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 2poz_1_E DATA FIRST_RESID 3 DATA SEQUENCE LKITGVNIYL LKSGRLHPVL VEISTDEGIT GAGEAGIAYG VGGTAAAGXI DATA SEQUENCE KDLSERFLIG KDPSRIEELW STXYDHSFWA KNGGAIIFAG ISAIEQALWD DATA SEQUENCE IKGKCLGVPV YELFGGKIRD RVRAYANGWY GAADTPDEFA RAVERPLKEG DATA SEQUENCE YGALKFYPLA QRVGSALQHV TRRSXSAEAI ELAYRRVKAV RDAAGPEIEL DATA SEQUENCE XVDLSGGLTT DETIRFCRKI GELDICFVEE PCDPFDNGAL KVISEQIPLP DATA SEQUENCE IAVGERVYTR FGFRKIFELQ ACGIIQPDIG TAGGLXETKK ICAXAEAYNX DATA SEQUENCE RVAPHVCGSS LIETATLQLE ANITNFXIHE HYPAFKADDG YVEVLENPPS DATA SEQUENCE ISSGYFEXPN GPGLGAVLIK RNIEPYLWAS CT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.876 176.870 0.010 0.000 1.165 3 L CA 0.000 54.845 54.840 0.008 0.000 0.813 3 L CB 0.000 42.062 42.059 0.005 0.000 0.961 4 K N 1.808 122.216 120.400 0.013 0.000 2.535 4 K HA 0.540 4.860 4.320 -0.000 0.000 0.251 4 K C -1.404 175.208 176.600 0.020 0.000 0.942 4 K CA -0.605 55.692 56.287 0.017 0.000 0.798 4 K CB 1.923 34.432 32.500 0.016 0.000 1.267 4 K HN 0.497 nan 8.250 nan 0.000 0.434 5 I N 4.237 124.822 120.570 0.025 0.000 2.517 5 I HA -0.019 4.151 4.170 -0.000 0.000 0.285 5 I C 1.428 177.561 176.117 0.028 0.000 1.106 5 I CA 0.232 61.550 61.300 0.030 0.000 1.402 5 I CB 1.157 39.181 38.000 0.039 0.000 1.399 5 I HN 0.821 nan 8.210 nan 0.000 0.535 6 T N 1.277 115.847 114.554 0.027 0.000 3.015 6 T HA 0.344 4.694 4.350 -0.000 0.000 0.250 6 T C 0.649 175.363 174.700 0.023 0.000 1.057 6 T CA 0.089 62.203 62.100 0.023 0.000 1.066 6 T CB 0.634 69.515 68.868 0.021 0.000 0.959 6 T HN 0.734 nan 8.240 nan 0.000 0.488 7 G N 0.015 108.833 108.800 0.030 0.000 2.601 7 G HA2 0.528 4.488 3.960 -0.000 0.000 0.291 7 G HA3 0.528 4.488 3.960 -0.000 0.000 0.291 7 G C -2.196 172.727 174.900 0.040 0.000 1.456 7 G CA -0.609 44.509 45.100 0.029 0.000 0.804 7 G HN 0.268 nan 8.290 nan 0.000 0.499 8 V N 0.758 120.692 119.914 0.034 0.000 2.623 8 V HA 0.469 4.588 4.120 -0.000 0.000 0.304 8 V C -0.395 175.708 176.094 0.014 0.000 1.054 8 V CA -0.993 61.333 62.300 0.043 0.000 0.882 8 V CB 1.737 33.592 31.823 0.052 0.000 1.002 8 V HN 0.740 nan 8.190 nan 0.000 0.424 9 N N 3.651 122.353 118.700 0.004 0.000 2.362 9 N HA 0.738 5.478 4.740 -0.000 0.000 0.298 9 N C -1.407 173.981 175.510 -0.204 0.000 1.048 9 N CA -0.682 52.282 53.050 -0.143 0.000 0.858 9 N CB 2.292 40.669 38.487 -0.183 0.000 1.218 9 N HN 0.460 nan 8.380 nan 0.000 0.488 10 I N 2.620 123.031 120.570 -0.265 0.000 2.406 10 I HA 0.291 4.461 4.170 -0.000 0.000 0.290 10 I C -1.118 174.866 176.117 -0.222 0.000 0.999 10 I CA -0.462 60.777 61.300 -0.103 0.000 1.124 10 I CB 0.734 38.811 38.000 0.127 0.000 1.289 10 I HN 0.407 nan 8.210 nan 0.000 0.441 11 Y N 6.223 126.618 120.300 0.157 0.000 2.341 11 Y HA 0.609 5.159 4.550 -0.000 0.000 0.338 11 Y C -0.461 175.500 175.900 0.102 0.000 0.965 11 Y CA -0.936 57.268 58.100 0.174 0.000 1.108 11 Y CB 1.700 40.250 38.460 0.150 0.000 1.180 11 Y HN 0.355 nan 8.280 nan 0.000 0.458 12 L N 5.429 126.807 121.223 0.259 0.000 2.313 12 L HA 0.547 4.887 4.340 -0.000 0.000 0.273 12 L C -1.617 175.315 176.870 0.104 0.000 1.028 12 L CA -0.610 54.277 54.840 0.078 0.000 0.871 12 L CB -0.042 41.963 42.059 -0.090 0.000 1.242 12 L HN 0.490 nan 8.230 nan 0.000 0.434 13 L N 3.840 125.019 121.223 -0.074 0.000 2.399 13 L HA 0.510 4.849 4.340 -0.000 0.000 0.265 13 L C 0.162 176.800 176.870 -0.388 0.000 1.089 13 L CA -0.089 54.435 54.840 -0.526 0.000 0.802 13 L CB 0.917 42.648 42.059 -0.547 0.000 1.180 13 L HN 0.504 nan 8.230 nan 0.000 0.454 14 K N 0.801 120.837 120.400 -0.606 0.000 2.425 14 K HA 0.524 4.843 4.320 -0.000 0.000 0.259 14 K C -1.005 175.440 176.600 -0.258 0.000 0.978 14 K CA -0.091 56.067 56.287 -0.216 0.000 0.883 14 K CB 1.047 33.529 32.500 -0.031 0.000 1.110 14 K HN 0.498 nan 8.250 nan 0.000 0.436 15 S N 3.641 119.245 115.700 -0.159 0.000 2.539 15 S HA 0.517 4.987 4.470 -0.000 0.000 0.235 15 S C 0.210 174.791 174.600 -0.033 0.000 1.326 15 S CA 0.370 58.499 58.200 -0.119 0.000 1.183 15 S CB 0.333 63.439 63.200 -0.157 0.000 1.073 15 S HN 1.086 nan 8.310 nan 0.000 0.480 16 G N 5.469 114.261 108.800 -0.014 0.000 2.556 16 G HA2 -0.348 3.611 3.960 -0.000 0.000 0.283 16 G HA3 -0.348 3.611 3.960 -0.000 0.000 0.283 16 G C 0.646 175.476 174.900 -0.117 0.000 1.177 16 G CA 0.389 45.458 45.100 -0.051 0.000 0.978 16 G HN 0.970 nan 8.290 nan 0.000 0.554 17 R N 0.427 120.784 120.500 -0.239 0.000 2.307 17 R HA 0.309 4.649 4.340 -0.000 0.000 0.199 17 R C 1.144 177.333 176.300 -0.184 0.000 1.000 17 R CA 0.605 56.566 56.100 -0.231 0.000 1.023 17 R CB -0.292 29.788 30.300 -0.366 0.000 0.908 17 R HN 0.460 nan 8.270 nan 0.000 0.473 18 L N 1.125 122.240 121.223 -0.181 0.000 2.365 18 L HA 0.358 4.697 4.340 -0.000 0.000 0.267 18 L C -0.419 176.382 176.870 -0.115 0.000 1.033 18 L CA -1.417 53.319 54.840 -0.173 0.000 0.802 18 L CB 1.371 43.370 42.059 -0.099 0.000 1.267 18 L HN 0.247 nan 8.230 nan 0.000 0.457 19 H N -2.143 116.912 119.070 -0.024 0.000 2.439 19 H HA 0.437 4.993 4.556 -0.000 0.000 0.228 19 H C -2.846 172.447 175.328 -0.057 0.000 1.423 19 H CA -2.534 53.474 56.048 -0.066 0.000 1.386 19 H CB -0.275 29.451 29.762 -0.061 0.000 1.641 19 H HN 0.186 nan 8.280 nan 0.000 0.508 20 P HA -0.021 nan 4.420 nan 0.000 0.265 20 P C -0.302 177.019 177.300 0.035 0.000 1.187 20 P CA -0.123 62.983 63.100 0.009 0.000 0.766 20 P CB 1.133 32.825 31.700 -0.013 0.000 0.820 21 V N 5.077 125.021 119.914 0.050 0.000 2.378 21 V HA 0.361 4.480 4.120 -0.000 0.000 0.288 21 V C 0.172 176.317 176.094 0.085 0.000 1.016 21 V CA -0.375 61.950 62.300 0.043 0.000 0.840 21 V CB 0.932 32.750 31.823 -0.009 0.000 0.994 21 V HN 0.350 nan 8.190 nan 0.000 0.431 22 L N 4.890 126.202 121.223 0.150 0.000 2.333 22 L HA 0.813 5.153 4.340 -0.000 0.000 0.269 22 L C -0.595 176.432 176.870 0.263 0.000 1.010 22 L CA -1.016 53.942 54.840 0.197 0.000 0.818 22 L CB 2.226 44.402 42.059 0.195 0.000 1.306 22 L HN 0.426 nan 8.230 nan 0.000 0.430 23 V N 1.324 121.374 119.914 0.227 0.000 2.789 23 V HA 0.498 4.618 4.120 -0.000 0.000 0.311 23 V C -1.251 174.977 176.094 0.223 0.000 1.073 23 V CA -0.194 62.231 62.300 0.209 0.000 0.921 23 V CB 2.316 34.225 31.823 0.142 0.000 1.009 23 V HN 0.908 nan 8.190 nan 0.000 0.426 24 E N 5.720 126.058 120.200 0.230 0.000 2.241 24 E HA 0.501 4.850 4.350 -0.000 0.000 0.263 24 E C -1.627 175.058 176.600 0.142 0.000 0.882 24 E CA -0.618 55.904 56.400 0.202 0.000 0.769 24 E CB 1.737 31.608 29.700 0.286 0.000 1.185 24 E HN 0.712 nan 8.360 nan 0.000 0.415 25 I N 2.957 123.594 120.570 0.111 0.000 2.359 25 I HA 0.274 4.444 4.170 -0.000 0.000 0.294 25 I C -0.105 176.055 176.117 0.073 0.000 0.987 25 I CA -0.594 60.758 61.300 0.086 0.000 1.225 25 I CB 1.903 39.950 38.000 0.078 0.000 1.366 25 I HN 0.376 nan 8.210 nan 0.000 0.466 26 S N 3.449 119.186 115.700 0.063 0.000 2.549 26 S HA 0.632 5.102 4.470 -0.000 0.000 0.297 26 S C 0.013 174.637 174.600 0.040 0.000 1.115 26 S CA -0.698 57.533 58.200 0.052 0.000 1.059 26 S CB 1.856 65.087 63.200 0.051 0.000 1.046 26 S HN 0.755 nan 8.310 nan 0.000 0.506 27 T N -1.633 112.941 114.554 0.034 0.000 2.942 27 T HA 0.400 4.750 4.350 -0.000 0.000 0.289 27 T C 0.181 174.895 174.700 0.023 0.000 1.044 27 T CA -0.881 61.235 62.100 0.027 0.000 1.023 27 T CB 1.136 70.017 68.868 0.023 0.000 1.123 27 T HN 0.519 nan 8.240 nan 0.000 0.512 28 D N -0.560 119.851 120.400 0.019 0.000 2.371 28 D HA -0.036 4.604 4.640 -0.000 0.000 0.234 28 D C 0.643 176.952 176.300 0.015 0.000 1.049 28 D CA 0.300 54.309 54.000 0.016 0.000 0.907 28 D CB -0.098 40.711 40.800 0.014 0.000 0.891 28 D HN 0.829 nan 8.370 nan 0.000 0.531 29 E N -1.022 119.188 120.200 0.016 0.000 2.758 29 E HA 0.314 4.663 4.350 -0.000 0.000 0.215 29 E C 0.820 177.430 176.600 0.016 0.000 0.985 29 E CA 0.050 56.459 56.400 0.014 0.000 1.102 29 E CB 0.856 30.564 29.700 0.012 0.000 1.042 29 E HN 0.297 nan 8.360 nan 0.000 0.480 30 G N 1.785 110.596 108.800 0.019 0.000 2.179 30 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 30 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 30 G C 0.284 175.198 174.900 0.023 0.000 0.977 30 G CA -0.019 45.094 45.100 0.021 0.000 0.641 30 G HN 0.269 nan 8.290 nan 0.000 0.533 31 I N 2.451 123.035 120.570 0.022 0.000 2.342 31 I HA 0.449 4.619 4.170 -0.000 0.000 0.291 31 I C 0.934 177.069 176.117 0.031 0.000 1.010 31 I CA 0.164 61.478 61.300 0.023 0.000 1.308 31 I CB 1.344 39.355 38.000 0.018 0.000 1.400 31 I HN 0.272 nan 8.210 nan 0.000 0.488 32 T N 2.109 116.685 114.554 0.036 0.000 2.912 32 T HA 0.752 5.102 4.350 -0.000 0.000 0.288 32 T C -0.161 174.570 174.700 0.053 0.000 1.030 32 T CA -0.813 61.316 62.100 0.048 0.000 1.020 32 T CB 1.991 70.892 68.868 0.056 0.000 1.056 32 T HN 0.699 nan 8.240 nan 0.000 0.480 33 G N 0.144 108.983 108.800 0.065 0.000 2.461 33 G HA2 0.708 4.668 3.960 -0.000 0.000 0.323 33 G HA3 0.708 4.668 3.960 -0.000 0.000 0.323 33 G C -0.885 174.070 174.900 0.093 0.000 1.229 33 G CA -0.914 44.231 45.100 0.074 0.000 0.941 33 G HN 1.114 nan 8.290 nan 0.000 0.477 34 A N 0.615 123.491 122.820 0.093 0.000 2.350 34 A HA 1.011 5.331 4.320 -0.000 0.000 0.324 34 A C 0.240 177.893 177.584 0.116 0.000 1.118 34 A CA -0.119 51.980 52.037 0.103 0.000 0.783 34 A CB 1.898 20.946 19.000 0.079 0.000 1.236 34 A HN 1.697 nan 8.150 nan 0.000 0.457 35 G N -0.183 108.694 108.800 0.128 0.000 2.695 35 G HA2 0.595 4.554 3.960 -0.000 0.000 0.290 35 G HA3 0.595 4.554 3.960 -0.000 0.000 0.290 35 G C -1.543 173.436 174.900 0.130 0.000 1.410 35 G CA -0.402 44.780 45.100 0.136 0.000 0.844 35 G HN 0.859 nan 8.290 nan 0.000 0.478 36 E N -0.366 119.912 120.200 0.129 0.000 2.278 36 E HA 0.604 4.954 4.350 -0.000 0.000 0.272 36 E C -0.283 176.390 176.600 0.122 0.000 0.890 36 E CA -0.863 55.607 56.400 0.117 0.000 0.770 36 E CB 1.887 31.650 29.700 0.104 0.000 1.212 36 E HN 0.802 nan 8.360 nan 0.000 0.415 37 A N 2.681 125.563 122.820 0.103 0.000 2.354 37 A HA 0.512 4.831 4.320 -0.000 0.000 0.269 37 A C 0.838 178.480 177.584 0.097 0.000 1.109 37 A CA 0.146 52.241 52.037 0.096 0.000 0.800 37 A CB 0.740 19.773 19.000 0.055 0.000 1.045 37 A HN 0.737 nan 8.150 nan 0.000 0.489 38 G N 1.297 110.169 108.800 0.120 0.000 3.414 38 G HA2 0.382 4.342 3.960 -0.000 0.000 0.258 38 G HA3 0.382 4.342 3.960 -0.000 0.000 0.258 38 G C 0.133 175.058 174.900 0.042 0.000 1.348 38 G CA -0.032 45.151 45.100 0.138 0.000 1.319 38 G HN 0.534 nan 8.290 nan 0.000 0.555 39 I N 1.356 121.921 120.570 -0.008 0.000 3.004 39 I HA 0.253 4.423 4.170 -0.000 0.000 0.328 39 I C 1.338 177.418 176.117 -0.063 0.000 1.296 39 I CA -0.827 60.414 61.300 -0.098 0.000 1.005 39 I CB 0.138 38.110 38.000 -0.047 0.000 1.928 39 I HN 0.169 nan 8.210 nan 0.000 0.545 40 A N 2.394 125.145 122.820 -0.115 0.000 2.132 40 A HA 0.120 4.440 4.320 -0.000 0.000 0.213 40 A C 0.713 177.994 177.584 -0.505 0.000 1.154 40 A CA 0.720 52.646 52.037 -0.185 0.000 0.753 40 A CB -0.062 18.961 19.000 0.039 0.000 0.826 40 A HN 0.529 nan 8.150 nan 0.000 0.469 41 Y N -4.447 115.661 120.300 -0.320 0.000 2.698 41 Y HA 0.661 5.211 4.550 -0.000 0.000 0.332 41 Y C 0.744 176.661 175.900 0.028 0.000 1.119 41 Y CA -1.258 56.703 58.100 -0.233 0.000 1.109 41 Y CB 0.232 38.655 38.460 -0.061 0.000 1.308 41 Y HN 0.771 nan 8.280 nan 0.000 0.499 42 G N -0.127 108.793 108.800 0.200 0.000 2.642 42 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.231 42 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.231 42 G C -1.627 173.373 174.900 0.167 0.000 1.338 42 G CA -0.444 44.742 45.100 0.144 0.000 0.883 42 G HN 1.078 nan 8.290 nan 0.000 0.570 43 V N 0.874 120.829 119.914 0.068 0.000 2.384 43 V HA 0.718 4.838 4.120 -0.000 0.000 0.287 43 V C 1.159 177.229 176.094 -0.039 0.000 1.020 43 V CA 1.152 63.459 62.300 0.012 0.000 0.850 43 V CB 0.600 32.424 31.823 0.002 0.000 0.987 43 V HN 2.659 nan 8.190 nan 0.000 0.436 44 G N 3.388 112.127 108.800 -0.102 0.000 2.507 44 G HA2 -0.087 3.872 3.960 -0.000 0.000 0.205 44 G HA3 -0.087 3.872 3.960 -0.000 0.000 0.205 44 G C 0.878 175.680 174.900 -0.163 0.000 0.996 44 G CA 0.195 45.223 45.100 -0.120 0.000 0.776 44 G HN 1.064 nan 8.290 nan 0.000 0.532 45 G N 0.739 109.377 108.800 -0.270 0.000 2.469 45 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.219 45 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.219 45 G C 1.636 176.344 174.900 -0.319 0.000 1.150 45 G CA 2.452 47.382 45.100 -0.283 0.000 0.763 45 G HN 0.593 nan 8.290 nan 0.000 0.561 46 T N 1.327 115.675 114.554 -0.343 0.000 2.951 46 T HA 0.166 4.516 4.350 -0.000 0.000 0.268 46 T C 2.739 177.226 174.700 -0.354 0.000 1.073 46 T CA 1.177 63.045 62.100 -0.386 0.000 1.134 46 T CB -0.169 68.581 68.868 -0.196 0.000 0.884 46 T HN 0.383 nan 8.240 nan 0.000 0.479 47 A N 1.513 124.195 122.820 -0.230 0.000 1.897 47 A HA 0.286 4.606 4.320 -0.000 0.000 0.215 47 A C 2.651 180.119 177.584 -0.192 0.000 1.181 47 A CA 1.521 53.456 52.037 -0.172 0.000 0.620 47 A CB -1.046 17.874 19.000 -0.133 0.000 0.821 47 A HN 0.483 nan 8.150 nan 0.000 0.443 48 A N 0.081 122.781 122.820 -0.201 0.000 1.877 48 A HA 0.127 4.446 4.320 -0.000 0.000 0.216 48 A C 2.519 179.973 177.584 -0.216 0.000 1.186 48 A CA 2.206 54.145 52.037 -0.164 0.000 0.620 48 A CB -1.084 17.844 19.000 -0.120 0.000 0.822 48 A HN 1.055 nan 8.150 nan 0.000 0.443 49 A N -0.172 122.405 122.820 -0.405 0.000 1.902 49 A HA 0.271 4.591 4.320 -0.000 0.000 0.217 49 A C 1.794 179.109 177.584 -0.447 0.000 1.181 49 A CA 1.435 53.125 52.037 -0.578 0.000 0.623 49 A CB -1.495 16.732 19.000 -1.289 0.000 0.818 49 A HN 0.874 nan 8.150 nan 0.000 0.443 53 K N 1.895 122.365 120.400 0.116 0.000 2.026 53 K HA -0.181 4.138 4.320 -0.000 0.000 0.208 53 K C 1.326 177.973 176.600 0.078 0.000 1.048 53 K CA 2.355 58.724 56.287 0.136 0.000 0.929 53 K CB 0.083 32.737 32.500 0.256 0.000 0.713 53 K HN 0.200 nan 8.250 nan 0.000 0.439 54 D N 0.974 121.416 120.400 0.070 0.000 2.117 54 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 54 D C 2.070 178.373 176.300 0.005 0.000 0.987 54 D CA 0.999 55.015 54.000 0.028 0.000 0.829 54 D CB -0.136 40.685 40.800 0.036 0.000 0.961 54 D HN 0.242 nan 8.370 nan 0.000 0.460 55 L N 0.639 121.905 121.223 0.071 0.000 2.027 55 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 55 L C 2.572 179.522 176.870 0.133 0.000 1.074 55 L CA 0.881 55.821 54.840 0.167 0.000 0.745 55 L CB -0.401 41.781 42.059 0.205 0.000 0.898 55 L HN -0.059 nan 8.230 nan 0.000 0.433 56 S N -0.192 115.565 115.700 0.095 0.000 2.353 56 S HA -0.245 4.225 4.470 -0.000 0.000 0.222 56 S C 1.842 176.456 174.600 0.024 0.000 1.035 56 S CA 1.572 59.819 58.200 0.078 0.000 1.025 56 S CB -0.297 62.944 63.200 0.067 0.000 0.902 56 S HN 0.424 nan 8.310 nan 0.000 0.440 57 E N 0.069 120.260 120.200 -0.014 0.000 2.265 57 E HA -0.133 4.217 4.350 -0.000 0.000 0.196 57 E C 2.205 178.730 176.600 -0.125 0.000 0.996 57 E CA 0.732 57.100 56.400 -0.053 0.000 0.832 57 E CB 0.042 29.713 29.700 -0.049 0.000 0.756 57 E HN 0.144 nan 8.360 nan 0.000 0.491 58 R N -0.586 119.771 120.500 -0.240 0.000 2.128 58 R HA 0.038 4.377 4.340 -0.000 0.000 0.211 58 R C 0.944 176.915 176.300 -0.549 0.000 1.067 58 R CA 1.095 56.885 56.100 -0.517 0.000 1.010 58 R CB 0.131 29.880 30.300 -0.918 0.000 0.922 58 R HN 0.073 nan 8.270 nan 0.000 0.457 59 F N -1.150 118.815 119.950 0.024 0.000 2.752 59 F HA 0.337 4.864 4.527 -0.000 0.000 0.310 59 F C 1.346 177.163 175.800 0.030 0.000 1.097 59 F CA -0.145 57.873 58.000 0.029 0.000 1.238 59 F CB 0.310 39.332 39.000 0.037 0.000 1.061 59 F HN -0.128 nan 8.300 nan 0.000 0.591 60 L N -0.621 120.706 121.223 0.174 0.000 2.269 60 L HA 0.201 4.541 4.340 -0.000 0.000 0.200 60 L C 0.334 177.248 176.870 0.073 0.000 1.069 60 L CA -0.061 54.851 54.840 0.120 0.000 0.804 60 L CB -0.245 41.879 42.059 0.109 0.000 0.987 60 L HN -0.169 nan 8.230 nan 0.000 0.468 61 I N 1.885 122.484 120.570 0.049 0.000 2.919 61 I HA -0.007 4.163 4.170 -0.000 0.000 0.299 61 I C 1.394 177.529 176.117 0.030 0.000 1.221 61 I CA 1.285 62.603 61.300 0.031 0.000 1.424 61 I CB -0.421 37.587 38.000 0.014 0.000 1.358 61 I HN 0.426 nan 8.210 nan 0.000 0.551 62 G N 3.931 112.748 108.800 0.028 0.000 2.179 62 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.260 62 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.260 62 G C 0.522 175.440 174.900 0.030 0.000 0.977 62 G CA -0.266 44.849 45.100 0.025 0.000 0.641 62 G HN 0.453 nan 8.290 nan 0.000 0.533 63 K N 0.777 121.201 120.400 0.040 0.000 2.118 63 K HA 0.393 4.713 4.320 -0.000 0.000 0.264 63 K C -0.305 176.314 176.600 0.031 0.000 1.000 63 K CA -0.795 55.518 56.287 0.043 0.000 0.929 63 K CB 0.978 33.516 32.500 0.063 0.000 1.021 63 K HN 0.189 nan 8.250 nan 0.000 0.463 64 D N 3.283 123.698 120.400 0.025 0.000 2.339 64 D HA 0.050 4.690 4.640 -0.000 0.000 0.256 64 D C -1.421 174.881 176.300 0.004 0.000 1.214 64 D CA -1.859 52.148 54.000 0.013 0.000 0.877 64 D CB 0.973 41.779 40.800 0.010 0.000 1.111 64 D HN 0.125 nan 8.370 nan 0.000 0.478 65 P HA -0.121 nan 4.420 nan 0.000 0.226 65 P C 1.067 178.326 177.300 -0.069 0.000 1.153 65 P CA 0.538 63.623 63.100 -0.024 0.000 0.777 65 P CB 0.164 31.855 31.700 -0.014 0.000 0.794 66 S N 0.039 115.703 115.700 -0.060 0.000 2.453 66 S HA -0.042 4.428 4.470 -0.000 0.000 0.231 66 S C 1.499 176.036 174.600 -0.104 0.000 1.005 66 S CA 0.146 58.291 58.200 -0.090 0.000 0.949 66 S CB -0.838 62.332 63.200 -0.050 0.000 0.774 66 S HN 0.117 nan 8.310 nan 0.000 0.510 67 R N 1.147 121.610 120.500 -0.062 0.000 4.680 67 R HA 0.365 4.705 4.340 -0.000 0.000 0.222 67 R C 0.723 176.995 176.300 -0.046 0.000 1.803 67 R CA -0.149 55.928 56.100 -0.039 0.000 1.560 67 R CB -0.484 29.818 30.300 0.002 0.000 1.412 67 R HN 0.512 nan 8.270 nan 0.000 0.815 68 I N 0.516 121.004 120.570 -0.136 0.000 2.127 68 I HA -0.326 3.844 4.170 -0.000 0.000 0.241 68 I C 2.132 178.262 176.117 0.022 0.000 1.075 68 I CA 1.361 62.573 61.300 -0.146 0.000 1.334 68 I CB -0.153 37.550 38.000 -0.496 0.000 1.040 68 I HN 0.341 nan 8.210 nan 0.000 0.405 69 E N 0.676 120.890 120.200 0.023 0.000 2.097 69 E HA -0.292 4.058 4.350 -0.000 0.000 0.196 69 E C 2.041 178.729 176.600 0.147 0.000 1.000 69 E CA 1.482 57.938 56.400 0.094 0.000 0.804 69 E CB -0.271 29.463 29.700 0.057 0.000 0.740 69 E HN 0.558 nan 8.360 nan 0.000 0.454 70 E N 0.017 120.276 120.200 0.099 0.000 2.106 70 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 70 E C 2.024 178.693 176.600 0.114 0.000 0.984 70 E CA 0.346 56.809 56.400 0.105 0.000 0.806 70 E CB 0.162 29.905 29.700 0.072 0.000 0.750 70 E HN 0.029 nan 8.360 nan 0.000 0.458 71 L N -0.152 121.133 121.223 0.104 0.000 2.027 71 L HA -0.139 4.201 4.340 -0.000 0.000 0.206 71 L C 2.020 178.947 176.870 0.095 0.000 1.074 71 L CA 1.617 56.506 54.840 0.082 0.000 0.745 71 L CB -1.439 40.667 42.059 0.078 0.000 0.898 71 L HN 0.376 nan 8.230 nan 0.000 0.433 72 W N -0.105 121.205 121.300 0.017 0.000 2.335 72 W HA -0.277 4.382 4.660 -0.000 0.000 0.311 72 W C 3.084 179.640 176.519 0.063 0.000 1.213 72 W CA 2.329 59.709 57.345 0.058 0.000 1.274 72 W CB -0.210 29.307 29.460 0.095 0.000 1.148 72 W HN 0.150 nan 8.180 nan 0.000 0.498 73 S N -0.491 115.477 115.700 0.447 0.000 2.368 73 S HA -0.118 4.351 4.470 -0.000 0.000 0.225 73 S C 1.132 175.807 174.600 0.125 0.000 1.030 73 S CA 1.610 60.016 58.200 0.343 0.000 0.999 73 S CB -0.894 62.457 63.200 0.252 0.000 0.844 73 S HN 0.139 nan 8.310 nan 0.000 0.459 77 D N 0.254 120.534 120.400 -0.201 0.000 2.144 77 D HA -0.064 4.576 4.640 -0.000 0.000 0.200 77 D C 1.023 176.898 176.300 -0.709 0.000 0.978 77 D CA 1.952 55.668 54.000 -0.473 0.000 0.833 77 D CB -0.093 40.341 40.800 -0.609 0.000 0.961 77 D HN 0.572 nan 8.370 nan 0.000 0.470 78 H N -1.183 117.840 119.070 -0.077 0.000 2.674 78 H HA 0.250 4.806 4.556 -0.000 0.000 0.274 78 H C 1.388 176.847 175.328 0.218 0.000 1.121 78 H CA 0.254 56.351 56.048 0.083 0.000 1.132 78 H CB 0.492 30.378 29.762 0.207 0.000 1.606 78 H HN 0.071 nan 8.280 nan 0.000 0.558 79 S N -0.575 115.203 115.700 0.129 0.000 2.501 79 S HA -0.038 4.432 4.470 -0.000 0.000 0.220 79 S C 1.311 175.949 174.600 0.064 0.000 0.997 79 S CA 0.247 58.568 58.200 0.202 0.000 0.919 79 S CB 0.050 63.296 63.200 0.076 0.000 0.778 79 S HN 0.402 nan 8.310 nan 0.000 0.523 80 F N 0.296 120.059 119.950 -0.312 0.000 2.545 80 F HA -0.336 4.191 4.527 -0.000 0.000 0.690 80 F C 0.553 175.940 175.800 -0.688 0.000 0.488 80 F CA 1.618 59.272 58.000 -0.576 0.000 0.791 80 F CB -1.670 36.842 39.000 -0.812 0.000 1.653 80 F HN 0.345 nan 8.300 nan 0.000 0.266 81 W N 1.012 122.286 121.300 -0.043 0.000 2.937 81 W HA 0.418 5.078 4.660 -0.000 0.000 0.245 81 W C 2.175 178.512 176.519 -0.303 0.000 1.306 81 W CA 0.896 58.155 57.345 -0.143 0.000 1.470 81 W CB -0.736 28.702 29.460 -0.035 0.000 1.132 81 W HN 0.356 nan 8.180 nan 0.000 0.675 82 A N 0.666 123.284 122.820 -0.336 0.000 1.968 82 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 82 A C 1.190 178.588 177.584 -0.311 0.000 1.169 82 A CA 0.533 52.252 52.037 -0.530 0.000 0.638 82 A CB -0.372 18.206 19.000 -0.702 0.000 0.812 82 A HN 0.121 nan 8.150 nan 0.000 0.446 83 K N 0.884 120.993 120.400 -0.486 0.000 2.402 83 K HA 0.073 4.392 4.320 -0.000 0.000 0.285 83 K C 0.102 176.685 176.600 -0.028 0.000 1.054 83 K CA 0.387 56.508 56.287 -0.276 0.000 1.001 83 K CB 0.042 32.291 32.500 -0.418 0.000 0.946 83 K HN 0.374 nan 8.250 nan 0.000 0.473 84 N N 0.970 119.784 118.700 0.191 0.000 2.747 84 N HA -0.142 4.597 4.740 -0.000 0.000 0.249 84 N C -0.194 175.466 175.510 0.249 0.000 1.107 84 N CA 0.957 54.134 53.050 0.213 0.000 0.707 84 N CB -0.984 37.572 38.487 0.114 0.000 1.054 84 N HN 0.795 nan 8.380 nan 0.000 0.555 85 G N -1.457 107.563 108.800 0.368 0.000 2.606 85 G HA2 0.560 4.520 3.960 -0.000 0.000 0.252 85 G HA3 0.560 4.520 3.960 -0.000 0.000 0.252 85 G C 0.779 175.887 174.900 0.347 0.000 1.206 85 G CA -0.040 45.221 45.100 0.269 0.000 0.861 85 G HN 0.457 nan 8.290 nan 0.000 0.561 86 G N -1.077 107.765 108.800 0.070 0.000 2.857 86 G HA2 0.537 4.497 3.960 -0.000 0.000 0.217 86 G HA3 0.537 4.497 3.960 -0.000 0.000 0.217 86 G C 1.311 175.888 174.900 -0.538 0.000 1.357 86 G CA 0.534 45.538 45.100 -0.160 0.000 1.033 86 G HN 0.997 nan 8.290 nan 0.000 0.571 87 A N -0.749 121.561 122.820 -0.849 0.000 1.908 87 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 87 A C 2.305 179.714 177.584 -0.292 0.000 1.181 87 A CA 1.544 53.137 52.037 -0.739 0.000 0.627 87 A CB -0.453 18.331 19.000 -0.359 0.000 0.818 87 A HN 0.400 nan 8.150 nan 0.000 0.445 88 I N -0.718 119.720 120.570 -0.219 0.000 2.193 88 I HA -0.165 4.005 4.170 -0.000 0.000 0.240 88 I C 2.431 178.459 176.117 -0.148 0.000 1.084 88 I CA 1.255 62.464 61.300 -0.152 0.000 1.365 88 I CB -1.254 36.660 38.000 -0.142 0.000 1.064 88 I HN 0.384 nan 8.210 nan 0.000 0.410 89 I N 0.942 121.386 120.570 -0.209 0.000 2.208 89 I HA -0.285 3.884 4.170 -0.000 0.000 0.245 89 I C 2.285 178.195 176.117 -0.346 0.000 1.097 89 I CA 1.830 62.952 61.300 -0.295 0.000 1.363 89 I CB -0.512 37.231 38.000 -0.428 0.000 1.051 89 I HN 0.019 nan 8.210 nan 0.000 0.413 90 F N 0.098 120.000 119.950 -0.079 0.000 2.456 90 F HA 0.068 4.595 4.527 -0.000 0.000 0.298 90 F C 2.379 178.198 175.800 0.032 0.000 1.104 90 F CA 0.640 58.634 58.000 -0.011 0.000 1.435 90 F CB -0.508 38.517 39.000 0.041 0.000 1.078 90 F HN 0.112 nan 8.300 nan 0.000 0.546 91 A N 0.264 123.153 122.820 0.114 0.000 1.929 91 A HA 0.012 4.332 4.320 -0.000 0.000 0.216 91 A C 2.491 180.132 177.584 0.095 0.000 1.176 91 A CA 1.551 53.654 52.037 0.111 0.000 0.628 91 A CB -1.387 17.636 19.000 0.038 0.000 0.816 91 A HN 0.373 nan 8.150 nan 0.000 0.444 92 G N 0.212 109.035 108.800 0.039 0.000 2.404 92 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.215 92 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.215 92 G C 1.525 176.469 174.900 0.073 0.000 1.174 92 G CA 1.091 46.213 45.100 0.037 0.000 0.780 92 G HN 0.446 nan 8.290 nan 0.000 0.537 93 I N 1.179 121.783 120.570 0.056 0.000 2.208 93 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 93 I C 3.035 179.277 176.117 0.209 0.000 1.097 93 I CA 1.228 62.568 61.300 0.066 0.000 1.363 93 I CB -0.230 37.739 38.000 -0.052 0.000 1.051 93 I HN 0.110 nan 8.210 nan 0.000 0.413 94 S N 0.855 116.720 115.700 0.274 0.000 2.370 94 S HA -0.194 4.275 4.470 -0.000 0.000 0.226 94 S C 2.277 177.030 174.600 0.255 0.000 1.033 94 S CA 1.372 59.761 58.200 0.315 0.000 1.011 94 S CB -0.436 62.942 63.200 0.297 0.000 0.852 94 S HN 0.560 nan 8.310 nan 0.000 0.457 95 A N 1.525 124.463 122.820 0.196 0.000 1.877 95 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 95 A C 2.107 179.797 177.584 0.176 0.000 1.186 95 A CA 1.296 53.435 52.037 0.169 0.000 0.620 95 A CB -0.755 18.324 19.000 0.132 0.000 0.822 95 A HN 0.473 nan 8.150 nan 0.000 0.443 96 I N -0.682 119.989 120.570 0.168 0.000 2.179 96 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 96 I C 2.667 178.901 176.117 0.194 0.000 1.088 96 I CA 1.673 63.069 61.300 0.159 0.000 1.357 96 I CB -0.368 37.715 38.000 0.137 0.000 1.051 96 I HN 0.448 nan 8.210 nan 0.000 0.409 97 E N 1.021 121.379 120.200 0.265 0.000 2.085 97 E HA -0.284 4.066 4.350 -0.000 0.000 0.194 97 E C 2.113 178.947 176.600 0.390 0.000 0.994 97 E CA 1.674 58.285 56.400 0.353 0.000 0.801 97 E CB -0.052 29.964 29.700 0.528 0.000 0.743 97 E HN 0.567 nan 8.360 nan 0.000 0.453 98 Q N -0.217 119.787 119.800 0.340 0.000 2.061 98 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 98 Q C 2.199 178.353 176.000 0.256 0.000 0.984 98 Q CA 1.717 57.708 55.803 0.313 0.000 0.846 98 Q CB -0.214 28.658 28.738 0.224 0.000 0.902 98 Q HN 0.323 nan 8.270 nan 0.000 0.421 99 A N 0.620 123.555 122.820 0.192 0.000 1.972 99 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 99 A C 2.033 179.684 177.584 0.113 0.000 1.169 99 A CA 1.005 53.127 52.037 0.142 0.000 0.635 99 A CB -0.569 18.506 19.000 0.125 0.000 0.810 99 A HN 0.282 nan 8.150 nan 0.000 0.446 100 L N -2.734 118.545 121.223 0.093 0.000 2.056 100 L HA -0.197 4.143 4.340 -0.000 0.000 0.207 100 L C 2.577 179.406 176.870 -0.068 0.000 1.078 100 L CA 1.296 56.120 54.840 -0.025 0.000 0.749 100 L CB -0.528 41.469 42.059 -0.104 0.000 0.901 100 L HN 0.599 nan 8.230 nan 0.000 0.433 101 W N 0.472 121.818 121.300 0.076 0.000 2.388 101 W HA -0.199 4.461 4.660 -0.000 0.000 0.294 101 W C 2.378 178.888 176.519 -0.015 0.000 1.212 101 W CA 1.056 58.422 57.345 0.035 0.000 1.271 101 W CB -0.245 29.234 29.460 0.033 0.000 1.126 101 W HN 0.214 nan 8.180 nan 0.000 0.535 102 D N 0.476 121.002 120.400 0.211 0.000 2.104 102 D HA -0.200 4.440 4.640 -0.000 0.000 0.194 102 D C 1.882 178.223 176.300 0.068 0.000 0.994 102 D CA 1.624 55.689 54.000 0.109 0.000 0.830 102 D CB -0.341 40.517 40.800 0.096 0.000 0.959 102 D HN 0.100 nan 8.370 nan 0.000 0.452 103 I N 0.003 120.607 120.570 0.057 0.000 2.226 103 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 103 I C 2.516 178.642 176.117 0.015 0.000 1.100 103 I CA 1.003 62.319 61.300 0.027 0.000 1.374 103 I CB -0.242 37.766 38.000 0.013 0.000 1.057 103 I HN 0.037 nan 8.210 nan 0.000 0.413 104 K N 1.009 121.415 120.400 0.009 0.000 2.057 104 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 104 K C 2.103 178.730 176.600 0.045 0.000 1.049 104 K CA 1.633 57.926 56.287 0.009 0.000 0.931 104 K CB -0.360 32.122 32.500 -0.030 0.000 0.714 104 K HN 0.376 nan 8.250 nan 0.000 0.440 105 G N 1.044 109.883 108.800 0.064 0.000 2.408 105 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.217 105 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.217 105 G C 1.260 176.155 174.900 -0.008 0.000 1.150 105 G CA 0.652 45.760 45.100 0.013 0.000 0.776 105 G HN 0.280 nan 8.290 nan 0.000 0.542 106 K N -0.469 119.932 120.400 0.002 0.000 2.097 106 K HA -0.033 4.286 4.320 -0.000 0.000 0.205 106 K C 2.545 179.146 176.600 0.001 0.000 1.050 106 K CA 0.923 57.209 56.287 -0.002 0.000 0.938 106 K CB -0.314 32.191 32.500 0.007 0.000 0.718 106 K HN 0.293 nan 8.250 nan 0.000 0.442 107 C N 0.821 120.125 119.300 0.006 0.000 2.425 107 C HA -0.031 4.429 4.460 -0.000 0.000 0.277 107 C C 2.220 177.214 174.990 0.006 0.000 1.280 107 C CA 0.609 59.631 59.018 0.006 0.000 1.744 107 C CB -0.601 27.142 27.740 0.005 0.000 1.989 107 C HN 0.397 nan 8.230 nan 0.000 0.491 108 L N 0.080 121.307 121.223 0.007 0.000 2.567 108 L HA 0.217 4.557 4.340 -0.000 0.000 0.225 108 L C 1.802 178.669 176.870 -0.004 0.000 1.119 108 L CA 0.894 55.738 54.840 0.007 0.000 0.871 108 L CB -0.658 41.411 42.059 0.018 0.000 1.036 108 L HN 0.482 nan 8.230 nan 0.000 0.459 109 G N 1.489 110.282 108.800 -0.012 0.000 2.176 109 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.252 109 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.252 109 G C 0.075 174.951 174.900 -0.039 0.000 1.024 109 G CA 0.379 45.467 45.100 -0.020 0.000 0.755 109 G HN 0.320 nan 8.290 nan 0.000 0.507 110 V N -4.616 115.261 119.914 -0.062 0.000 3.114 110 V HA 0.923 5.043 4.120 -0.000 0.000 0.308 110 V C -2.631 173.343 176.094 -0.200 0.000 1.168 110 V CA -2.942 59.291 62.300 -0.112 0.000 1.015 110 V CB 2.188 33.958 31.823 -0.089 0.000 1.050 110 V HN 0.009 nan 8.190 nan 0.000 0.433 111 P HA 0.253 nan 4.420 nan 0.000 0.269 111 P C 1.046 178.001 177.300 -0.575 0.000 1.215 111 P CA -0.005 62.741 63.100 -0.590 0.000 0.780 111 P CB 0.915 31.882 31.700 -1.222 0.000 0.898 112 V N 1.827 121.441 119.914 -0.501 0.000 2.392 112 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 112 V C 1.955 177.627 176.094 -0.704 0.000 1.059 112 V CA 2.114 64.087 62.300 -0.545 0.000 1.051 112 V CB -1.722 29.758 31.823 -0.573 0.000 0.658 112 V HN 0.627 nan 8.190 nan 0.000 0.455 113 Y N 0.296 120.346 120.300 -0.417 0.000 2.483 113 Y HA -0.072 4.478 4.550 -0.000 0.000 0.291 113 Y C 2.159 177.973 175.900 -0.145 0.000 1.143 113 Y CA 0.849 58.771 58.100 -0.296 0.000 1.289 113 Y CB -0.862 37.499 38.460 -0.166 0.000 0.983 113 Y HN 0.203 nan 8.280 nan 0.000 0.556 114 E N 1.100 121.248 120.200 -0.087 0.000 2.107 114 E HA -0.050 4.300 4.350 -0.000 0.000 0.191 114 E C 2.166 178.791 176.600 0.041 0.000 0.982 114 E CA 0.974 57.395 56.400 0.036 0.000 0.809 114 E CB -0.323 29.346 29.700 -0.051 0.000 0.756 114 E HN 0.607 nan 8.360 nan 0.000 0.459 115 L N -0.241 120.973 121.223 -0.016 0.000 2.141 115 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 115 L C 1.964 178.990 176.870 0.261 0.000 1.094 115 L CA 0.592 55.498 54.840 0.111 0.000 0.763 115 L CB -0.366 41.784 42.059 0.152 0.000 0.908 115 L HN 0.023 nan 8.230 nan 0.000 0.437 116 F N 0.437 120.344 119.950 -0.073 0.000 2.802 116 F HA 0.177 4.704 4.527 -0.000 0.000 0.300 116 F C 1.736 177.509 175.800 -0.045 0.000 1.168 116 F CA 0.561 58.495 58.000 -0.108 0.000 1.433 116 F CB -0.625 38.275 39.000 -0.166 0.000 1.115 116 F HN 0.219 nan 8.300 nan 0.000 0.582 117 G N -0.850 108.053 108.800 0.172 0.000 2.164 117 G HA2 0.244 4.204 3.960 -0.000 0.000 0.154 117 G HA3 0.244 4.204 3.960 -0.000 0.000 0.154 117 G C 0.526 175.479 174.900 0.088 0.000 1.014 117 G CA -0.078 45.080 45.100 0.098 0.000 0.683 117 G HN 0.927 nan 8.290 nan 0.000 0.500 118 G N -0.311 108.563 108.800 0.124 0.000 2.756 118 G HA2 0.333 4.293 3.960 -0.000 0.000 0.678 118 G HA3 0.333 4.293 3.960 -0.000 0.000 0.678 118 G C -0.077 174.864 174.900 0.068 0.000 1.349 118 G CA 0.290 45.461 45.100 0.119 0.000 0.847 118 G HN 1.549 nan 8.290 nan 0.000 0.548 119 K N -0.788 119.601 120.400 -0.018 0.000 2.087 119 K HA 0.784 5.104 4.320 -0.000 0.000 0.255 119 K C 0.690 177.214 176.600 -0.127 0.000 0.988 119 K CA -0.899 55.263 56.287 -0.209 0.000 0.915 119 K CB 1.908 34.123 32.500 -0.475 0.000 1.043 119 K HN 0.398 nan 8.250 nan 0.000 0.457 120 I N -0.100 120.385 120.570 -0.141 0.000 4.139 120 I HA 0.025 4.195 4.170 -0.000 0.000 0.320 120 I C 0.353 176.417 176.117 -0.087 0.000 1.290 120 I CA -0.303 60.947 61.300 -0.083 0.000 1.253 120 I CB 0.420 38.390 38.000 -0.050 0.000 1.122 120 I HN 0.694 nan 8.210 nan 0.000 0.421 121 R N -0.548 119.867 120.500 -0.141 0.000 2.774 121 R HA 0.385 4.725 4.340 -0.000 0.000 0.272 121 R C -0.952 175.249 176.300 -0.165 0.000 1.000 121 R CA -0.722 55.308 56.100 -0.117 0.000 0.906 121 R CB 1.388 31.640 30.300 -0.081 0.000 1.227 121 R HN -0.251 nan 8.270 nan 0.000 0.468 122 D N 0.354 120.687 120.400 -0.113 0.000 2.392 122 D HA 0.062 4.702 4.640 -0.000 0.000 0.206 122 D C -0.012 176.240 176.300 -0.080 0.000 1.046 122 D CA 0.557 54.490 54.000 -0.111 0.000 0.865 122 D CB 0.582 41.336 40.800 -0.077 0.000 0.969 122 D HN 0.474 nan 8.370 nan 0.000 0.509 123 R N -0.010 120.464 120.500 -0.043 0.000 2.707 123 R HA 0.563 4.902 4.340 -0.000 0.000 0.272 123 R C -1.041 175.325 176.300 0.110 0.000 1.011 123 R CA -0.902 55.221 56.100 0.038 0.000 0.893 123 R CB 1.711 32.050 30.300 0.065 0.000 1.233 123 R HN -0.168 nan 8.270 nan 0.000 0.464 124 V N -1.117 118.884 119.914 0.145 0.000 2.588 124 V HA 0.612 4.732 4.120 -0.000 0.000 0.304 124 V C 0.012 176.224 176.094 0.196 0.000 1.042 124 V CA -1.195 61.212 62.300 0.179 0.000 0.877 124 V CB 1.699 33.482 31.823 -0.066 0.000 0.996 124 V HN 0.923 nan 8.190 nan 0.000 0.425 125 R N 3.146 123.700 120.500 0.090 0.000 2.539 125 R HA 0.756 5.096 4.340 -0.000 0.000 0.275 125 R C -0.115 176.200 176.300 0.026 0.000 1.077 125 R CA 0.515 56.369 56.100 -0.410 0.000 1.097 125 R CB 1.129 31.170 30.300 -0.431 0.000 1.018 125 R HN 1.232 nan 8.270 nan 0.000 0.483 126 A N 2.895 125.721 122.820 0.011 0.000 2.469 126 A HA 0.515 4.835 4.320 -0.000 0.000 0.299 126 A C -1.743 175.994 177.584 0.254 0.000 1.098 126 A CA -0.822 51.347 52.037 0.220 0.000 0.737 126 A CB 1.094 20.361 19.000 0.445 0.000 1.312 126 A HN 0.746 nan 8.150 nan 0.000 0.414 127 Y N -0.752 119.651 120.300 0.172 0.000 2.446 127 Y HA 0.803 5.353 4.550 -0.000 0.000 0.338 127 Y C 0.074 175.915 175.900 -0.098 0.000 1.055 127 Y CA -1.348 56.782 58.100 0.050 0.000 1.101 127 Y CB 1.077 39.533 38.460 -0.007 0.000 1.221 127 Y HN 0.868 nan 8.280 nan 0.000 0.460 128 A N 3.404 126.130 122.820 -0.157 0.000 2.331 128 A HA 0.510 4.830 4.320 -0.000 0.000 0.283 128 A C -0.607 177.042 177.584 0.108 0.000 1.142 128 A CA -0.550 51.213 52.037 -0.456 0.000 0.812 128 A CB 0.224 18.572 19.000 -1.086 0.000 1.074 128 A HN 0.823 nan 8.150 nan 0.000 0.497 129 N N -0.050 118.617 118.700 -0.056 0.000 2.265 129 N HA 0.551 5.290 4.740 -0.000 0.000 0.300 129 N C 0.654 176.080 175.510 -0.140 0.000 1.148 129 N CA 0.632 53.685 53.050 0.005 0.000 0.772 129 N CB 1.893 40.070 38.487 -0.516 0.000 1.434 129 N HN 1.359 nan 8.380 nan 0.000 0.481 130 G N 1.406 110.024 108.800 -0.303 0.000 2.205 130 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.261 130 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.261 130 G C 1.097 175.480 174.900 -0.863 0.000 0.980 130 G CA 0.663 45.378 45.100 -0.642 0.000 0.632 130 G HN 0.720 nan 8.290 nan 0.000 0.533 131 W N 1.258 122.240 121.300 -0.529 0.000 2.392 131 W HA -0.060 4.599 4.660 -0.000 0.000 0.279 131 W C 1.877 178.216 176.519 -0.299 0.000 1.225 131 W CA 1.368 58.527 57.345 -0.310 0.000 1.233 131 W CB -1.405 27.950 29.460 -0.174 0.000 1.122 131 W HN 0.688 nan 8.180 nan 0.000 0.561 132 Y N 1.137 120.863 120.300 -0.957 0.000 2.497 132 Y HA 0.324 4.874 4.550 -0.000 0.000 0.292 132 Y C 1.971 177.553 175.900 -0.529 0.000 1.137 132 Y CA -0.023 57.504 58.100 -0.955 0.000 1.285 132 Y CB -1.513 36.236 38.460 -1.185 0.000 0.991 132 Y HN 0.088 nan 8.280 nan 0.000 0.556 133 G N 1.333 109.879 108.800 -0.422 0.000 2.634 133 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.309 133 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.309 133 G C 1.149 176.001 174.900 -0.080 0.000 1.265 133 G CA 1.275 46.258 45.100 -0.194 0.000 0.998 133 G HN 1.152 nan 8.290 nan 0.000 0.551 134 A N 0.563 123.321 122.820 -0.103 0.000 2.337 134 A HA 0.740 5.060 4.320 -0.000 0.000 0.227 134 A C 1.541 179.048 177.584 -0.128 0.000 1.259 134 A CA 1.442 53.431 52.037 -0.080 0.000 0.870 134 A CB -0.795 18.170 19.000 -0.060 0.000 0.927 134 A HN 2.428 nan 8.150 nan 0.000 0.497 135 A N -0.113 122.542 122.820 -0.276 0.000 2.613 135 A HA 0.242 4.562 4.320 -0.000 0.000 0.230 135 A C 0.790 178.250 177.584 -0.206 0.000 1.051 135 A CA 1.196 52.971 52.037 -0.436 0.000 0.754 135 A CB 0.093 18.412 19.000 -1.135 0.000 0.979 135 A HN 0.532 nan 8.150 nan 0.000 0.510 136 D N -1.104 119.314 120.400 0.030 0.000 2.829 136 D HA 0.047 4.687 4.640 -0.000 0.000 0.250 136 D C 0.901 177.381 176.300 0.300 0.000 1.304 136 D CA 0.989 55.119 54.000 0.217 0.000 1.197 136 D CB 0.046 40.903 40.800 0.094 0.000 1.501 136 D HN 0.760 nan 8.370 nan 0.000 0.424 137 T N -0.910 113.763 114.554 0.198 0.000 2.868 137 T HA 0.328 4.678 4.350 -0.000 0.000 0.292 137 T C -1.798 173.057 174.700 0.257 0.000 1.028 137 T CA -1.151 61.053 62.100 0.173 0.000 1.059 137 T CB 1.558 70.487 68.868 0.103 0.000 0.991 137 T HN -0.191 nan 8.240 nan 0.000 0.531 138 P HA -0.071 nan 4.420 nan 0.000 0.216 138 P C 1.081 178.477 177.300 0.160 0.000 1.150 138 P CA 1.104 64.287 63.100 0.138 0.000 0.837 138 P CB 0.004 31.736 31.700 0.055 0.000 0.786 139 D N -0.731 119.739 120.400 0.116 0.000 2.183 139 D HA -0.145 4.495 4.640 -0.000 0.000 0.203 139 D C 1.759 178.118 176.300 0.098 0.000 0.969 139 D CA 0.997 55.052 54.000 0.091 0.000 0.842 139 D CB -0.248 40.588 40.800 0.060 0.000 0.957 139 D HN 0.168 nan 8.370 nan 0.000 0.484 140 E N -0.951 119.311 120.200 0.103 0.000 2.077 140 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 140 E C 1.906 178.515 176.600 0.016 0.000 0.989 140 E CA 0.666 57.087 56.400 0.034 0.000 0.800 140 E CB -0.191 29.501 29.700 -0.013 0.000 0.746 140 E HN 0.364 nan 8.360 nan 0.000 0.452 141 F N 1.049 121.015 119.950 0.027 0.000 2.102 141 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 141 F C 2.493 178.349 175.800 0.093 0.000 1.105 141 F CA 1.211 59.231 58.000 0.034 0.000 1.239 141 F CB -0.449 38.530 39.000 -0.034 0.000 0.991 141 F HN 0.002 nan 8.300 nan 0.000 0.474 142 A N 0.136 123.093 122.820 0.229 0.000 1.908 142 A HA -0.203 4.116 4.320 -0.000 0.000 0.218 142 A C 2.257 179.903 177.584 0.104 0.000 1.181 142 A CA 1.544 53.658 52.037 0.129 0.000 0.627 142 A CB -0.549 18.497 19.000 0.078 0.000 0.818 142 A HN 0.248 nan 8.150 nan 0.000 0.445 143 R N -0.581 119.973 120.500 0.091 0.000 2.235 143 R HA 0.057 4.396 4.340 -0.000 0.000 0.213 143 R C 2.068 178.419 176.300 0.084 0.000 1.059 143 R CA 1.017 57.155 56.100 0.064 0.000 0.997 143 R CB -0.565 29.759 30.300 0.041 0.000 0.884 143 R HN 0.532 nan 8.270 nan 0.000 0.462 144 A N 1.163 124.070 122.820 0.144 0.000 2.123 144 A HA -0.038 4.282 4.320 -0.000 0.000 0.214 144 A C 2.201 179.984 177.584 0.333 0.000 1.152 144 A CA 0.789 52.965 52.037 0.232 0.000 0.728 144 A CB -0.258 18.861 19.000 0.198 0.000 0.814 144 A HN 0.184 nan 8.150 nan 0.000 0.464 145 V N -1.971 118.059 119.914 0.192 0.000 2.913 145 V HA -0.188 3.932 4.120 -0.000 0.000 0.260 145 V C 1.634 177.667 176.094 -0.100 0.000 1.098 145 V CA 2.023 64.240 62.300 -0.139 0.000 1.121 145 V CB -0.875 30.834 31.823 -0.192 0.000 0.714 145 V HN 0.593 nan 8.190 nan 0.000 0.487 146 E N 1.105 121.301 120.200 -0.006 0.000 2.012 146 E HA -0.259 4.091 4.350 -0.000 0.000 0.197 146 E C 2.357 178.959 176.600 0.002 0.000 1.007 146 E CA 1.856 58.253 56.400 -0.005 0.000 0.816 146 E CB -0.352 29.358 29.700 0.016 0.000 0.762 146 E HN 0.639 nan 8.360 nan 0.000 0.451 147 R N 0.814 121.335 120.500 0.035 0.000 2.115 147 R HA -0.161 4.178 4.340 -0.000 0.000 0.239 147 R C -0.551 175.787 176.300 0.063 0.000 1.133 147 R CA 2.521 58.653 56.100 0.054 0.000 0.935 147 R CB -1.212 29.137 30.300 0.081 0.000 0.853 147 R HN 0.166 nan 8.270 nan 0.000 0.433 148 P HA -0.175 nan 4.420 nan 0.000 0.215 148 P C 1.484 178.854 177.300 0.116 0.000 1.153 148 P CA 1.526 64.676 63.100 0.083 0.000 0.853 148 P CB -0.186 31.377 31.700 -0.228 0.000 0.788 149 L N -0.609 120.600 121.223 -0.024 0.000 2.141 149 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 149 L C 2.681 179.545 176.870 -0.010 0.000 1.094 149 L CA 1.582 56.407 54.840 -0.025 0.000 0.763 149 L CB -0.815 41.202 42.059 -0.069 0.000 0.908 149 L HN -0.017 nan 8.230 nan 0.000 0.437 150 K N 0.223 120.621 120.400 -0.002 0.000 2.155 150 K HA -0.118 4.201 4.320 -0.000 0.000 0.203 150 K C 1.729 178.318 176.600 -0.019 0.000 1.052 150 K CA 0.947 57.228 56.287 -0.009 0.000 0.948 150 K CB -0.001 32.498 32.500 -0.001 0.000 0.728 150 K HN 0.358 nan 8.250 nan 0.000 0.448 151 E N -0.277 119.925 120.200 0.003 0.000 2.516 151 E HA -0.052 4.298 4.350 -0.000 0.000 0.199 151 E C 0.752 177.232 176.600 -0.200 0.000 1.069 151 E CA 0.510 56.882 56.400 -0.048 0.000 0.876 151 E CB 0.190 29.924 29.700 0.056 0.000 0.843 151 E HN 0.526 nan 8.360 nan 0.000 0.530 152 G N 0.614 109.317 108.800 -0.162 0.000 2.163 152 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.213 152 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.213 152 G C -0.311 174.427 174.900 -0.270 0.000 0.991 152 G CA -0.486 44.485 45.100 -0.216 0.000 0.653 152 G HN 0.169 nan 8.290 nan 0.000 0.518 153 Y N 0.338 120.595 120.300 -0.071 0.000 2.319 153 Y HA 0.476 5.026 4.550 -0.000 0.000 0.328 153 Y C 1.605 177.453 175.900 -0.085 0.000 1.133 153 Y CA 0.874 58.925 58.100 -0.082 0.000 1.265 153 Y CB 1.738 40.142 38.460 -0.092 0.000 1.218 153 Y HN 0.099 nan 8.280 nan 0.000 0.508 154 G N 0.970 109.820 108.800 0.083 0.000 3.324 154 G HA2 0.510 4.470 3.960 -0.000 0.000 0.251 154 G HA3 0.510 4.470 3.960 -0.000 0.000 0.251 154 G C -0.190 174.719 174.900 0.014 0.000 1.072 154 G CA 0.410 45.524 45.100 0.024 0.000 0.787 154 G HN 0.750 nan 8.290 nan 0.000 0.537 155 A N 0.030 122.878 122.820 0.045 0.000 2.572 155 A HA 0.842 5.162 4.320 -0.000 0.000 0.295 155 A C -1.576 175.992 177.584 -0.026 0.000 1.072 155 A CA -0.497 51.543 52.037 0.005 0.000 0.691 155 A CB 1.406 20.440 19.000 0.058 0.000 1.291 155 A HN 0.221 nan 8.150 nan 0.000 0.404 156 L N 0.762 121.935 121.223 -0.083 0.000 2.445 156 L HA 0.633 4.973 4.340 -0.000 0.000 0.262 156 L C -0.454 176.500 176.870 0.140 0.000 0.974 156 L CA -0.607 54.206 54.840 -0.045 0.000 0.822 156 L CB 2.554 44.411 42.059 -0.335 0.000 1.339 156 L HN 0.818 nan 8.230 nan 0.000 0.409 157 K N 2.515 123.136 120.400 0.369 0.000 2.318 157 K HA 0.830 5.150 4.320 -0.000 0.000 0.249 157 K C -1.558 175.430 176.600 0.647 0.000 0.942 157 K CA -0.445 55.969 56.287 0.212 0.000 0.808 157 K CB 1.995 34.387 32.500 -0.180 0.000 1.189 157 K HN 0.499 nan 8.250 nan 0.000 0.428 158 F N -0.264 119.687 119.950 0.001 0.000 2.741 158 F HA 0.458 4.985 4.527 -0.000 0.000 0.313 158 F C -1.810 173.760 175.800 -0.383 0.000 1.153 158 F CA -1.334 56.600 58.000 -0.110 0.000 0.931 158 F CB 0.887 39.917 39.000 0.051 0.000 1.335 158 F HN 0.247 nan 8.300 nan 0.000 0.460 159 Y N 0.876 121.063 120.300 -0.189 0.000 2.712 159 Y HA 0.445 4.995 4.550 -0.000 0.000 0.328 159 Y C -2.262 173.565 175.900 -0.122 0.000 0.995 159 Y CA -2.708 55.299 58.100 -0.155 0.000 1.283 159 Y CB 0.777 39.218 38.460 -0.032 0.000 1.092 159 Y HN 0.328 nan 8.280 nan 0.000 0.519 160 P HA -0.173 nan 4.420 nan 0.000 0.217 160 P C 1.062 178.316 177.300 -0.076 0.000 1.148 160 P CA 1.584 64.644 63.100 -0.066 0.000 0.828 160 P CB 0.358 32.062 31.700 0.006 0.000 0.783 161 L N -2.827 118.362 121.223 -0.056 0.000 2.509 161 L HA 0.203 4.543 4.340 -0.000 0.000 0.222 161 L C 1.344 178.221 176.870 0.012 0.000 1.123 161 L CA -0.307 54.493 54.840 -0.067 0.000 0.856 161 L CB -0.799 41.208 42.059 -0.087 0.000 0.985 161 L HN -0.127 nan 8.230 nan 0.000 0.456 162 A N 0.316 123.176 122.820 0.067 0.000 2.327 162 A HA 0.463 4.783 4.320 -0.000 0.000 0.255 162 A C -0.092 177.482 177.584 -0.017 0.000 1.099 162 A CA 0.008 52.047 52.037 0.003 0.000 0.801 162 A CB 0.455 19.419 19.000 -0.059 0.000 1.062 162 A HN 0.206 nan 8.150 nan 0.000 0.496 163 Q N 0.324 120.082 119.800 -0.070 0.000 2.271 163 Q HA 0.261 4.601 4.340 -0.000 0.000 0.268 163 Q C -0.990 174.969 176.000 -0.067 0.000 1.021 163 Q CA -0.409 55.374 55.803 -0.033 0.000 0.802 163 Q CB 2.055 30.779 28.738 -0.024 0.000 1.282 163 Q HN 0.807 nan 8.270 nan 0.000 0.431 164 R N 1.515 121.993 120.500 -0.036 0.000 2.401 164 R HA 0.367 4.706 4.340 -0.000 0.000 0.299 164 R C -0.735 175.540 176.300 -0.042 0.000 1.064 164 R CA 0.009 56.081 56.100 -0.047 0.000 1.000 164 R CB 0.486 30.772 30.300 -0.023 0.000 0.973 164 R HN 0.294 nan 8.270 nan 0.000 0.438 165 V N 6.055 125.938 119.914 -0.052 0.000 2.276 165 V HA 0.348 4.467 4.120 -0.000 0.000 0.268 165 V C 0.870 176.943 176.094 -0.036 0.000 1.032 165 V CA 0.395 62.672 62.300 -0.038 0.000 0.810 165 V CB 0.421 32.221 31.823 -0.038 0.000 1.060 165 V HN 1.204 nan 8.190 nan 0.000 0.446 166 G N 3.896 112.677 108.800 -0.032 0.000 2.527 166 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.262 166 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.262 166 G C 1.192 176.065 174.900 -0.044 0.000 1.153 166 G CA 0.819 45.900 45.100 -0.032 0.000 0.954 166 G HN 0.856 nan 8.290 nan 0.000 0.552 167 S N 0.551 116.223 115.700 -0.047 0.000 2.395 167 S HA 0.470 4.939 4.470 -0.000 0.000 0.225 167 S C 1.595 176.145 174.600 -0.083 0.000 1.027 167 S CA 1.663 59.821 58.200 -0.070 0.000 0.965 167 S CB -0.705 62.456 63.200 -0.065 0.000 0.812 167 S HN 1.942 nan 8.310 nan 0.000 0.482 168 A N 0.879 123.662 122.820 -0.062 0.000 2.240 168 A HA 0.681 5.001 4.320 -0.000 0.000 0.292 168 A C -0.750 176.780 177.584 -0.090 0.000 1.121 168 A CA -0.526 51.472 52.037 -0.066 0.000 0.851 168 A CB 0.267 19.247 19.000 -0.034 0.000 1.167 168 A HN 0.473 nan 8.150 nan 0.000 0.503 169 L N -0.180 120.960 121.223 -0.139 0.000 2.313 169 L HA 0.451 4.791 4.340 -0.000 0.000 0.283 169 L C -0.105 176.544 176.870 -0.369 0.000 1.013 169 L CA -0.038 54.657 54.840 -0.242 0.000 0.816 169 L CB 1.597 43.466 42.059 -0.318 0.000 1.236 169 L HN 0.784 nan 8.230 nan 0.000 0.419 170 Q N 3.905 123.520 119.800 -0.309 0.000 2.314 170 Q HA 0.330 4.670 4.340 -0.000 0.000 0.259 170 Q C -0.804 175.005 176.000 -0.317 0.000 0.951 170 Q CA -0.599 55.045 55.803 -0.266 0.000 0.909 170 Q CB 0.704 29.375 28.738 -0.112 0.000 1.236 170 Q HN 0.651 nan 8.270 nan 0.000 0.444 171 H N 1.226 120.290 119.070 -0.010 0.000 2.437 171 H HA 0.207 4.763 4.556 -0.000 0.000 0.338 171 H C 0.023 175.352 175.328 0.000 0.000 1.495 171 H CA -0.544 55.503 56.048 -0.000 0.000 1.453 171 H CB 0.553 30.328 29.762 0.021 0.000 1.707 171 H HN 0.378 nan 8.280 nan 0.000 0.655 172 V N 1.322 121.327 119.914 0.151 0.000 2.694 172 V HA -0.058 4.062 4.120 -0.000 0.000 0.306 172 V C 0.773 176.900 176.094 0.056 0.000 1.054 172 V CA 0.571 62.910 62.300 0.065 0.000 1.161 172 V CB 0.282 32.126 31.823 0.036 0.000 0.916 172 V HN 0.635 nan 8.190 nan 0.000 0.490 173 T N 6.425 120.998 114.554 0.031 0.000 2.744 173 T HA 0.362 4.712 4.350 -0.000 0.000 0.291 173 T C 0.646 175.358 174.700 0.019 0.000 0.957 173 T CA -0.439 61.677 62.100 0.026 0.000 1.002 173 T CB 0.258 69.136 68.868 0.016 0.000 0.919 173 T HN 0.729 nan 8.240 nan 0.000 0.468 174 R N 2.783 123.297 120.500 0.023 0.000 3.405 174 R HA -0.222 4.118 4.340 -0.000 0.000 0.258 174 R C 0.273 176.580 176.300 0.012 0.000 1.030 174 R CA 0.334 56.444 56.100 0.017 0.000 0.691 174 R CB -1.513 28.794 30.300 0.012 0.000 1.093 174 R HN 0.747 nan 8.270 nan 0.000 0.448 175 R N -1.845 118.664 120.500 0.015 0.000 3.610 175 R HA -0.225 4.115 4.340 -0.000 0.000 0.274 175 R C -0.376 175.922 176.300 -0.003 0.000 1.123 175 R CA 1.285 57.389 56.100 0.007 0.000 0.747 175 R CB -1.445 28.860 30.300 0.009 0.000 1.149 175 R HN 0.387 nan 8.270 nan 0.000 0.471 179 A N 0.763 123.581 122.820 -0.005 0.000 2.019 179 A HA -0.004 4.316 4.320 -0.000 0.000 0.219 179 A C 1.691 179.280 177.584 0.008 0.000 1.164 179 A CA 2.080 54.118 52.037 0.000 0.000 0.644 179 A CB -1.034 17.968 19.000 0.003 0.000 0.805 179 A HN 0.872 nan 8.150 nan 0.000 0.449 180 E N 0.189 120.394 120.200 0.009 0.000 2.072 180 E HA 0.020 4.370 4.350 -0.000 0.000 0.191 180 E C 2.232 178.842 176.600 0.017 0.000 0.985 180 E CA 1.300 57.711 56.400 0.017 0.000 0.801 180 E CB -0.501 29.208 29.700 0.015 0.000 0.750 180 E HN 0.560 nan 8.360 nan 0.000 0.452 181 A N 0.771 123.592 122.820 0.001 0.000 1.930 181 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 181 A C 2.216 179.782 177.584 -0.030 0.000 1.175 181 A CA 1.099 53.129 52.037 -0.012 0.000 0.627 181 A CB -0.653 18.332 19.000 -0.024 0.000 0.815 181 A HN 0.202 nan 8.150 nan 0.000 0.443 182 I N -0.576 119.972 120.570 -0.038 0.000 2.493 182 I HA -0.198 3.972 4.170 -0.000 0.000 0.254 182 I C 2.448 178.593 176.117 0.047 0.000 1.160 182 I CA 1.627 62.888 61.300 -0.064 0.000 1.445 182 I CB -0.207 37.764 38.000 -0.048 0.000 1.086 182 I HN 0.405 nan 8.210 nan 0.000 0.433 183 E N 1.573 121.816 120.200 0.072 0.000 2.076 183 E HA -0.202 4.148 4.350 -0.000 0.000 0.190 183 E C 2.014 178.715 176.600 0.169 0.000 0.979 183 E CA 0.998 57.481 56.400 0.138 0.000 0.807 183 E CB -0.254 29.500 29.700 0.090 0.000 0.761 183 E HN 0.315 nan 8.360 nan 0.000 0.454 184 L N 0.439 121.716 121.223 0.090 0.000 2.046 184 L HA -0.022 4.317 4.340 -0.000 0.000 0.208 184 L C 2.192 179.091 176.870 0.049 0.000 1.077 184 L CA 2.246 57.124 54.840 0.063 0.000 0.747 184 L CB -1.030 41.049 42.059 0.034 0.000 0.896 184 L HN 0.179 nan 8.230 nan 0.000 0.432 185 A N -1.015 121.831 122.820 0.043 0.000 1.883 185 A HA -0.316 4.003 4.320 -0.000 0.000 0.217 185 A C 2.325 180.059 177.584 0.249 0.000 1.186 185 A CA 2.029 54.088 52.037 0.037 0.000 0.624 185 A CB -1.358 17.531 19.000 -0.185 0.000 0.822 185 A HN 0.671 nan 8.150 nan 0.000 0.444 186 Y N 0.584 121.059 120.300 0.291 0.000 2.145 186 Y HA -0.221 4.329 4.550 -0.000 0.000 0.286 186 Y C 2.459 178.427 175.900 0.113 0.000 1.145 186 Y CA 2.103 60.364 58.100 0.267 0.000 1.148 186 Y CB -0.202 38.381 38.460 0.206 0.000 0.981 186 Y HN 0.172 nan 8.280 nan 0.000 0.507 187 R N 0.661 121.155 120.500 -0.010 0.000 2.105 187 R HA -0.145 4.195 4.340 -0.000 0.000 0.239 187 R C 2.297 178.506 176.300 -0.153 0.000 1.135 187 R CA 1.716 57.743 56.100 -0.122 0.000 0.967 187 R CB -0.717 29.600 30.300 0.028 0.000 0.861 187 R HN 0.470 nan 8.270 nan 0.000 0.442 188 R N 0.032 120.453 120.500 -0.133 0.000 2.073 188 R HA -0.071 4.268 4.340 -0.000 0.000 0.234 188 R C 2.371 178.578 176.300 -0.155 0.000 1.134 188 R CA 1.492 57.442 56.100 -0.250 0.000 0.952 188 R CB -0.521 29.458 30.300 -0.535 0.000 0.850 188 R HN 0.004 nan 8.270 nan 0.000 0.433 189 V N 1.509 121.411 119.914 -0.020 0.000 2.295 189 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 189 V C 2.397 178.447 176.094 -0.073 0.000 1.049 189 V CA 1.855 64.224 62.300 0.115 0.000 1.024 189 V CB -0.508 31.351 31.823 0.060 0.000 0.648 189 V HN 0.327 nan 8.190 nan 0.000 0.447 190 K N 0.216 120.445 120.400 -0.286 0.000 2.097 190 K HA -0.182 4.138 4.320 -0.000 0.000 0.206 190 K C 2.187 178.703 176.600 -0.140 0.000 1.049 190 K CA 1.508 57.629 56.287 -0.277 0.000 0.933 190 K CB -0.312 31.907 32.500 -0.468 0.000 0.717 190 K HN 0.436 nan 8.250 nan 0.000 0.442 191 A N 0.576 123.324 122.820 -0.119 0.000 1.902 191 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 191 A C 2.212 179.777 177.584 -0.031 0.000 1.181 191 A CA 1.623 53.631 52.037 -0.048 0.000 0.623 191 A CB -0.591 18.404 19.000 -0.009 0.000 0.818 191 A HN 0.170 nan 8.150 nan 0.000 0.443 192 V N 0.184 120.061 119.914 -0.063 0.000 2.358 192 V HA -0.230 3.889 4.120 -0.000 0.000 0.246 192 V C 2.681 178.737 176.094 -0.064 0.000 1.047 192 V CA 2.340 64.590 62.300 -0.084 0.000 1.035 192 V CB -0.840 30.804 31.823 -0.299 0.000 0.658 192 V HN 0.670 nan 8.190 nan 0.000 0.452 193 R N 1.042 121.517 120.500 -0.042 0.000 2.073 193 R HA -0.154 4.186 4.340 -0.000 0.000 0.234 193 R C 1.887 178.164 176.300 -0.039 0.000 1.134 193 R CA 2.090 58.169 56.100 -0.035 0.000 0.952 193 R CB -1.055 29.227 30.300 -0.031 0.000 0.850 193 R HN 0.499 nan 8.270 nan 0.000 0.433 194 D N 0.194 120.571 120.400 -0.038 0.000 2.104 194 D HA -0.129 4.511 4.640 -0.000 0.000 0.194 194 D C 1.612 177.897 176.300 -0.025 0.000 0.994 194 D CA 1.898 55.882 54.000 -0.028 0.000 0.830 194 D CB -0.399 40.387 40.800 -0.023 0.000 0.959 194 D HN 0.420 nan 8.370 nan 0.000 0.452 195 A N 0.338 123.143 122.820 -0.025 0.000 2.121 195 A HA 0.137 4.457 4.320 -0.000 0.000 0.218 195 A C 2.075 179.632 177.584 -0.045 0.000 1.154 195 A CA 1.643 53.666 52.037 -0.023 0.000 0.679 195 A CB -0.108 18.889 19.000 -0.005 0.000 0.795 195 A HN 0.237 nan 8.150 nan 0.000 0.458 196 A N -1.732 121.052 122.820 -0.061 0.000 2.167 196 A HA 0.516 4.836 4.320 -0.000 0.000 0.208 196 A C 1.331 178.881 177.584 -0.057 0.000 1.198 196 A CA 1.085 53.074 52.037 -0.080 0.000 0.863 196 A CB -0.436 18.495 19.000 -0.115 0.000 0.904 196 A HN 2.051 nan 8.150 nan 0.000 0.484 197 G N -0.415 108.360 108.800 -0.042 0.000 2.699 197 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.686 197 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.686 197 G C -1.489 173.392 174.900 -0.032 0.000 1.301 197 G CA -0.207 44.873 45.100 -0.032 0.000 0.816 197 G HN 0.136 nan 8.290 nan 0.000 0.595 198 P HA 0.001 nan 4.420 nan 0.000 0.226 198 P C 0.991 178.277 177.300 -0.023 0.000 1.153 198 P CA 1.464 64.550 63.100 -0.022 0.000 0.777 198 P CB 0.174 31.864 31.700 -0.017 0.000 0.794 199 E N -0.766 119.420 120.200 -0.023 0.000 2.371 199 E HA 0.052 4.402 4.350 -0.000 0.000 0.194 199 E C 0.678 177.262 176.600 -0.026 0.000 1.012 199 E CA -0.022 56.365 56.400 -0.021 0.000 0.860 199 E CB 0.057 29.748 29.700 -0.016 0.000 0.811 199 E HN 0.218 nan 8.360 nan 0.000 0.502 200 I N 2.239 122.786 120.570 -0.038 0.000 2.474 200 I HA 0.084 4.254 4.170 -0.000 0.000 0.287 200 I C 0.439 176.524 176.117 -0.053 0.000 1.048 200 I CA -0.133 61.137 61.300 -0.049 0.000 1.383 200 I CB 0.798 38.754 38.000 -0.074 0.000 1.412 200 I HN -0.056 nan 8.210 nan 0.000 0.531 201 E N 5.757 125.923 120.200 -0.057 0.000 2.289 201 E HA 0.464 4.814 4.350 -0.000 0.000 0.278 201 E C -0.604 175.931 176.600 -0.107 0.000 1.032 201 E CA -0.286 56.066 56.400 -0.080 0.000 0.854 201 E CB 1.343 30.996 29.700 -0.078 0.000 1.046 201 E HN 0.386 nan 8.360 nan 0.000 0.409 205 D N 4.376 124.467 120.400 -0.515 0.000 2.280 205 D HA 0.482 5.122 4.640 -0.000 0.000 0.236 205 D C 0.567 176.758 176.300 -0.181 0.000 1.082 205 D CA -0.271 53.511 54.000 -0.364 0.000 0.834 205 D CB 1.973 42.358 40.800 -0.690 0.000 1.100 205 D HN 0.506 nan 8.370 nan 0.000 0.486 206 L N 2.309 123.499 121.223 -0.055 0.000 2.585 206 L HA 0.049 4.388 4.340 -0.000 0.000 0.226 206 L C 1.314 178.184 176.870 0.000 0.000 1.113 206 L CA -0.145 54.696 54.840 0.001 0.000 0.876 206 L CB -0.104 41.961 42.059 0.011 0.000 1.072 206 L HN 0.454 nan 8.230 nan 0.000 0.468 207 S N 0.538 116.218 115.700 -0.034 0.000 3.521 207 S HA -0.249 4.221 4.470 -0.000 0.000 0.362 207 S C 1.120 175.647 174.600 -0.121 0.000 1.044 207 S CA 1.065 59.169 58.200 -0.161 0.000 1.091 207 S CB -1.092 61.728 63.200 -0.633 0.000 0.908 207 S HN 0.906 nan 8.310 nan 0.000 0.473 208 G N -1.511 107.258 108.800 -0.051 0.000 2.481 208 G HA2 0.276 4.236 3.960 -0.000 0.000 0.200 208 G HA3 0.276 4.236 3.960 -0.000 0.000 0.200 208 G C 1.083 175.980 174.900 -0.005 0.000 1.012 208 G CA 0.670 45.756 45.100 -0.023 0.000 0.676 208 G HN 2.200 nan 8.290 nan 0.000 0.488 209 G N -0.083 108.713 108.800 -0.007 0.000 2.569 209 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.259 209 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.259 209 G C 0.388 175.282 174.900 -0.010 0.000 1.263 209 G CA 0.466 45.561 45.100 -0.008 0.000 0.928 209 G HN 1.318 nan 8.290 nan 0.000 0.572 210 L N -0.198 121.017 121.223 -0.013 0.000 2.849 210 L HA 0.670 5.010 4.340 -0.000 0.000 0.230 210 L C 1.640 178.512 176.870 0.003 0.000 1.589 210 L CA -0.285 54.548 54.840 -0.012 0.000 1.664 210 L CB 0.320 42.363 42.059 -0.027 0.000 2.392 210 L HN 0.988 nan 8.230 nan 0.000 0.586 211 T N -3.744 110.812 114.554 0.003 0.000 2.882 211 T HA 0.120 4.470 4.350 -0.000 0.000 0.287 211 T C 0.977 175.685 174.700 0.013 0.000 1.014 211 T CA -0.291 61.813 62.100 0.007 0.000 1.049 211 T CB 1.230 70.101 68.868 0.005 0.000 1.001 211 T HN 0.519 nan 8.240 nan 0.000 0.525 212 T N 1.984 116.546 114.554 0.013 0.000 2.620 212 T HA -0.230 4.120 4.350 -0.000 0.000 0.267 212 T C 1.702 176.415 174.700 0.020 0.000 1.044 212 T CA 2.198 64.307 62.100 0.016 0.000 1.161 212 T CB -0.777 68.098 68.868 0.012 0.000 0.862 212 T HN 0.945 nan 8.240 nan 0.000 0.438 213 D N 1.563 121.972 120.400 0.016 0.000 2.104 213 D HA -0.160 4.480 4.640 -0.000 0.000 0.194 213 D C 1.946 178.262 176.300 0.027 0.000 0.994 213 D CA 1.167 55.177 54.000 0.017 0.000 0.830 213 D CB -0.581 40.226 40.800 0.011 0.000 0.959 213 D HN 0.316 nan 8.370 nan 0.000 0.452 214 E N 0.009 120.225 120.200 0.027 0.000 2.150 214 E HA -0.069 4.281 4.350 -0.000 0.000 0.193 214 E C 2.223 178.868 176.600 0.074 0.000 0.985 214 E CA 1.145 57.567 56.400 0.037 0.000 0.814 214 E CB -0.414 29.293 29.700 0.012 0.000 0.752 214 E HN 0.418 nan 8.360 nan 0.000 0.466 215 T N 1.728 116.323 114.554 0.067 0.000 2.777 215 T HA -0.049 4.301 4.350 -0.000 0.000 0.266 215 T C 2.154 176.929 174.700 0.125 0.000 1.040 215 T CA 0.697 62.862 62.100 0.108 0.000 1.141 215 T CB -0.160 68.749 68.868 0.068 0.000 0.868 215 T HN 0.089 nan 8.240 nan 0.000 0.444 216 I N 1.040 121.653 120.570 0.072 0.000 2.163 216 I HA -0.224 3.946 4.170 -0.000 0.000 0.243 216 I C 2.822 178.969 176.117 0.050 0.000 1.085 216 I CA 1.437 62.765 61.300 0.048 0.000 1.347 216 I CB -0.373 37.644 38.000 0.027 0.000 1.044 216 I HN 0.173 nan 8.210 nan 0.000 0.408 217 R N 0.840 121.378 120.500 0.063 0.000 2.096 217 R HA -0.269 4.070 4.340 -0.000 0.000 0.240 217 R C 2.442 178.793 176.300 0.086 0.000 1.139 217 R CA 2.128 58.262 56.100 0.056 0.000 0.952 217 R CB -0.600 29.734 30.300 0.057 0.000 0.854 217 R HN 0.269 nan 8.270 nan 0.000 0.436 218 F N 0.928 120.869 119.950 -0.015 0.000 2.146 218 F HA -0.140 4.386 4.527 -0.000 0.000 0.298 218 F C 2.120 177.924 175.800 0.007 0.000 1.096 218 F CA 1.245 59.243 58.000 -0.004 0.000 1.275 218 F CB -0.562 38.440 39.000 0.003 0.000 1.008 218 F HN 0.113 nan 8.300 nan 0.000 0.480 219 C N 0.699 119.957 119.300 -0.069 0.000 2.422 219 C HA -0.114 4.346 4.460 -0.000 0.000 0.279 219 C C 2.785 177.677 174.990 -0.163 0.000 1.305 219 C CA 0.935 59.853 59.018 -0.167 0.000 1.757 219 C CB -1.317 26.405 27.740 -0.030 0.000 1.962 219 C HN 0.427 nan 8.230 nan 0.000 0.499 220 R N 0.723 121.163 120.500 -0.100 0.000 2.092 220 R HA -0.104 4.235 4.340 -0.000 0.000 0.231 220 R C 2.288 178.523 176.300 -0.108 0.000 1.119 220 R CA 1.032 57.084 56.100 -0.081 0.000 0.970 220 R CB -0.236 30.036 30.300 -0.047 0.000 0.864 220 R HN 0.545 nan 8.270 nan 0.000 0.440 221 K N 1.437 121.745 120.400 -0.153 0.000 2.026 221 K HA -0.108 4.212 4.320 -0.000 0.000 0.208 221 K C 1.945 178.491 176.600 -0.089 0.000 1.048 221 K CA 1.455 57.640 56.287 -0.170 0.000 0.929 221 K CB -0.071 32.283 32.500 -0.242 0.000 0.713 221 K HN 0.244 nan 8.250 nan 0.000 0.439 222 I N -2.284 118.170 120.570 -0.193 0.000 3.444 222 I HA 0.088 4.258 4.170 -0.000 0.000 0.287 222 I C 1.677 177.737 176.117 -0.094 0.000 1.302 222 I CA 0.624 61.852 61.300 -0.121 0.000 1.368 222 I CB -0.516 37.284 38.000 -0.334 0.000 1.048 222 I HN 0.068 nan 8.210 nan 0.000 0.487 223 G N 2.195 110.941 108.800 -0.090 0.000 2.476 223 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.218 223 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.218 223 G C 1.271 176.150 174.900 -0.035 0.000 1.164 223 G CA 1.086 46.149 45.100 -0.062 0.000 0.768 223 G HN 0.498 nan 8.290 nan 0.000 0.560 224 E N 0.253 120.444 120.200 -0.014 0.000 2.478 224 E HA 0.102 4.451 4.350 -0.000 0.000 0.198 224 E C 2.065 178.663 176.600 -0.003 0.000 1.046 224 E CA 0.047 56.446 56.400 -0.003 0.000 0.870 224 E CB -0.136 29.571 29.700 0.012 0.000 0.818 224 E HN 0.449 nan 8.360 nan 0.000 0.527 225 L N 0.657 121.874 121.223 -0.010 0.000 2.645 225 L HA 0.064 4.404 4.340 -0.000 0.000 0.235 225 L C -0.012 176.840 176.870 -0.031 0.000 1.150 225 L CA -0.193 54.633 54.840 -0.022 0.000 0.911 225 L CB -0.570 41.465 42.059 -0.039 0.000 1.077 225 L HN 0.083 nan 8.230 nan 0.000 0.438 226 D N 1.677 122.058 120.400 -0.032 0.000 3.038 226 D HA -0.203 4.437 4.640 -0.000 0.000 0.229 226 D C -0.337 175.933 176.300 -0.050 0.000 1.182 226 D CA 0.338 54.317 54.000 -0.035 0.000 0.852 226 D CB -0.298 40.486 40.800 -0.027 0.000 0.932 226 D HN -0.028 nan 8.370 nan 0.000 0.406 227 I N 2.335 122.867 120.570 -0.064 0.000 2.365 227 I HA 0.085 4.255 4.170 -0.000 0.000 0.291 227 I C 2.129 178.191 176.117 -0.092 0.000 1.004 227 I CA -0.611 60.631 61.300 -0.096 0.000 1.311 227 I CB 0.730 38.660 38.000 -0.117 0.000 1.401 227 I HN 0.497 nan 8.210 nan 0.000 0.491 228 C N 7.342 126.550 119.300 -0.152 0.000 2.453 228 C HA -0.030 4.429 4.460 -0.000 0.000 0.277 228 C C 0.586 175.579 174.990 0.005 0.000 1.262 228 C CA 0.649 59.595 59.018 -0.121 0.000 1.718 228 C CB -0.672 26.920 27.740 -0.247 0.000 2.031 228 C HN 0.725 nan 8.230 nan 0.000 0.480 229 F N -2.344 117.539 119.950 -0.111 0.000 2.744 229 F HA 0.555 5.082 4.527 -0.000 0.000 0.311 229 F C -1.305 174.414 175.800 -0.135 0.000 1.144 229 F CA -1.573 56.363 58.000 -0.107 0.000 0.938 229 F CB 0.660 39.602 39.000 -0.097 0.000 1.292 229 F HN -0.170 nan 8.300 nan 0.000 0.444 230 V N 2.073 122.144 119.914 0.262 0.000 2.417 230 V HA 0.514 4.634 4.120 -0.000 0.000 0.291 230 V C -0.642 175.562 176.094 0.184 0.000 1.024 230 V CA -0.162 62.214 62.300 0.126 0.000 0.861 230 V CB 1.374 33.219 31.823 0.037 0.000 0.985 230 V HN 0.971 nan 8.190 nan 0.000 0.436 231 E N 4.442 124.730 120.200 0.147 0.000 2.249 231 E HA 0.322 4.672 4.350 -0.000 0.000 0.280 231 E C -0.147 176.460 176.600 0.011 0.000 1.016 231 E CA -0.327 56.124 56.400 0.084 0.000 0.830 231 E CB 0.710 30.482 29.700 0.121 0.000 1.081 231 E HN 0.832 nan 8.360 nan 0.000 0.395 232 E N 3.243 123.433 120.200 -0.016 0.000 2.202 232 E HA -0.178 4.172 4.350 -0.000 0.000 0.169 232 E C -1.849 174.742 176.600 -0.015 0.000 1.536 232 E CA 0.072 56.453 56.400 -0.031 0.000 0.664 232 E CB -0.364 29.311 29.700 -0.042 0.000 1.064 232 E HN 0.529 nan 8.360 nan 0.000 0.327 233 P HA -0.109 nan 4.420 nan 0.000 0.230 233 P C 0.673 177.980 177.300 0.011 0.000 1.158 233 P CA 1.075 64.184 63.100 0.016 0.000 0.769 233 P CB -0.050 31.664 31.700 0.023 0.000 0.807 234 C N -2.954 116.345 119.300 -0.001 0.000 3.291 234 C HA 0.533 4.993 4.460 -0.000 0.000 0.316 234 C C -0.182 174.808 174.990 0.000 0.000 1.391 234 C CA -1.369 57.651 59.018 0.004 0.000 1.394 234 C CB 0.989 28.733 27.740 0.007 0.000 1.744 234 C HN -0.008 nan 8.230 nan 0.000 0.461 235 D N 1.828 122.240 120.400 0.020 0.000 2.531 235 D HA 0.134 4.774 4.640 -0.000 0.000 0.239 235 D C -1.321 174.997 176.300 0.029 0.000 1.144 235 D CA -0.565 53.458 54.000 0.039 0.000 0.869 235 D CB 1.237 42.090 40.800 0.088 0.000 1.160 235 D HN 0.393 nan 8.370 nan 0.000 0.484 236 P HA -0.107 nan 4.420 nan 0.000 0.220 236 P C 1.233 178.505 177.300 -0.047 0.000 1.144 236 P CA 0.859 63.903 63.100 -0.093 0.000 0.800 236 P CB 0.002 31.599 31.700 -0.172 0.000 0.772 237 F N -0.831 119.093 119.950 -0.043 0.000 2.259 237 F HA -0.063 4.464 4.527 -0.000 0.000 0.298 237 F C 1.085 176.865 175.800 -0.035 0.000 1.088 237 F CA 0.245 58.227 58.000 -0.030 0.000 1.358 237 F CB 0.225 39.219 39.000 -0.010 0.000 1.040 237 F HN -0.185 nan 8.300 nan 0.000 0.505 238 D N 0.302 120.804 120.400 0.170 0.000 2.479 238 D HA 0.043 4.682 4.640 -0.000 0.000 0.218 238 D C 0.363 176.681 176.300 0.031 0.000 1.131 238 D CA 0.031 54.077 54.000 0.077 0.000 0.916 238 D CB 0.048 40.878 40.800 0.050 0.000 1.022 238 D HN 0.063 nan 8.370 nan 0.000 0.515 239 N N 1.654 120.366 118.700 0.019 0.000 2.457 239 N HA -0.042 4.697 4.740 -0.000 0.000 0.180 239 N C 1.760 177.266 175.510 -0.007 0.000 1.050 239 N CA 0.394 53.437 53.050 -0.012 0.000 0.906 239 N CB 0.275 38.745 38.487 -0.029 0.000 0.968 239 N HN 0.499 nan 8.380 nan 0.000 0.445 240 G N 0.804 109.606 108.800 0.003 0.000 2.404 240 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.215 240 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.215 240 G C 1.644 176.545 174.900 0.002 0.000 1.174 240 G CA 0.952 46.053 45.100 0.002 0.000 0.780 240 G HN 0.376 nan 8.290 nan 0.000 0.537 241 A N 0.411 123.233 122.820 0.004 0.000 1.933 241 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 241 A C 2.351 179.937 177.584 0.002 0.000 1.175 241 A CA 1.699 53.739 52.037 0.005 0.000 0.628 241 A CB -0.452 18.554 19.000 0.009 0.000 0.814 241 A HN 0.428 nan 8.150 nan 0.000 0.444 242 L N -0.244 120.977 121.223 -0.004 0.000 2.042 242 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 242 L C 2.254 179.120 176.870 -0.007 0.000 1.076 242 L CA 2.724 57.557 54.840 -0.011 0.000 0.749 242 L CB -0.572 41.470 42.059 -0.029 0.000 0.893 242 L HN 0.346 nan 8.230 nan 0.000 0.432 243 K N -0.816 119.581 120.400 -0.005 0.000 2.026 243 K HA -0.089 4.230 4.320 -0.000 0.000 0.208 243 K C 1.894 178.497 176.600 0.004 0.000 1.048 243 K CA 1.999 58.287 56.287 0.001 0.000 0.929 243 K CB -0.676 31.826 32.500 0.003 0.000 0.713 243 K HN 0.240 nan 8.250 nan 0.000 0.439 244 V N 1.090 121.007 119.914 0.004 0.000 2.343 244 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 244 V C 2.295 178.393 176.094 0.006 0.000 1.051 244 V CA 1.976 64.280 62.300 0.006 0.000 1.036 244 V CB -0.399 31.427 31.823 0.006 0.000 0.654 244 V HN 0.290 nan 8.190 nan 0.000 0.451 245 I N 1.058 121.633 120.570 0.007 0.000 2.179 245 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 245 I C 2.710 178.831 176.117 0.007 0.000 1.088 245 I CA 1.890 63.195 61.300 0.009 0.000 1.357 245 I CB -0.554 37.453 38.000 0.011 0.000 1.051 245 I HN 0.500 nan 8.210 nan 0.000 0.409 246 S N 0.431 116.134 115.700 0.005 0.000 2.419 246 S HA -0.207 4.262 4.470 -0.000 0.000 0.235 246 S C 1.636 176.239 174.600 0.006 0.000 1.019 246 S CA 1.296 59.499 58.200 0.005 0.000 0.982 246 S CB -0.509 62.694 63.200 0.005 0.000 0.789 246 S HN 0.548 nan 8.310 nan 0.000 0.490 247 E N 0.145 120.348 120.200 0.006 0.000 2.442 247 E HA 0.085 4.435 4.350 -0.000 0.000 0.195 247 E C 1.612 178.215 176.600 0.004 0.000 1.030 247 E CA 0.366 56.769 56.400 0.006 0.000 0.869 247 E CB 0.070 29.774 29.700 0.007 0.000 0.857 247 E HN 0.488 nan 8.360 nan 0.000 0.505 248 Q N -0.032 119.770 119.800 0.004 0.000 2.246 248 Q HA 0.208 4.548 4.340 -0.000 0.000 0.222 248 Q C 0.827 176.827 176.000 -0.001 0.000 0.851 248 Q CA 0.147 55.951 55.803 0.002 0.000 0.945 248 Q CB 0.999 29.739 28.738 0.004 0.000 1.122 248 Q HN 0.365 nan 8.270 nan 0.000 0.508 249 I N -2.188 118.381 120.570 -0.001 0.000 2.648 249 I HA 0.475 4.645 4.170 -0.000 0.000 0.304 249 I C -1.817 174.295 176.117 -0.009 0.000 1.009 249 I CA -2.315 58.981 61.300 -0.007 0.000 1.114 249 I CB 2.116 40.114 38.000 -0.004 0.000 1.293 249 I HN -0.284 nan 8.210 nan 0.000 0.449 250 P HA 0.250 nan 4.420 nan 0.000 0.255 250 P C -0.265 177.027 177.300 -0.013 0.000 1.248 250 P CA 0.284 63.375 63.100 -0.015 0.000 0.807 250 P CB 0.341 32.029 31.700 -0.021 0.000 1.150 251 L N 0.480 121.696 121.223 -0.012 0.000 2.331 251 L HA 0.528 4.868 4.340 -0.000 0.000 0.275 251 L C -2.470 174.411 176.870 0.019 0.000 1.022 251 L CA -2.755 52.084 54.840 -0.002 0.000 0.812 251 L CB 1.181 43.230 42.059 -0.017 0.000 1.257 251 L HN -0.328 nan 8.230 nan 0.000 0.435 252 P HA 0.284 nan 4.420 nan 0.000 0.271 252 P C -0.833 176.501 177.300 0.056 0.000 1.218 252 P CA 0.040 63.168 63.100 0.047 0.000 0.780 252 P CB 0.735 32.479 31.700 0.072 0.000 0.901 253 I N 1.435 122.008 120.570 0.004 0.000 2.493 253 I HA 0.644 4.814 4.170 -0.000 0.000 0.298 253 I C -0.002 176.040 176.117 -0.125 0.000 0.998 253 I CA -0.771 60.515 61.300 -0.023 0.000 1.137 253 I CB 1.867 39.856 38.000 -0.019 0.000 1.310 253 I HN 0.289 nan 8.210 nan 0.000 0.445 254 A N 5.820 128.526 122.820 -0.189 0.000 2.393 254 A HA 0.880 5.200 4.320 -0.000 0.000 0.306 254 A C -0.798 176.684 177.584 -0.170 0.000 1.050 254 A CA -0.492 51.348 52.037 -0.329 0.000 0.724 254 A CB 1.698 20.175 19.000 -0.871 0.000 1.248 254 A HN 0.637 nan 8.150 nan 0.000 0.424 255 V N -0.946 118.894 119.914 -0.125 0.000 3.202 255 V HA 0.997 5.117 4.120 -0.000 0.000 0.306 255 V C 0.315 176.384 176.094 -0.041 0.000 1.283 255 V CA 0.059 62.303 62.300 -0.094 0.000 1.065 255 V CB 1.180 32.931 31.823 -0.119 0.000 1.079 255 V HN 2.414 nan 8.190 nan 0.000 0.448 256 G N -0.030 108.719 108.800 -0.085 0.000 3.110 256 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.205 256 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.205 256 G C 0.754 175.627 174.900 -0.045 0.000 1.019 256 G CA 0.605 45.719 45.100 0.023 0.000 0.826 256 G HN 1.112 nan 8.290 nan 0.000 0.481 257 E N 0.430 120.573 120.200 -0.096 0.000 2.171 257 E HA -0.067 4.283 4.350 -0.000 0.000 0.197 257 E C 1.623 178.109 176.600 -0.190 0.000 0.997 257 E CA 0.845 57.141 56.400 -0.173 0.000 0.810 257 E CB -0.027 29.494 29.700 -0.298 0.000 0.738 257 E HN 0.466 nan 8.360 nan 0.000 0.467 258 R N 0.002 120.323 120.500 -0.298 0.000 2.816 258 R HA 0.265 4.605 4.340 -0.000 0.000 0.382 258 R C -1.311 174.444 176.300 -0.909 0.000 1.140 258 R CA -0.276 55.576 56.100 -0.412 0.000 1.050 258 R CB 1.554 31.757 30.300 -0.161 0.000 1.396 258 R HN -0.101 nan 8.270 nan 0.000 0.583 259 V N 1.188 120.388 119.914 -1.189 0.000 2.588 259 V HA 0.436 4.556 4.120 -0.000 0.000 0.304 259 V C -1.077 174.259 176.094 -1.263 0.000 1.042 259 V CA -0.941 60.599 62.300 -1.267 0.000 0.877 259 V CB 1.729 32.703 31.823 -1.416 0.000 0.996 259 V HN 0.190 nan 8.190 nan 0.000 0.425 260 Y N 2.075 122.237 120.300 -0.231 0.000 2.409 260 Y HA 0.673 5.222 4.550 -0.000 0.000 0.343 260 Y C 0.670 176.458 175.900 -0.187 0.000 0.973 260 Y CA -0.203 57.832 58.100 -0.108 0.000 1.064 260 Y CB 1.939 40.352 38.460 -0.079 0.000 1.207 260 Y HN 0.972 nan 8.280 nan 0.000 0.452 261 T N -0.959 113.575 114.554 -0.034 0.000 0.541 261 T HA -0.256 4.094 4.350 -0.000 0.000 0.774 261 T C 0.699 175.322 174.700 -0.130 0.000 0.992 261 T CA 0.588 62.561 62.100 -0.212 0.000 4.077 261 T CB -0.263 68.305 68.868 -0.501 0.000 2.303 261 T HN 0.903 nan 8.240 nan 0.000 0.398 262 R N 0.500 120.763 120.500 -0.395 0.000 2.105 262 R HA 0.031 4.371 4.340 -0.000 0.000 0.239 262 R C 2.435 178.682 176.300 -0.089 0.000 1.135 262 R CA 2.427 58.378 56.100 -0.247 0.000 0.967 262 R CB -0.545 29.525 30.300 -0.383 0.000 0.861 262 R HN 0.718 nan 8.270 nan 0.000 0.442 263 F N -0.602 119.360 119.950 0.020 0.000 2.171 263 F HA -0.087 4.440 4.527 -0.000 0.000 0.300 263 F C 2.587 178.370 175.800 -0.029 0.000 1.090 263 F CA 0.547 58.557 58.000 0.016 0.000 1.293 263 F CB -0.470 38.561 39.000 0.052 0.000 1.013 263 F HN 0.175 nan 8.300 nan 0.000 0.486 264 G N -0.145 108.691 108.800 0.060 0.000 2.394 264 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.214 264 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.214 264 G C 1.343 176.031 174.900 -0.353 0.000 1.176 264 G CA 0.295 45.314 45.100 -0.135 0.000 0.786 264 G HN 0.241 nan 8.290 nan 0.000 0.533 265 F N 0.939 120.674 119.950 -0.358 0.000 2.365 265 F HA 0.090 4.617 4.527 -0.000 0.000 0.300 265 F C 2.625 177.900 175.800 -0.874 0.000 1.090 265 F CA 1.009 58.581 58.000 -0.714 0.000 1.408 265 F CB -0.012 38.469 39.000 -0.865 0.000 1.060 265 F HN 0.049 nan 8.300 nan 0.000 0.534 266 R N 1.207 121.572 120.500 -0.225 0.000 2.091 266 R HA -0.207 4.133 4.340 -0.000 0.000 0.238 266 R C 1.958 178.175 176.300 -0.138 0.000 1.136 266 R CA 1.776 57.844 56.100 -0.053 0.000 0.959 266 R CB -0.236 30.126 30.300 0.103 0.000 0.856 266 R HN 0.181 nan 8.270 nan 0.000 0.437 267 K N -0.027 120.275 120.400 -0.163 0.000 2.147 267 K HA -0.085 4.234 4.320 -0.000 0.000 0.205 267 K C 1.992 178.477 176.600 -0.192 0.000 1.049 267 K CA 1.133 57.338 56.287 -0.138 0.000 0.936 267 K CB 0.019 32.447 32.500 -0.120 0.000 0.722 267 K HN 0.217 nan 8.250 nan 0.000 0.446 268 I N 0.152 120.519 120.570 -0.338 0.000 2.277 268 I HA -0.164 4.006 4.170 -0.000 0.000 0.243 268 I C 2.029 178.026 176.117 -0.201 0.000 1.094 268 I CA 1.408 62.524 61.300 -0.306 0.000 1.393 268 I CB -1.062 36.684 38.000 -0.423 0.000 1.078 268 I HN 0.101 nan 8.210 nan 0.000 0.417 269 F N 1.632 121.413 119.950 -0.281 0.000 2.126 269 F HA -0.208 4.319 4.527 -0.000 0.000 0.299 269 F C 2.509 177.972 175.800 -0.562 0.000 1.096 269 F CA 0.842 58.452 58.000 -0.650 0.000 1.255 269 F CB -0.365 37.930 39.000 -1.176 0.000 0.997 269 F HN 0.172 nan 8.300 nan 0.000 0.479 270 E N 0.526 120.650 120.200 -0.126 0.000 2.268 270 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 270 E C 2.150 178.773 176.600 0.038 0.000 0.995 270 E CA 0.715 57.123 56.400 0.014 0.000 0.836 270 E CB -0.182 29.540 29.700 0.037 0.000 0.763 270 E HN 0.521 nan 8.360 nan 0.000 0.491 271 L N 0.267 121.491 121.223 0.001 0.000 2.109 271 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 271 L C 0.741 177.636 176.870 0.042 0.000 1.086 271 L CA 0.552 55.400 54.840 0.013 0.000 0.760 271 L CB -0.290 41.760 42.059 -0.015 0.000 0.910 271 L HN 0.099 nan 8.230 nan 0.000 0.437 272 Q N -1.037 118.801 119.800 0.063 0.000 2.463 272 Q HA -0.263 4.077 4.340 -0.000 0.000 0.299 272 Q C 0.708 176.742 176.000 0.058 0.000 1.353 272 Q CA 0.318 56.180 55.803 0.097 0.000 0.828 272 Q CB -1.294 27.520 28.738 0.126 0.000 1.157 272 Q HN 0.627 nan 8.270 nan 0.000 0.436 273 A N -1.414 121.428 122.820 0.036 0.000 2.259 273 A HA 0.223 4.543 4.320 -0.000 0.000 0.213 273 A C 0.541 178.131 177.584 0.012 0.000 1.209 273 A CA 0.435 52.483 52.037 0.018 0.000 0.910 273 A CB 0.776 19.778 19.000 0.003 0.000 0.946 273 A HN 0.508 nan 8.150 nan 0.000 0.497 274 C N -1.267 118.043 119.300 0.017 0.000 2.397 274 C HA 0.681 5.140 4.460 -0.000 0.000 0.343 274 C C 1.765 176.764 174.990 0.016 0.000 1.188 274 C CA 0.040 59.059 59.018 0.001 0.000 1.992 274 C CB 1.167 28.901 27.740 -0.010 0.000 2.358 274 C HN 0.505 nan 8.230 nan 0.000 0.518 275 G N 0.373 109.163 108.800 -0.017 0.000 2.939 275 G HA2 0.390 4.350 3.960 -0.000 0.000 0.216 275 G HA3 0.390 4.350 3.960 -0.000 0.000 0.216 275 G C 0.098 174.972 174.900 -0.044 0.000 1.125 275 G CA 0.260 45.352 45.100 -0.014 0.000 0.766 275 G HN 0.680 nan 8.290 nan 0.000 0.541 276 I N 1.257 121.769 120.570 -0.096 0.000 2.619 276 I HA 0.434 4.604 4.170 -0.000 0.000 0.292 276 I C -0.821 175.231 176.117 -0.108 0.000 1.100 276 I CA -1.240 59.971 61.300 -0.149 0.000 1.043 276 I CB 2.540 40.326 38.000 -0.356 0.000 1.239 276 I HN 0.037 nan 8.210 nan 0.000 0.420 277 I N 1.833 122.380 120.570 -0.038 0.000 2.603 277 I HA 0.575 4.745 4.170 -0.000 0.000 0.300 277 I C -0.818 175.301 176.117 0.004 0.000 1.017 277 I CA -0.548 60.776 61.300 0.039 0.000 1.098 277 I CB 1.863 39.945 38.000 0.137 0.000 1.279 277 I HN 0.602 nan 8.210 nan 0.000 0.437 278 Q N 4.435 124.275 119.800 0.066 0.000 2.831 278 Q HA 0.370 4.710 4.340 -0.000 0.000 0.366 278 Q C -2.546 173.550 176.000 0.160 0.000 0.899 278 Q CA -1.754 54.105 55.803 0.093 0.000 0.987 278 Q CB 0.886 29.680 28.738 0.093 0.000 1.382 278 Q HN 0.508 nan 8.270 nan 0.000 0.403 279 P HA -0.011 nan 4.420 nan 0.000 0.272 279 P C -0.648 176.757 177.300 0.176 0.000 1.223 279 P CA 0.044 63.227 63.100 0.139 0.000 0.784 279 P CB 1.135 32.742 31.700 -0.154 0.000 0.923 280 D N 1.660 122.195 120.400 0.225 0.000 2.344 280 D HA 0.143 4.783 4.640 -0.000 0.000 0.239 280 D C 1.401 177.833 176.300 0.220 0.000 1.064 280 D CA -0.702 53.460 54.000 0.270 0.000 0.829 280 D CB 0.948 41.979 40.800 0.386 0.000 1.129 280 D HN 0.306 nan 8.370 nan 0.000 0.506 281 I N 1.016 121.694 120.570 0.179 0.000 2.850 281 I HA 0.067 4.236 4.170 -0.000 0.000 0.266 281 I C 1.450 177.691 176.117 0.206 0.000 1.257 281 I CA 0.825 62.227 61.300 0.170 0.000 1.465 281 I CB -0.047 38.038 38.000 0.142 0.000 1.091 281 I HN 0.321 nan 8.210 nan 0.000 0.467 282 G N 0.859 109.788 108.800 0.215 0.000 2.777 282 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.211 282 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.211 282 G C 1.405 176.445 174.900 0.234 0.000 1.149 282 G CA 0.924 46.150 45.100 0.211 0.000 0.785 282 G HN 0.554 nan 8.290 nan 0.000 0.536 283 T N -3.983 110.743 114.554 0.286 0.000 3.048 283 T HA 0.404 4.754 4.350 -0.000 0.000 0.254 283 T C 2.356 177.336 174.700 0.466 0.000 0.942 283 T CA 1.138 63.450 62.100 0.352 0.000 0.931 283 T CB -0.006 69.118 68.868 0.428 0.000 1.220 283 T HN 0.153 nan 8.240 nan 0.000 0.503 284 A N 1.369 124.416 122.820 0.378 0.000 2.125 284 A HA 0.527 4.847 4.320 -0.000 0.000 0.219 284 A C 2.082 179.804 177.584 0.230 0.000 1.156 284 A CA 1.497 53.718 52.037 0.307 0.000 0.671 284 A CB -1.053 18.068 19.000 0.202 0.000 0.794 284 A HN 1.492 nan 8.150 nan 0.000 0.459 285 G N -4.013 104.984 108.800 0.328 0.000 2.672 285 G HA2 0.459 4.418 3.960 -0.000 0.000 0.197 285 G HA3 0.459 4.418 3.960 -0.000 0.000 0.197 285 G C 0.926 176.148 174.900 0.537 0.000 0.995 285 G CA 0.424 45.822 45.100 0.496 0.000 0.754 285 G HN 2.216 nan 8.290 nan 0.000 0.505 286 G N -0.912 108.090 108.800 0.337 0.000 2.343 286 G HA2 0.355 4.315 3.960 -0.000 0.000 0.465 286 G HA3 0.355 4.315 3.960 -0.000 0.000 0.465 286 G C -0.237 174.780 174.900 0.195 0.000 1.282 286 G CA -0.369 44.922 45.100 0.318 0.000 0.996 286 G HN 0.874 nan 8.290 nan 0.000 0.521 290 T N 1.202 115.670 114.554 -0.144 0.000 2.821 290 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 290 T C 1.642 176.235 174.700 -0.179 0.000 1.046 290 T CA 1.585 63.599 62.100 -0.142 0.000 1.139 290 T CB -0.155 68.683 68.868 -0.049 0.000 0.871 290 T HN 0.133 nan 8.240 nan 0.000 0.454 291 K N 1.233 121.502 120.400 -0.217 0.000 2.057 291 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 291 K C 2.161 178.613 176.600 -0.247 0.000 1.049 291 K CA 1.327 57.459 56.287 -0.259 0.000 0.931 291 K CB -0.022 32.186 32.500 -0.487 0.000 0.714 291 K HN 0.213 nan 8.250 nan 0.000 0.440 292 K N 0.451 120.686 120.400 -0.275 0.000 2.057 292 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 292 K C 2.125 178.623 176.600 -0.171 0.000 1.049 292 K CA 1.602 57.751 56.287 -0.230 0.000 0.931 292 K CB -0.146 32.194 32.500 -0.268 0.000 0.714 292 K HN 0.195 nan 8.250 nan 0.000 0.440 293 I N 0.780 121.233 120.570 -0.194 0.000 2.226 293 I HA -0.361 3.809 4.170 -0.000 0.000 0.245 293 I C 2.350 178.400 176.117 -0.111 0.000 1.100 293 I CA 1.014 62.212 61.300 -0.169 0.000 1.374 293 I CB -0.356 37.399 38.000 -0.409 0.000 1.057 293 I HN 0.272 nan 8.210 nan 0.000 0.413 294 C N 0.779 119.989 119.300 -0.149 0.000 2.446 294 C HA 0.055 4.515 4.460 -0.000 0.000 0.277 294 C C 1.986 176.912 174.990 -0.108 0.000 1.275 294 C CA 0.025 58.978 59.018 -0.108 0.000 1.727 294 C CB -1.362 26.328 27.740 -0.083 0.000 2.010 294 C HN 0.500 nan 8.230 nan 0.000 0.486 298 E N 0.809 120.905 120.200 -0.173 0.000 2.153 298 E HA -0.055 4.295 4.350 -0.000 0.000 0.194 298 E C 1.976 178.485 176.600 -0.152 0.000 0.988 298 E CA 1.011 57.338 56.400 -0.122 0.000 0.811 298 E CB -0.148 29.492 29.700 -0.100 0.000 0.746 298 E HN 0.664 nan 8.360 nan 0.000 0.466 299 A N 0.281 122.977 122.820 -0.207 0.000 2.172 299 A HA -0.120 4.199 4.320 -0.000 0.000 0.216 299 A C 0.898 178.167 177.584 -0.524 0.000 1.154 299 A CA 0.866 52.708 52.037 -0.324 0.000 0.701 299 A CB -0.275 18.520 19.000 -0.343 0.000 0.789 299 A HN 0.255 nan 8.150 nan 0.000 0.465 300 Y N -0.929 119.221 120.300 -0.250 0.000 2.681 300 Y HA 0.270 4.820 4.550 -0.000 0.000 0.267 300 Y C 0.603 176.438 175.900 -0.109 0.000 1.166 300 Y CA -0.624 57.370 58.100 -0.176 0.000 1.209 300 Y CB -0.225 38.100 38.460 -0.224 0.000 1.161 300 Y HN 0.377 nan 8.280 nan 0.000 0.534 304 V N 0.145 120.029 119.914 -0.050 0.000 2.540 304 V HA 0.779 4.899 4.120 -0.000 0.000 0.302 304 V C -0.464 175.594 176.094 -0.060 0.000 1.035 304 V CA -0.494 61.786 62.300 -0.033 0.000 0.873 304 V CB 1.610 33.448 31.823 0.024 0.000 0.992 304 V HN 0.917 nan 8.190 nan 0.000 0.428 305 A N 6.086 128.887 122.820 -0.031 0.000 2.802 305 A HA 0.756 5.075 4.320 -0.000 0.000 0.344 305 A C -2.715 174.935 177.584 0.112 0.000 1.215 305 A CA -1.613 50.440 52.037 0.026 0.000 0.821 305 A CB 0.348 19.382 19.000 0.057 0.000 1.099 305 A HN 0.624 nan 8.150 nan 0.000 0.479 306 P HA -0.085 nan 4.420 nan 0.000 0.261 306 P C -0.224 177.152 177.300 0.128 0.000 1.173 306 P CA 0.649 63.833 63.100 0.140 0.000 0.760 306 P CB 0.173 31.966 31.700 0.155 0.000 0.783 307 H N 3.501 122.629 119.070 0.097 0.000 2.580 307 H HA 0.459 5.015 4.556 -0.000 0.000 0.322 307 H C -1.141 174.256 175.328 0.114 0.000 1.082 307 H CA -0.405 55.718 56.048 0.124 0.000 1.383 307 H CB 0.833 30.697 29.762 0.169 0.000 1.450 307 H HN 0.183 nan 8.280 nan 0.000 0.505 308 V N 6.452 126.064 119.914 -0.503 0.000 2.610 308 V HA 0.316 4.436 4.120 -0.000 0.000 0.298 308 V C -1.641 174.302 176.094 -0.251 0.000 1.067 308 V CA -0.572 61.564 62.300 -0.273 0.000 0.894 308 V CB 1.145 32.883 31.823 -0.141 0.000 1.015 308 V HN 0.900 nan 8.190 nan 0.000 0.432 309 C N 6.227 125.425 119.300 -0.170 0.000 2.919 309 C HA 0.936 5.396 4.460 -0.000 0.000 0.337 309 C C 0.424 175.414 174.990 -0.000 0.000 1.039 309 C CA 0.625 59.498 59.018 -0.242 0.000 1.373 309 C CB -0.232 27.247 27.740 -0.435 0.000 1.843 309 C HN 1.504 nan 8.230 nan 0.000 0.493 310 G N 2.911 111.707 108.800 -0.006 0.000 2.635 310 G HA2 0.622 4.582 3.960 -0.000 0.000 0.194 310 G HA3 0.622 4.582 3.960 -0.000 0.000 0.194 310 G C -0.272 174.684 174.900 0.093 0.000 1.198 310 G CA 0.464 45.610 45.100 0.076 0.000 0.972 310 G HN 1.248 nan 8.290 nan 0.000 0.520 311 S N -0.631 115.124 115.700 0.092 0.000 2.652 311 S HA 0.456 4.926 4.470 -0.000 0.000 0.267 311 S C 1.483 176.157 174.600 0.123 0.000 1.201 311 S CA 0.936 59.203 58.200 0.112 0.000 0.996 311 S CB 1.191 64.422 63.200 0.051 0.000 1.054 311 S HN 0.670 nan 8.310 nan 0.000 0.561 312 S N 0.136 115.923 115.700 0.143 0.000 2.442 312 S HA -0.056 4.413 4.470 -0.000 0.000 0.236 312 S C 1.586 176.241 174.600 0.090 0.000 1.007 312 S CA 0.939 59.222 58.200 0.139 0.000 0.965 312 S CB -0.809 62.486 63.200 0.159 0.000 0.773 312 S HN 0.597 nan 8.310 nan 0.000 0.504 313 L N 1.639 122.907 121.223 0.074 0.000 1.988 313 L HA 0.035 4.374 4.340 -0.000 0.000 0.207 313 L C 2.021 178.932 176.870 0.069 0.000 1.071 313 L CA 1.543 56.421 54.840 0.064 0.000 0.744 313 L CB -0.787 41.307 42.059 0.059 0.000 0.893 313 L HN 0.238 nan 8.230 nan 0.000 0.433 314 I N -0.089 120.528 120.570 0.078 0.000 2.264 314 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 314 I C 2.494 178.655 176.117 0.074 0.000 1.111 314 I CA 1.834 63.185 61.300 0.085 0.000 1.382 314 I CB -0.382 37.675 38.000 0.095 0.000 1.060 314 I HN 0.597 nan 8.210 nan 0.000 0.418 315 E N -0.781 119.459 120.200 0.067 0.000 2.072 315 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 315 E C 2.010 178.623 176.600 0.022 0.000 0.985 315 E CA 1.750 58.187 56.400 0.061 0.000 0.801 315 E CB -0.132 29.608 29.700 0.067 0.000 0.750 315 E HN 0.487 nan 8.360 nan 0.000 0.452 316 T N 0.374 114.936 114.554 0.013 0.000 2.777 316 T HA -0.071 4.278 4.350 -0.000 0.000 0.266 316 T C 1.841 176.547 174.700 0.009 0.000 1.040 316 T CA 1.140 63.235 62.100 -0.007 0.000 1.141 316 T CB -0.275 68.603 68.868 0.017 0.000 0.868 316 T HN 0.336 nan 8.240 nan 0.000 0.444 317 A N 1.239 124.080 122.820 0.035 0.000 1.933 317 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 317 A C 2.517 180.127 177.584 0.043 0.000 1.175 317 A CA 1.944 54.005 52.037 0.042 0.000 0.628 317 A CB -1.172 17.870 19.000 0.069 0.000 0.814 317 A HN 0.457 nan 8.150 nan 0.000 0.444 318 T N 0.527 115.117 114.554 0.059 0.000 2.788 318 T HA -0.062 4.288 4.350 -0.000 0.000 0.268 318 T C 1.705 176.432 174.700 0.044 0.000 1.044 318 T CA 1.340 63.486 62.100 0.077 0.000 1.139 318 T CB -0.376 68.561 68.868 0.115 0.000 0.867 318 T HN 0.405 nan 8.240 nan 0.000 0.454 319 L N 0.899 122.118 121.223 -0.007 0.000 2.191 319 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 319 L C 2.943 179.787 176.870 -0.043 0.000 1.103 319 L CA 0.874 55.659 54.840 -0.091 0.000 0.769 319 L CB -0.561 41.414 42.059 -0.141 0.000 0.908 319 L HN 0.199 nan 8.230 nan 0.000 0.438 320 Q N -0.127 119.686 119.800 0.021 0.000 2.061 320 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 320 Q C 2.309 178.335 176.000 0.044 0.000 0.984 320 Q CA 1.654 57.505 55.803 0.079 0.000 0.846 320 Q CB -0.528 28.189 28.738 -0.036 0.000 0.902 320 Q HN 0.424 nan 8.270 nan 0.000 0.421 321 L N 1.374 122.614 121.223 0.029 0.000 1.994 321 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 321 L C 1.922 178.779 176.870 -0.021 0.000 1.071 321 L CA 1.814 56.688 54.840 0.057 0.000 0.745 321 L CB -0.364 41.737 42.059 0.070 0.000 0.892 321 L HN 0.168 nan 8.230 nan 0.000 0.431 322 E N -0.338 119.797 120.200 -0.109 0.000 2.333 322 E HA -0.165 4.184 4.350 -0.000 0.000 0.198 322 E C 1.975 178.312 176.600 -0.438 0.000 1.007 322 E CA 0.794 56.980 56.400 -0.357 0.000 0.845 322 E CB -0.266 29.094 29.700 -0.567 0.000 0.766 322 E HN 0.672 nan 8.360 nan 0.000 0.507 323 A N 1.286 123.922 122.820 -0.307 0.000 2.123 323 A HA -0.076 4.243 4.320 -0.000 0.000 0.214 323 A C 1.902 179.321 177.584 -0.275 0.000 1.152 323 A CA 0.787 52.598 52.037 -0.376 0.000 0.728 323 A CB -0.074 18.570 19.000 -0.592 0.000 0.814 323 A HN 0.170 nan 8.150 nan 0.000 0.464 324 N N 0.082 118.703 118.700 -0.133 0.000 2.382 324 N HA 0.073 4.812 4.740 -0.000 0.000 0.200 324 N C 0.556 176.061 175.510 -0.008 0.000 1.122 324 N CA -0.000 53.030 53.050 -0.033 0.000 0.870 324 N CB 0.273 38.817 38.487 0.095 0.000 1.176 324 N HN 0.536 nan 8.380 nan 0.000 0.474 325 I N 1.182 121.750 120.570 -0.002 0.000 2.634 325 I HA 0.153 4.323 4.170 -0.000 0.000 0.284 325 I C 1.527 177.667 176.117 0.039 0.000 1.124 325 I CA -0.277 61.034 61.300 0.018 0.000 1.417 325 I CB 1.145 39.171 38.000 0.044 0.000 1.396 325 I HN -0.127 nan 8.210 nan 0.000 0.571 326 T N 0.371 114.938 114.554 0.021 0.000 3.023 326 T HA -0.071 4.279 4.350 -0.000 0.000 0.266 326 T C 0.974 175.705 174.700 0.052 0.000 1.093 326 T CA 0.750 62.867 62.100 0.027 0.000 1.129 326 T CB -0.567 68.301 68.868 -0.001 0.000 0.899 326 T HN 0.840 nan 8.240 nan 0.000 0.491 327 N N 0.748 119.481 118.700 0.055 0.000 2.453 327 N HA 0.181 4.921 4.740 -0.000 0.000 0.270 327 N C -0.337 175.227 175.510 0.091 0.000 1.195 327 N CA -0.908 52.171 53.050 0.049 0.000 0.902 327 N CB -0.666 37.822 38.487 0.002 0.000 1.186 327 N HN 0.438 nan 8.380 nan 0.000 0.510 331 H N 4.206 123.429 119.070 0.255 0.000 2.479 331 H HA 0.474 5.030 4.556 -0.000 0.000 0.335 331 H C -0.970 174.208 175.328 -0.249 0.000 1.142 331 H CA -0.166 55.977 56.048 0.159 0.000 1.234 331 H CB 1.449 31.330 29.762 0.198 0.000 1.503 331 H HN 0.538 nan 8.280 nan 0.000 0.510 332 E N 3.268 122.922 120.200 -0.910 0.000 2.156 332 E HA 0.208 4.558 4.350 -0.000 0.000 0.279 332 E C -1.412 174.816 176.600 -0.619 0.000 0.965 332 E CA -0.808 54.936 56.400 -1.093 0.000 0.789 332 E CB 0.614 29.857 29.700 -0.762 0.000 1.098 332 E HN 0.684 nan 8.360 nan 0.000 0.397 333 H N 3.011 121.752 119.070 -0.548 0.000 2.806 333 H HA 0.297 4.853 4.556 -0.000 0.000 0.367 333 H C -1.853 173.247 175.328 -0.381 0.000 1.136 333 H CA -0.620 55.311 56.048 -0.194 0.000 1.178 333 H CB 0.901 30.826 29.762 0.271 0.000 1.718 333 H HN 0.513 nan 8.280 nan 0.000 0.540 334 Y N 6.066 125.895 120.300 -0.784 0.000 2.944 334 Y HA 0.223 4.773 4.550 -0.000 0.000 0.335 334 Y C -1.615 173.845 175.900 -0.733 0.000 1.075 334 Y CA -1.971 55.660 58.100 -0.781 0.000 1.240 334 Y CB 1.129 38.753 38.460 -1.392 0.000 1.167 334 Y HN 0.618 nan 8.280 nan 0.000 0.555 335 P HA -0.214 nan 4.420 nan 0.000 0.220 335 P C 1.210 178.518 177.300 0.012 0.000 1.148 335 P CA 1.534 64.599 63.100 -0.057 0.000 0.803 335 P CB 0.459 32.277 31.700 0.197 0.000 0.782 336 A N -0.652 122.199 122.820 0.052 0.000 1.968 336 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 336 A C 1.943 179.622 177.584 0.158 0.000 1.169 336 A CA 0.735 52.835 52.037 0.105 0.000 0.638 336 A CB -1.535 17.526 19.000 0.101 0.000 0.812 336 A HN -0.031 nan 8.150 nan 0.000 0.446 337 F N 0.658 120.528 119.950 -0.134 0.000 2.147 337 F HA -0.203 4.324 4.527 -0.000 0.000 0.301 337 F C 2.043 177.620 175.800 -0.371 0.000 1.084 337 F CA 1.760 59.656 58.000 -0.174 0.000 1.268 337 F CB -0.659 38.255 39.000 -0.144 0.000 1.009 337 F HN 0.094 nan 8.300 nan 0.000 0.486 338 K N -0.094 120.105 120.400 -0.335 0.000 2.280 338 K HA -0.022 4.298 4.320 -0.000 0.000 0.202 338 K C 1.827 178.184 176.600 -0.404 0.000 1.047 338 K CA 0.945 56.737 56.287 -0.824 0.000 0.942 338 K CB -0.597 31.634 32.500 -0.449 0.000 0.739 338 K HN 0.194 nan 8.250 nan 0.000 0.457 339 A N 0.222 122.948 122.820 -0.156 0.000 2.345 339 A HA 0.090 4.410 4.320 -0.000 0.000 0.225 339 A C -0.363 177.209 177.584 -0.020 0.000 1.243 339 A CA -0.304 51.703 52.037 -0.050 0.000 0.875 339 A CB -0.020 18.968 19.000 -0.020 0.000 0.929 339 A HN 0.067 nan 8.150 nan 0.000 0.502 340 D N 1.848 122.232 120.400 -0.027 0.000 2.389 340 D HA 0.182 4.822 4.640 -0.000 0.000 0.247 340 D C -0.558 175.772 176.300 0.050 0.000 1.128 340 D CA 0.250 54.241 54.000 -0.014 0.000 0.884 340 D CB 0.646 41.410 40.800 -0.060 0.000 1.194 340 D HN 0.202 nan 8.370 nan 0.000 0.441 341 D N 1.982 122.394 120.400 0.021 0.000 2.363 341 D HA 0.301 4.940 4.640 -0.000 0.000 0.263 341 D C 1.331 177.661 176.300 0.050 0.000 1.258 341 D CA 0.470 54.493 54.000 0.038 0.000 0.907 341 D CB 0.871 41.682 40.800 0.018 0.000 1.107 341 D HN 0.653 nan 8.370 nan 0.000 0.495 342 G N 2.575 111.423 108.800 0.079 0.000 2.184 342 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.206 342 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.206 342 G C 0.173 175.122 174.900 0.080 0.000 0.995 342 G CA -0.425 44.718 45.100 0.073 0.000 0.651 342 G HN 0.531 nan 8.290 nan 0.000 0.511 343 Y N 1.534 121.837 120.300 0.004 0.000 2.717 343 Y HA 0.398 4.948 4.550 -0.000 0.000 0.330 343 Y C 0.290 176.208 175.900 0.029 0.000 1.217 343 Y CA 0.227 58.331 58.100 0.007 0.000 1.506 343 Y CB 0.782 39.258 38.460 0.025 0.000 1.268 343 Y HN 0.182 nan 8.280 nan 0.000 0.561 344 V N 7.103 126.563 119.914 -0.756 0.000 2.357 344 V HA 0.191 4.311 4.120 -0.000 0.000 0.284 344 V C -0.477 175.082 176.094 -0.892 0.000 1.018 344 V CA -0.954 60.995 62.300 -0.584 0.000 0.841 344 V CB 1.265 32.916 31.823 -0.286 0.000 0.991 344 V HN 0.700 nan 8.190 nan 0.000 0.437 345 E N 3.775 123.639 120.200 -0.560 0.000 2.152 345 E HA 0.252 4.601 4.350 -0.000 0.000 0.285 345 E C 0.570 177.095 176.600 -0.125 0.000 1.043 345 E CA -0.229 56.012 56.400 -0.265 0.000 0.839 345 E CB 1.539 31.255 29.700 0.026 0.000 1.069 345 E HN 0.532 nan 8.360 nan 0.000 0.399 346 V N 2.971 122.834 119.914 -0.084 0.000 3.354 346 V HA 0.311 4.430 4.120 -0.000 0.000 0.258 346 V C 0.611 176.697 176.094 -0.014 0.000 1.159 346 V CA 0.219 62.486 62.300 -0.055 0.000 1.125 346 V CB -0.453 31.337 31.823 -0.056 0.000 0.774 346 V HN 0.450 nan 8.190 nan 0.000 0.464 347 L N 0.306 121.543 121.223 0.024 0.000 2.334 347 L HA 0.549 4.889 4.340 -0.000 0.000 0.273 347 L C 1.318 178.215 176.870 0.045 0.000 1.013 347 L CA -0.476 54.386 54.840 0.037 0.000 0.816 347 L CB 1.900 43.993 42.059 0.057 0.000 1.278 347 L HN 0.012 nan 8.230 nan 0.000 0.431 348 E N 1.241 121.463 120.200 0.037 0.000 2.047 348 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 348 E C 0.033 176.663 176.600 0.049 0.000 0.987 348 E CA 1.340 57.762 56.400 0.037 0.000 0.799 348 E CB 0.300 30.017 29.700 0.028 0.000 0.752 348 E HN 0.431 nan 8.360 nan 0.000 0.449 349 N N 1.480 120.210 118.700 0.051 0.000 2.804 349 N HA 0.216 4.956 4.740 -0.000 0.000 0.251 349 N C -2.624 172.929 175.510 0.072 0.000 1.250 349 N CA -1.008 52.077 53.050 0.058 0.000 0.820 349 N CB 1.575 40.090 38.487 0.045 0.000 1.156 349 N HN 0.167 nan 8.380 nan 0.000 0.512 350 P HA 0.281 nan 4.420 nan 0.000 0.274 350 P C -2.550 174.832 177.300 0.136 0.000 1.237 350 P CA -0.888 62.284 63.100 0.120 0.000 0.793 350 P CB 0.151 31.948 31.700 0.161 0.000 0.977 351 P HA 0.051 nan 4.420 nan 0.000 0.267 351 P C -0.452 177.070 177.300 0.371 0.000 1.205 351 P CA 0.158 63.393 63.100 0.225 0.000 0.765 351 P CB 0.351 32.081 31.700 0.050 0.000 0.828 352 S N 2.706 118.561 115.700 0.259 0.000 2.552 352 S HA 0.505 4.975 4.470 -0.000 0.000 0.314 352 S C 0.177 174.601 174.600 -0.293 0.000 1.099 352 S CA -0.897 57.344 58.200 0.069 0.000 1.070 352 S CB 0.276 63.494 63.200 0.030 0.000 0.998 352 S HN 0.189 nan 8.310 nan 0.000 0.474 353 I N 2.252 122.462 120.570 -0.600 0.000 2.872 353 I HA 0.294 4.464 4.170 -0.000 0.000 0.291 353 I C 0.907 176.731 176.117 -0.489 0.000 1.216 353 I CA 0.433 61.161 61.300 -0.953 0.000 1.424 353 I CB 0.398 37.976 38.000 -0.705 0.000 1.351 353 I HN 0.758 nan 8.210 nan 0.000 0.592 354 S N 3.243 118.679 115.700 -0.440 0.000 2.293 354 S HA 0.404 4.873 4.470 -0.000 0.000 0.154 354 S C -0.220 174.272 174.600 -0.180 0.000 1.602 354 S CA -0.321 57.736 58.200 -0.239 0.000 1.260 354 S CB -0.513 62.588 63.200 -0.166 0.000 1.270 354 S HN 0.718 nan 8.310 nan 0.000 0.416 355 S N 1.888 117.449 115.700 -0.230 0.000 3.858 355 S HA -0.129 4.341 4.470 -0.000 0.000 0.356 355 S C 1.160 175.653 174.600 -0.179 0.000 1.013 355 S CA 1.021 59.111 58.200 -0.184 0.000 1.083 355 S CB -1.726 61.430 63.200 -0.073 0.000 0.883 355 S HN 2.135 nan 8.310 nan 0.000 0.475 356 G N -1.181 107.340 108.800 -0.466 0.000 2.179 356 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.260 356 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.260 356 G C -0.184 174.434 174.900 -0.470 0.000 0.977 356 G CA 0.576 45.370 45.100 -0.511 0.000 0.641 356 G HN 0.763 nan 8.290 nan 0.000 0.533 357 Y N -1.209 118.897 120.300 -0.324 0.000 2.509 357 Y HA 0.743 5.292 4.550 -0.000 0.000 0.341 357 Y C -0.151 175.503 175.900 -0.409 0.000 1.038 357 Y CA -1.210 56.756 58.100 -0.224 0.000 1.089 357 Y CB 1.526 39.906 38.460 -0.133 0.000 1.241 357 Y HN 0.004 nan 8.280 nan 0.000 0.468 358 F N 1.680 121.624 119.950 -0.009 0.000 2.493 358 F HA 0.350 4.877 4.527 -0.000 0.000 0.329 358 F C 0.265 176.015 175.800 -0.084 0.000 1.126 358 F CA -1.038 56.891 58.000 -0.118 0.000 0.937 358 F CB 1.287 40.115 39.000 -0.287 0.000 1.146 358 F HN 0.429 nan 8.300 nan 0.000 0.442 362 N N -1.075 117.667 118.700 0.070 0.000 2.227 362 N HA 0.216 4.956 4.740 -0.000 0.000 0.196 362 N C 0.980 176.482 175.510 -0.013 0.000 1.142 362 N CA -0.020 53.062 53.050 0.054 0.000 0.887 362 N CB 0.752 39.269 38.487 0.051 0.000 1.022 362 N HN 0.578 nan 8.380 nan 0.000 0.500 363 G N 2.179 110.968 108.800 -0.019 0.000 2.667 363 G HA2 0.159 4.119 3.960 -0.000 0.000 0.250 363 G HA3 0.159 4.119 3.960 -0.000 0.000 0.250 363 G C -2.339 172.513 174.900 -0.080 0.000 1.212 363 G CA -0.643 44.435 45.100 -0.035 0.000 0.874 363 G HN -0.068 nan 8.290 nan 0.000 0.561 364 P HA 0.290 nan 4.420 nan 0.000 0.274 364 P C 1.009 178.258 177.300 -0.084 0.000 1.246 364 P CA 0.943 63.990 63.100 -0.087 0.000 0.795 364 P CB 0.825 32.496 31.700 -0.050 0.000 1.006 365 G N 0.941 109.682 108.800 -0.097 0.000 2.583 365 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.292 365 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.292 365 G C 0.891 175.732 174.900 -0.098 0.000 1.203 365 G CA 0.369 45.431 45.100 -0.064 0.000 0.987 365 G HN 0.481 nan 8.290 nan 0.000 0.554 366 L N 2.209 123.409 121.223 -0.039 0.000 2.478 366 L HA 0.329 4.669 4.340 -0.000 0.000 0.223 366 L C 2.300 179.150 176.870 -0.033 0.000 1.140 366 L CA 0.962 55.782 54.840 -0.034 0.000 0.842 366 L CB -0.666 41.403 42.059 0.016 0.000 0.953 366 L HN 2.006 nan 8.230 nan 0.000 0.452 367 G N 0.806 109.584 108.800 -0.036 0.000 2.246 367 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.273 367 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.273 367 G C 0.080 174.982 174.900 0.004 0.000 1.055 367 G CA 0.245 45.331 45.100 -0.022 0.000 0.851 367 G HN 0.551 nan 8.290 nan 0.000 0.500 368 A N -0.852 121.975 122.820 0.011 0.000 2.393 368 A HA 0.840 5.160 4.320 -0.000 0.000 0.306 368 A C -0.403 177.194 177.584 0.022 0.000 1.050 368 A CA -0.434 51.616 52.037 0.022 0.000 0.724 368 A CB 2.347 21.364 19.000 0.030 0.000 1.248 368 A HN 1.200 nan 8.150 nan 0.000 0.424 369 V N 3.886 123.814 119.914 0.022 0.000 2.378 369 V HA 0.317 4.437 4.120 -0.000 0.000 0.288 369 V C -0.020 176.082 176.094 0.014 0.000 1.016 369 V CA -0.326 61.985 62.300 0.018 0.000 0.840 369 V CB 1.178 33.012 31.823 0.018 0.000 0.994 369 V HN 0.814 nan 8.190 nan 0.000 0.431 370 L N 5.345 126.571 121.223 0.006 0.000 2.417 370 L HA 0.422 4.762 4.340 -0.000 0.000 0.268 370 L C -0.008 176.850 176.870 -0.020 0.000 1.158 370 L CA -0.144 54.687 54.840 -0.015 0.000 0.819 370 L CB 0.899 42.936 42.059 -0.036 0.000 1.112 370 L HN 0.507 nan 8.230 nan 0.000 0.458 371 I N 3.935 124.487 120.570 -0.030 0.000 2.316 371 I HA 0.078 4.248 4.170 -0.000 0.000 0.286 371 I C 1.020 177.109 176.117 -0.047 0.000 1.107 371 I CA -0.493 60.793 61.300 -0.023 0.000 1.219 371 I CB 0.618 38.610 38.000 -0.012 0.000 1.455 371 I HN 0.607 nan 8.210 nan 0.000 0.498 372 K N 3.612 123.985 120.400 -0.045 0.000 2.228 372 K HA -0.214 4.106 4.320 -0.000 0.000 0.205 372 K C 1.932 178.508 176.600 -0.040 0.000 1.045 372 K CA 1.246 57.497 56.287 -0.060 0.000 0.931 372 K CB -0.229 32.262 32.500 -0.015 0.000 0.727 372 K HN 0.504 nan 8.250 nan 0.000 0.458 373 R N 1.050 121.538 120.500 -0.019 0.000 2.081 373 R HA -0.072 4.268 4.340 -0.000 0.000 0.235 373 R C 1.566 177.861 176.300 -0.008 0.000 1.131 373 R CA 1.393 57.489 56.100 -0.008 0.000 0.960 373 R CB 0.024 30.324 30.300 -0.001 0.000 0.856 373 R HN 0.172 nan 8.270 nan 0.000 0.436 374 N N 0.676 119.371 118.700 -0.008 0.000 2.354 374 N HA -0.101 4.639 4.740 -0.000 0.000 0.179 374 N C 1.735 177.291 175.510 0.077 0.000 1.021 374 N CA 1.399 54.461 53.050 0.021 0.000 0.887 374 N CB 0.028 38.513 38.487 -0.003 0.000 0.974 374 N HN 0.534 nan 8.380 nan 0.000 0.437 375 I N -2.017 118.552 120.570 -0.001 0.000 3.854 375 I HA 0.213 4.383 4.170 -0.000 0.000 0.312 375 I C 1.969 178.125 176.117 0.065 0.000 1.273 375 I CA 0.378 61.690 61.300 0.021 0.000 1.298 375 I CB 0.086 37.877 38.000 -0.349 0.000 1.071 375 I HN -0.282 nan 8.210 nan 0.000 0.428 376 E N 2.901 123.113 120.200 0.019 0.000 2.114 376 E HA -0.169 4.181 4.350 -0.000 0.000 0.199 376 E C -0.537 176.108 176.600 0.075 0.000 1.008 376 E CA 2.233 58.701 56.400 0.112 0.000 0.810 376 E CB -1.498 28.233 29.700 0.052 0.000 0.739 376 E HN 0.400 nan 8.360 nan 0.000 0.456 377 P HA -0.111 nan 4.420 nan 0.000 0.225 377 P C 0.030 177.090 177.300 -0.401 0.000 1.148 377 P CA 1.073 63.980 63.100 -0.323 0.000 0.779 377 P CB -0.062 31.302 31.700 -0.559 0.000 0.780 378 Y N -1.960 118.445 120.300 0.176 0.000 2.607 378 Y HA 0.256 4.806 4.550 -0.000 0.000 0.266 378 Y C 0.797 176.896 175.900 0.332 0.000 1.178 378 Y CA -1.256 56.979 58.100 0.225 0.000 1.226 378 Y CB -0.593 37.982 38.460 0.192 0.000 1.144 378 Y HN -0.138 nan 8.280 nan 0.000 0.528 379 L N -0.182 121.274 121.223 0.387 0.000 2.584 379 L HA -0.101 4.239 4.340 -0.000 0.000 0.272 379 L C 0.526 177.486 176.870 0.151 0.000 1.195 379 L CA 0.433 55.377 54.840 0.173 0.000 0.920 379 L CB 0.324 42.433 42.059 0.083 0.000 1.173 379 L HN 0.487 nan 8.230 nan 0.000 0.489 380 W N 5.197 126.446 121.300 -0.086 0.000 2.699 380 W HA 0.568 5.228 4.660 -0.000 0.000 0.265 380 W C 0.229 176.702 176.519 -0.076 0.000 1.210 380 W CA 0.710 58.028 57.345 -0.045 0.000 1.414 380 W CB 0.326 29.775 29.460 -0.018 0.000 1.043 380 W HN 0.696 nan 8.180 nan 0.000 0.599 381 A N -0.174 122.661 122.820 0.026 0.000 2.612 381 A HA 0.684 5.004 4.320 -0.000 0.000 0.293 381 A C -1.289 176.246 177.584 -0.082 0.000 1.075 381 A CA -0.545 51.432 52.037 -0.100 0.000 0.680 381 A CB 1.119 20.109 19.000 -0.017 0.000 1.279 381 A HN -0.138 nan 8.150 nan 0.000 0.411 382 S N -0.204 115.446 115.700 -0.084 0.000 2.677 382 S HA 0.548 5.018 4.470 -0.000 0.000 0.283 382 S C -0.961 173.615 174.600 -0.040 0.000 1.159 382 S CA -0.380 57.783 58.200 -0.062 0.000 1.001 382 S CB 0.986 64.149 63.200 -0.062 0.000 1.032 382 S HN 0.923 nan 8.310 nan 0.000 0.487 383 C N 3.132 122.421 119.300 -0.018 0.000 2.322 383 C HA 0.944 5.404 4.460 -0.000 0.000 0.324 383 C C 0.726 175.714 174.990 -0.004 0.000 1.284 383 C CA -0.669 58.343 59.018 -0.011 0.000 1.606 383 C CB 0.159 27.901 27.740 0.003 0.000 2.251 383 C HN 0.979 nan 8.230 nan 0.000 0.502 384 T N 0.000 114.549 114.554 -0.008 0.000 3.816 384 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 384 T CA 0.000 62.099 62.100 -0.002 0.000 1.349 384 T CB 0.000 68.866 68.868 -0.003 0.000 0.612 384 T HN 0.000 nan 8.240 nan 0.000 0.658