911 109.671 108.800 -0.067 0.000 2.623 560 G HA2 0.260 4.220 3.960 0.000 0.000 0.290 560 G HA3 0.260 4.220 3.960 0.000 0.000 0.290 560 G C -0.825 173.998 174.900 -0.129 0.000 1.437 560 G CA -0.545 44.493 45.100 -0.103 0.000 0.798 560 G HN 0.261 nan 8.290 nan 0.000 0.488 561 T N -0.103 114.380 114.554 -0.119 0.000 2.860 561 T HA 0.149 4.499 4.350 0.000 0.000 0.299 561 T C 1.482 176.080 174.700 -0.169 0.000 1.045 561 T CA 0.369 62.413 62.100 -0.094 0.000 1.071 561 T CB 0.943 69.775 68.868 -0.060 0.000 0.985 561 T HN 0.717 nan 8.240 nan 0.000 0.537 562 H N 1.362 120.318 119.070 -0.191 0.000 2.400 562 H HA -0.130 4.427 4.556 0.000 0.000 0.295 562 H C 2.294 177.471 175.328 -0.252 0.000 1.118 562 H CA 2.451 58.357 56.048 -0.237 0.000 1.256 562 H CB -0.272 29.434 29.762 -0.093 0.000 1.365 562 H HN 0.459 nan 8.280 nan 0.000 0.502 563 S N -0.567 114.978 115.700 -0.257 0.000 2.336 563 S HA -0.146 4.324 4.470 0.000 0.000 0.214 563 S C 1.973 176.413 174.600 -0.266 0.000 1.032 563 S CA 1.258 59.300 58.200 -0.263 0.000 1.001 563 S CB -0.216 62.912 63.200 -0.119 0.000 0.953 563 S HN 0.710 nan 8.310 nan 0.000 0.430 564 E N 0.929 121.006 120.200 -0.205 0.000 2.065 564 E HA -0.225 4.125 4.350 0.000 0.000 0.201 564 E C 2.200 178.654 176.600 -0.243 0.000 1.016 564 E CA 1.646 57.936 56.400 -0.183 0.000 0.818 564 E CB -0.532 29.085 29.700 -0.138 0.000 0.749 564 E HN 0.434 nan 8.360 nan 0.000 0.453 565 L N 0.666 121.680 121.223 -0.348 0.000 1.956 565 L HA -0.251 4.089 4.340 0.000 0.000 0.216 565 L C 2.607 179.251 176.870 -0.376 0.000 1.073 565 L CA 0.908 55.485 54.840 -0.438 0.000 0.762 565 L CB -0.589 40.910 42.059 -0.933 0.000 0.889 565 L HN 0.244 nan 8.230 nan 0.000 0.433 566 L N -0.094 120.854 121.223 -0.457 0.000 1.991 566 L HA -0.323 4.017 4.340 0.000 0.000 0.221 566 L C 2.783 179.413 176.870 -0.400 0.000 1.079 566 L CA 2.552 57.223 54.840 -0.282 0.000 0.778 566 L CB -1.356 40.506 42.059 -0.329 0.000 0.893 566 L HN 0.376 nan 8.230 nan 0.000 0.437 567 A N -1.051 121.557 122.820 -0.354 0.000 1.908 567 A HA -0.310 4.010 4.320 0.000 0.000 0.218 567 A C 2.210 179.573 177.584 -0.370 0.000 1.181 567 A CA 1.949 53.779 52.037 -0.346 0.000 0.627 567 A CB -0.676 18.215 19.000 -0.182 0.000 0.818 567 A HN 0.655 nan 8.150 nan 0.000 0.445 568 Q N -1.856 117.801 119.800 -0.239 0.000 2.291 568 Q HA -0.211 4.129 4.340 0.000 0.000 0.206 568 Q C -0.244 175.748 176.000 -0.013 0.000 0.976 568 Q CA 1.111 56.851 55.803 -0.105 0.000 0.875 568 Q CB -0.160 28.532 28.738 -0.078 0.000 0.927 568 Q HN 0.739 nan 8.270 nan 0.000 0.450 569 H N -2.076 117.005 119.070 0.019 0.000 2.770 569 H HA -0.152 4.404 4.556 0.000 0.000 0.309 569 H C -0.329 175.026 175.328 0.045 0.000 1.206 569 H CA 0.991 57.064 56.048 0.041 0.000 1.147 569 H CB -1.798 27.981 29.762 0.028 0.000 1.422 569 H HN 0.409 nan 8.280 nan 0.000 0.420 570 G N -0.055 108.820 108.800 0.125 0.000 2.788 570 G HA2 0.431 4.391 3.960 0.000 0.000 0.327 570 G HA3 0.431 4.391 3.960 0.000 0.000 0.327 570 G C 0.947 175.921 174.900 0.122 0.000 1.249 570 G CA 0.267 45.429 45.100 0.104 0.000 1.063 570 G HN 0.525 nan 8.290 nan 0.000 0.497 571 V N 2.555 122.534 119.914 0.109 0.000 1.282 571 V HA -0.436 3.684 4.120 0.000 0.000 0.028 571 V C 1.724 177.887 176.094 0.115 0.000 1.758 571 V CA 3.260 65.615 62.300 0.091 0.000 2.654 571 V CB -1.588 30.275 31.823 0.066 0.000 1.549 571 V HN 0.957 nan 8.190 nan 0.000 0.905 572 Y N 1.179 121.497 120.300 0.030 0.000 2.130 572 Y HA 0.131 4.681 4.550 0.000 0.000 0.287 572 Y C 2.334 178.265 175.900 0.052 0.000 1.124 572 Y CA 3.234 61.353 58.100 0.031 0.000 1.118 572 Y CB -1.009 37.456 38.460 0.009 0.000 0.994 572 Y HN 0.421 nan 8.280 nan 0.000 0.497 573 A N 0.942 124.023 122.820 0.435 0.000 1.896 573 A HA -0.351 3.969 4.320 0.000 0.000 0.220 573 A C 2.272 179.955 177.584 0.166 0.000 1.206 573 A CA 2.315 54.545 52.037 0.322 0.000 0.647 573 A CB -1.208 17.939 19.000 0.245 0.000 0.828 573 A HN 0.650 nan 8.150 nan 0.000 0.455 574 Q N -0.296 119.572 119.800 0.113 0.000 2.029 574 Q HA -0.213 4.127 4.340 0.000 0.000 0.209 574 Q C 2.176 178.151 176.000 -0.042 0.000 0.999 574 Q CA 2.233 58.056 55.803 0.033 0.000 0.857 574 Q CB -0.467 28.287 28.738 0.027 0.000 0.926 574 Q HN 0.746 nan 8.270 nan 0.000 0.415 575 L N -0.618 120.562 121.223 -0.072 0.000 2.083 575 L HA -0.199 4.141 4.340 0.000 0.000 0.209 575 L C 2.468 179.249 176.870 -0.149 0.000 1.083 575 L CA 1.369 56.126 54.840 -0.138 0.000 0.752 575 L CB -0.584 41.365 42.059 -0.184 0.000 0.899 575 L HN 0.300 nan 8.230 nan 0.000 0.433 576 H N 0.104 119.022 119.070 -0.253 0.000 2.546 576 H HA -0.083 4.473 4.556 0.000 0.000 0.277 576 H C 2.062 177.229 175.328 -0.268 0.000 1.004 576 H CA 0.931 56.860 56.048 -0.198 0.000 1.231 576 H CB 0.213 29.963 29.762 -0.021 0.000 1.382 576 H HN 0.035 nan 8.280 nan 0.000 0.580 577 K N -0.006 120.232 120.400 -0.271 0.000 2.063 577 K HA -0.022 4.298 4.320 0.000 0.000 0.204 577 K C 1.798 178.029 176.600 -0.615 0.000 1.039 577 K CA 0.793 56.829 56.287 -0.419 0.000 0.957 577 K CB -0.104 32.300 32.500 -0.160 0.000 0.764 577 K HN 0.241 nan 8.250 nan 0.000 0.447 578 M N 1.975 121.362 119.600 -0.355 0.000 2.331 578 M HA -0.192 4.288 4.480 0.000 0.000 0.260 578 M C 1.881 177.948 176.300 -0.389 0.000 1.072 578 M CA 1.261 56.383 55.300 -0.297 0.000 1.065 578 M CB -1.085 31.402 32.600 -0.187 0.000 1.392 578 M HN 0.244 nan 8.290 nan 0.000 0.427 579 Q N 0.672 120.157 119.800 -0.525 0.000 2.207 579 Q HA -0.203 4.137 4.340 0.000 0.000 0.215 579 Q C 0.666 176.483 176.000 -0.305 0.000 1.006 579 Q CA 1.945 57.481 55.803 -0.446 0.000 0.903 579 Q CB -0.073 28.315 28.738 -0.583 0.000 0.947 579 Q HN 0.600 nan 8.270 nan 0.000 0.414 580 F N -3.793 116.112 119.950 -0.075 0.000 3.430 580 F HA 0.722 5.249 4.527 0.000 0.000 0.299 580 F C 0.564 176.337 175.800 -0.045 0.000 1.472 580 F CA -0.403 57.563 58.000 -0.055 0.000 1.004 580 F CB 0.187 39.152 39.000 -0.058 0.000 1.708 580 F HN 0.035 nan 8.300 nan 0.000 0.435 581 G N 0.000 109.022 108.800 0.371 0.000 5.446 581 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 581 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 581 G CA 0.000 45.213 45.100 0.188 0.000 0.502 581 G HN 0.000 nan 8.290 nan 0.000 0.925