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 1zxn_1_B DATA FIRST_RESID 29 DATA SEQUENCE SVERIYQKKT QLEHILLRPD TYIGSVELVT QQMWVYDEDV GINYREVTFV DATA SEQUENCE PGLYKIFDEI LVNAADNKQR DPKMSCIRVT IDPENNLISI WNNGKGIPVV DATA SEQUENCE EHKVEKMYVP ALIFGQLLTS SNYDDDEKKV TGGRNGYGAK LCNIFSTKFT DATA SEQUENCE VETASREYKK MFKQTWMDNM GRAGEMELKP FNGEDYTCIT FQPDLSKFKM DATA SEQUENCE QSLDKDIVAL MVRRAYDIAG STKDVKVFLN GNKLPVKGFR SYVDMYLKXX DATA SEQUENCE XXXXXXXXKV IHEQVNHRWE VCLTMSEKGF QQISFVNSIA TSKGGRHVDY DATA SEQUENCE VADQIVTKLV DVVKKKXXXX XXXKAHQVKN HMWIFVNALI ENPTFDSQTK DATA SEQUENCE ENMTLQPKSF GSTCQLSEKF IKAAIGCGIV ESILNWVKFK AQVQLN 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 29 S HA 0.000 nan 4.470 nan 0.000 0.327 29 S C 0.000 174.630 174.600 0.050 0.000 1.055 29 S CA 0.000 58.217 58.200 0.029 0.000 1.107 29 S CB 0.000 63.220 63.200 0.033 0.000 0.593 30 V N 3.164 123.129 119.914 0.085 0.000 2.278 30 V HA -0.227 3.892 4.120 -0.000 0.000 0.251 30 V C 2.524 178.720 176.094 0.171 0.000 1.062 30 V CA 2.859 65.260 62.300 0.169 0.000 1.038 30 V CB -0.861 31.046 31.823 0.141 0.000 0.646 30 V HN 0.770 nan 8.190 nan 0.000 0.447 31 E N -0.147 120.112 120.200 0.099 0.000 2.110 31 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 31 E C 2.232 178.869 176.600 0.061 0.000 0.988 31 E CA 1.219 57.667 56.400 0.081 0.000 0.804 31 E CB -0.423 29.308 29.700 0.051 0.000 0.745 31 E HN 0.460 nan 8.360 nan 0.000 0.458 32 R N 0.671 121.193 120.500 0.035 0.000 2.090 32 R HA 0.083 4.423 4.340 -0.000 0.000 0.228 32 R C 2.394 178.678 176.300 -0.027 0.000 1.110 32 R CA 0.627 56.731 56.100 0.007 0.000 0.973 32 R CB -0.263 30.035 30.300 -0.003 0.000 0.869 32 R HN 0.167 nan 8.270 nan 0.000 0.440 33 I N -0.991 119.543 120.570 -0.060 0.000 2.162 33 I HA -0.190 3.980 4.170 -0.000 0.000 0.238 33 I C 0.129 176.058 176.117 -0.312 0.000 1.076 33 I CA 0.891 62.053 61.300 -0.230 0.000 1.353 33 I CB -0.110 37.666 38.000 -0.373 0.000 1.063 33 I HN 0.023 nan 8.210 nan 0.000 0.408 34 Y N 2.449 122.756 120.300 0.013 0.000 2.425 34 Y HA 0.332 4.882 4.550 -0.000 0.000 0.347 34 Y C 0.127 176.038 175.900 0.018 0.000 0.976 34 Y CA -0.396 57.714 58.100 0.015 0.000 1.190 34 Y CB 0.366 38.834 38.460 0.013 0.000 1.136 34 Y HN 0.146 nan 8.280 nan 0.000 0.517 35 Q N 2.606 122.483 119.800 0.129 0.000 2.351 35 Q HA 0.454 4.794 4.340 -0.000 0.000 0.273 35 Q C -1.015 175.040 176.000 0.093 0.000 1.077 35 Q CA -1.389 54.469 55.803 0.091 0.000 0.843 35 Q CB 3.115 31.887 28.738 0.055 0.000 1.367 35 Q HN 0.505 nan 8.270 nan 0.000 0.449 36 K N 1.820 122.264 120.400 0.074 0.000 2.394 36 K HA 0.338 4.658 4.320 -0.000 0.000 0.260 36 K C -1.085 175.555 176.600 0.066 0.000 0.967 36 K CA -0.557 55.770 56.287 0.067 0.000 0.855 36 K CB 0.932 33.462 32.500 0.050 0.000 1.101 36 K HN 0.171 nan 8.250 nan 0.000 0.433 37 K N 1.288 121.741 120.400 0.088 0.000 2.090 37 K HA 0.324 4.644 4.320 -0.000 0.000 0.249 37 K C -0.380 176.269 176.600 0.082 0.000 0.995 37 K CA -0.395 55.952 56.287 0.100 0.000 0.914 37 K CB 1.735 34.341 32.500 0.176 0.000 1.057 37 K HN 0.549 nan 8.250 nan 0.000 0.462 38 T N 1.266 115.863 114.554 0.073 0.000 2.918 38 T HA 0.112 4.462 4.350 -0.000 0.000 0.283 38 T C 1.024 175.766 174.700 0.070 0.000 1.001 38 T CA -0.297 61.833 62.100 0.050 0.000 1.041 38 T CB 0.753 69.638 68.868 0.028 0.000 1.028 38 T HN 0.456 nan 8.240 nan 0.000 0.511 39 Q N 0.989 120.815 119.800 0.044 0.000 2.077 39 Q HA -0.144 4.196 4.340 -0.000 0.000 0.206 39 Q C 2.003 178.016 176.000 0.021 0.000 0.989 39 Q CA 1.351 57.184 55.803 0.050 0.000 0.853 39 Q CB -0.262 28.490 28.738 0.023 0.000 0.907 39 Q HN 0.493 nan 8.270 nan 0.000 0.418 40 L N 1.267 122.479 121.223 -0.019 0.000 2.017 40 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 40 L C 1.867 178.697 176.870 -0.067 0.000 1.073 40 L CA 1.854 56.650 54.840 -0.073 0.000 0.745 40 L CB -0.484 41.533 42.059 -0.070 0.000 0.894 40 L HN 0.150 nan 8.230 nan 0.000 0.432 41 E N -1.279 118.911 120.200 -0.015 0.000 2.058 41 E HA -0.298 4.052 4.350 -0.000 0.000 0.194 41 E C 2.182 178.786 176.600 0.007 0.000 0.997 41 E CA 1.390 57.785 56.400 -0.009 0.000 0.801 41 E CB -0.390 29.323 29.700 0.022 0.000 0.746 41 E HN 0.612 nan 8.360 nan 0.000 0.450 42 H N 0.771 119.837 119.070 -0.007 0.000 2.319 42 H HA -0.138 4.418 4.556 -0.000 0.000 0.299 42 H C 2.166 177.535 175.328 0.069 0.000 1.092 42 H CA 1.581 57.661 56.048 0.053 0.000 1.302 42 H CB -0.079 29.744 29.762 0.102 0.000 1.373 42 H HN 0.156 nan 8.280 nan 0.000 0.497 43 I N 0.432 120.979 120.570 -0.038 0.000 2.226 43 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 43 I C 2.630 178.725 176.117 -0.035 0.000 1.100 43 I CA 0.869 62.025 61.300 -0.239 0.000 1.374 43 I CB -0.171 37.494 38.000 -0.559 0.000 1.057 43 I HN 0.188 nan 8.210 nan 0.000 0.413 44 L N -0.416 120.732 121.223 -0.124 0.000 2.109 44 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 44 L C 2.387 179.249 176.870 -0.013 0.000 1.086 44 L CA 0.747 55.528 54.840 -0.099 0.000 0.760 44 L CB -0.368 41.583 42.059 -0.180 0.000 0.910 44 L HN 0.256 nan 8.230 nan 0.000 0.437 45 L N -0.567 120.619 121.223 -0.061 0.000 2.291 45 L HA -0.015 4.325 4.340 -0.000 0.000 0.214 45 L C 0.933 177.754 176.870 -0.082 0.000 1.120 45 L CA 1.438 56.233 54.840 -0.074 0.000 0.799 45 L CB -0.131 41.866 42.059 -0.104 0.000 0.925 45 L HN 0.098 nan 8.230 nan 0.000 0.446 46 R N -1.062 119.393 120.500 -0.076 0.000 2.655 46 R HA 0.275 4.615 4.340 -0.000 0.000 0.261 46 R C -2.119 174.267 176.300 0.144 0.000 1.624 46 R CA -1.565 54.517 56.100 -0.030 0.000 1.655 46 R CB 0.201 30.394 30.300 -0.178 0.000 1.356 46 R HN 0.093 nan 8.270 nan 0.000 0.684 47 P HA -0.232 nan 4.420 nan 0.000 0.210 47 P C 1.006 178.372 177.300 0.109 0.000 1.185 47 P CA 1.535 64.760 63.100 0.209 0.000 0.924 47 P CB 0.097 31.853 31.700 0.093 0.000 0.786 48 D N -1.091 119.328 120.400 0.032 0.000 2.360 48 D HA -0.242 4.397 4.640 -0.000 0.000 0.192 48 D C 1.217 177.493 176.300 -0.040 0.000 1.025 48 D CA 2.206 56.203 54.000 -0.006 0.000 0.903 48 D CB -1.655 39.137 40.800 -0.014 0.000 0.900 48 D HN 0.205 nan 8.370 nan 0.000 0.452 49 T N -1.042 113.464 114.554 -0.080 0.000 2.995 49 T HA -0.049 4.301 4.350 -0.000 0.000 0.269 49 T C 1.231 175.660 174.700 -0.451 0.000 1.091 49 T CA 0.922 62.863 62.100 -0.264 0.000 1.128 49 T CB -0.217 68.435 68.868 -0.361 0.000 0.891 49 T HN 0.349 nan 8.240 nan 0.000 0.492 50 Y N 0.305 120.570 120.300 -0.059 0.000 2.539 50 Y HA 0.405 4.955 4.550 -0.000 0.000 0.284 50 Y C 1.907 177.749 175.900 -0.096 0.000 1.134 50 Y CA -0.257 57.763 58.100 -0.133 0.000 1.251 50 Y CB 0.230 38.613 38.460 -0.128 0.000 1.260 50 Y HN 0.160 nan 8.280 nan 0.000 0.528 51 I N -2.865 117.751 120.570 0.077 0.000 4.154 51 I HA 0.690 4.859 4.170 -0.000 0.000 0.334 51 I C 0.878 176.997 176.117 0.003 0.000 1.371 51 I CA 0.324 61.630 61.300 0.009 0.000 1.110 51 I CB 0.182 38.128 38.000 -0.090 0.000 1.085 51 I HN 0.177 nan 8.210 nan 0.000 0.398 52 G N 1.819 110.616 108.800 -0.005 0.000 2.587 52 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.212 52 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.212 52 G C -0.346 174.548 174.900 -0.009 0.000 1.327 52 G CA -0.094 45.004 45.100 -0.004 0.000 0.898 52 G HN 0.502 nan 8.290 nan 0.000 0.551 53 S N -0.765 114.924 115.700 -0.018 0.000 2.549 53 S HA 0.357 4.826 4.470 -0.000 0.000 0.286 53 S C 1.543 176.145 174.600 0.004 0.000 1.314 53 S CA 0.566 58.752 58.200 -0.024 0.000 1.062 53 S CB 0.889 64.053 63.200 -0.060 0.000 0.865 53 S HN 2.030 nan 8.310 nan 0.000 0.498 54 V N 1.363 121.295 119.914 0.030 0.000 3.376 54 V HA 0.514 4.633 4.120 -0.000 0.000 0.313 54 V C 0.299 176.446 176.094 0.088 0.000 1.393 54 V CA -0.287 62.082 62.300 0.115 0.000 1.125 54 V CB -0.585 31.278 31.823 0.067 0.000 1.037 54 V HN 0.633 nan 8.190 nan 0.000 0.440 55 E N 0.589 120.795 120.200 0.012 0.000 2.249 55 E HA 0.609 4.959 4.350 -0.000 0.000 0.263 55 E C -0.648 175.906 176.600 -0.077 0.000 0.950 55 E CA -0.882 55.508 56.400 -0.016 0.000 0.827 55 E CB 2.833 32.515 29.700 -0.030 0.000 1.220 55 E HN 0.271 nan 8.360 nan 0.000 0.411 56 L N 0.962 122.140 121.223 -0.076 0.000 2.439 56 L HA 0.241 4.581 4.340 -0.000 0.000 0.269 56 L C 0.292 177.052 176.870 -0.183 0.000 1.179 56 L CA -0.367 54.393 54.840 -0.133 0.000 0.828 56 L CB 0.566 42.584 42.059 -0.069 0.000 1.106 56 L HN 0.280 nan 8.230 nan 0.000 0.467 57 V N -1.034 118.704 119.914 -0.294 0.000 3.078 57 V HA 0.700 4.820 4.120 -0.000 0.000 0.311 57 V C -0.526 175.454 176.094 -0.191 0.000 1.138 57 V CA -0.465 61.680 62.300 -0.257 0.000 1.007 57 V CB 2.139 33.753 31.823 -0.348 0.000 1.045 57 V HN 0.666 nan 8.190 nan 0.000 0.432 58 T N 3.935 118.429 114.554 -0.099 0.000 2.890 58 T HA 0.718 5.068 4.350 -0.000 0.000 0.295 58 T C -0.747 173.940 174.700 -0.023 0.000 0.993 58 T CA -0.502 61.575 62.100 -0.037 0.000 0.979 58 T CB 1.152 69.999 68.868 -0.037 0.000 0.967 58 T HN 1.080 nan 8.240 nan 0.000 0.441 59 Q N 1.871 121.677 119.800 0.010 0.000 2.590 59 Q HA 0.538 4.878 4.340 -0.000 0.000 0.295 59 Q C -1.441 174.504 176.000 -0.092 0.000 0.973 59 Q CA -1.394 54.397 55.803 -0.020 0.000 0.768 59 Q CB 1.672 30.424 28.738 0.024 0.000 1.479 59 Q HN 0.408 nan 8.270 nan 0.000 0.419 60 Q N 1.395 121.088 119.800 -0.178 0.000 2.259 60 Q HA 0.633 4.973 4.340 -0.000 0.000 0.249 60 Q C -0.366 175.361 176.000 -0.455 0.000 0.914 60 Q CA -0.114 55.416 55.803 -0.455 0.000 0.904 60 Q CB 1.363 29.748 28.738 -0.588 0.000 1.213 60 Q HN 0.717 nan 8.270 nan 0.000 0.428 61 M N -1.251 117.967 119.600 -0.637 0.000 2.853 61 M HA 0.413 4.893 4.480 -0.000 0.000 0.273 61 M C -2.110 174.089 176.300 -0.168 0.000 1.128 61 M CA -1.011 54.145 55.300 -0.239 0.000 0.814 61 M CB 1.200 33.770 32.600 -0.049 0.000 1.667 61 M HN 0.400 nan 8.290 nan 0.000 0.519 62 W N 2.020 123.442 121.300 0.204 0.000 2.272 62 W HA 0.611 5.271 4.660 -0.000 0.000 0.318 62 W C -0.024 176.580 176.519 0.143 0.000 1.255 62 W CA 0.100 57.599 57.345 0.257 0.000 1.200 62 W CB 1.246 30.985 29.460 0.465 0.000 1.170 62 W HN 0.667 nan 8.180 nan 0.000 0.549 63 V N 0.769 120.869 119.914 0.310 0.000 3.202 63 V HA 0.536 4.656 4.120 -0.000 0.000 0.306 63 V C -2.114 174.093 176.094 0.189 0.000 1.283 63 V CA -1.454 60.971 62.300 0.208 0.000 1.065 63 V CB 2.138 34.007 31.823 0.076 0.000 1.079 63 V HN 0.383 nan 8.190 nan 0.000 0.448 64 Y N 1.463 121.797 120.300 0.057 0.000 2.575 64 Y HA 0.555 5.105 4.550 -0.000 0.000 0.326 64 Y C -0.062 175.838 175.900 -0.000 0.000 0.979 64 Y CA -0.741 57.346 58.100 -0.021 0.000 1.286 64 Y CB 0.508 38.916 38.460 -0.088 0.000 1.093 64 Y HN 0.834 nan 8.280 nan 0.000 0.501 65 D N 3.805 124.164 120.400 -0.067 0.000 2.304 65 D HA 0.165 4.805 4.640 -0.000 0.000 0.247 65 D C -0.010 176.309 176.300 0.031 0.000 1.089 65 D CA 0.094 54.093 54.000 -0.001 0.000 0.910 65 D CB 1.008 41.775 40.800 -0.055 0.000 1.199 65 D HN 0.775 nan 8.370 nan 0.000 0.426 66 E N 1.462 121.712 120.200 0.084 0.000 2.415 66 E HA 0.015 4.365 4.350 -0.000 0.000 0.260 66 E C 0.474 177.101 176.600 0.045 0.000 1.016 66 E CA -0.179 56.281 56.400 0.100 0.000 0.924 66 E CB -0.173 29.573 29.700 0.077 0.000 0.961 66 E HN 0.500 nan 8.360 nan 0.000 0.459 67 D N 0.694 121.130 120.400 0.060 0.000 2.603 67 D HA -0.192 4.448 4.640 -0.000 0.000 0.180 67 D C 1.206 177.482 176.300 -0.040 0.000 0.972 67 D CA 1.466 55.477 54.000 0.019 0.000 1.022 67 D CB -1.352 39.456 40.800 0.013 0.000 1.079 67 D HN 0.485 nan 8.370 nan 0.000 0.455 68 V N -0.435 119.416 119.914 -0.104 0.000 2.788 68 V HA 0.489 4.609 4.120 -0.000 0.000 0.241 68 V C 1.595 177.504 176.094 -0.309 0.000 1.083 68 V CA 1.636 63.841 62.300 -0.158 0.000 1.103 68 V CB 0.590 32.333 31.823 -0.133 0.000 0.800 68 V HN 0.666 nan 8.190 nan 0.000 0.476 69 G N 0.168 108.597 108.800 -0.620 0.000 2.512 69 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.210 69 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.210 69 G C -0.485 173.796 174.900 -1.032 0.000 1.295 69 G CA -0.151 44.175 45.100 -1.290 0.000 0.934 69 G HN 0.307 nan 8.290 nan 0.000 0.554 70 I N 2.556 122.645 120.570 -0.802 0.000 2.505 70 I HA 0.448 4.618 4.170 -0.000 0.000 0.287 70 I C 0.471 176.599 176.117 0.020 0.000 1.104 70 I CA 0.329 61.435 61.300 -0.324 0.000 1.387 70 I CB -0.298 37.441 38.000 -0.434 0.000 1.404 70 I HN 0.829 nan 8.210 nan 0.000 0.528 71 N N 4.694 123.490 118.700 0.159 0.000 2.416 71 N HA 0.256 4.996 4.740 -0.000 0.000 0.276 71 N C -1.617 173.859 175.510 -0.058 0.000 1.261 71 N CA -0.938 52.191 53.050 0.133 0.000 0.790 71 N CB 0.846 39.320 38.487 -0.022 0.000 1.554 71 N HN 0.329 nan 8.380 nan 0.000 0.481 72 Y N 1.273 121.194 120.300 -0.631 0.000 2.504 72 Y HA 0.439 4.989 4.550 -0.000 0.000 0.339 72 Y C -0.368 175.276 175.900 -0.427 0.000 0.974 72 Y CA -0.441 57.141 58.100 -0.862 0.000 1.232 72 Y CB 0.157 37.795 38.460 -1.370 0.000 1.108 72 Y HN 0.673 nan 8.280 nan 0.000 0.509 73 R N 2.221 122.417 120.500 -0.506 0.000 2.987 73 R HA 0.535 4.875 4.340 -0.000 0.000 0.248 73 R C -1.058 175.006 176.300 -0.394 0.000 1.264 73 R CA -1.302 54.581 56.100 -0.361 0.000 1.026 73 R CB 1.217 31.399 30.300 -0.196 0.000 1.286 73 R HN 0.459 nan 8.270 nan 0.000 0.483 74 E N 0.609 120.662 120.200 -0.245 0.000 2.343 74 E HA 0.372 4.722 4.350 -0.000 0.000 0.269 74 E C -1.146 175.385 176.600 -0.115 0.000 1.047 74 E CA -0.696 55.593 56.400 -0.185 0.000 0.874 74 E CB 1.345 30.972 29.700 -0.122 0.000 1.033 74 E HN 0.321 nan 8.360 nan 0.000 0.409 75 V N 2.622 122.501 119.914 -0.058 0.000 2.888 75 V HA 0.346 4.466 4.120 -0.000 0.000 0.309 75 V C -0.691 175.485 176.094 0.137 0.000 1.114 75 V CA -0.882 61.434 62.300 0.028 0.000 0.940 75 V CB 2.402 34.229 31.823 0.008 0.000 1.021 75 V HN 0.735 nan 8.190 nan 0.000 0.426 76 T N 5.407 120.051 114.554 0.150 0.000 2.809 76 T HA 0.826 5.176 4.350 -0.000 0.000 0.284 76 T C -0.838 173.998 174.700 0.226 0.000 0.992 76 T CA -0.262 61.913 62.100 0.124 0.000 0.957 76 T CB 0.736 69.626 68.868 0.038 0.000 0.942 76 T HN 0.720 nan 8.240 nan 0.000 0.439 77 F N 0.444 120.378 119.950 -0.027 0.000 2.773 77 F HA 0.768 5.295 4.527 -0.000 0.000 0.314 77 F C -1.957 173.830 175.800 -0.022 0.000 1.160 77 F CA -1.577 56.410 58.000 -0.022 0.000 0.920 77 F CB 0.616 39.604 39.000 -0.020 0.000 1.323 77 F HN 0.192 nan 8.300 nan 0.000 0.457 78 V N 2.611 122.442 119.914 -0.137 0.000 2.350 78 V HA 0.299 4.418 4.120 -0.000 0.000 0.276 78 V C -1.792 174.246 176.094 -0.093 0.000 1.028 78 V CA -1.552 60.616 62.300 -0.220 0.000 0.860 78 V CB 1.196 32.973 31.823 -0.076 0.000 0.990 78 V HN 0.689 nan 8.190 nan 0.000 0.453 79 P HA -0.174 nan 4.420 nan 0.000 0.216 79 P C 1.694 179.085 177.300 0.151 0.000 1.157 79 P CA 1.818 64.984 63.100 0.110 0.000 0.880 79 P CB 0.217 31.901 31.700 -0.026 0.000 0.791 80 G N -0.470 108.341 108.800 0.018 0.000 2.442 80 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.219 80 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.219 80 G C 1.473 176.260 174.900 -0.188 0.000 1.141 80 G CA 0.628 45.719 45.100 -0.014 0.000 0.763 80 G HN 0.236 nan 8.290 nan 0.000 0.554 81 L N -0.538 120.371 121.223 -0.524 0.000 2.027 81 L HA 0.037 4.377 4.340 -0.000 0.000 0.206 81 L C 2.552 179.367 176.870 -0.091 0.000 1.074 81 L CA 1.865 56.279 54.840 -0.710 0.000 0.745 81 L CB -0.740 40.846 42.059 -0.788 0.000 0.898 81 L HN 0.369 nan 8.230 nan 0.000 0.433 82 Y N 0.417 120.722 120.300 0.009 0.000 2.207 82 Y HA -0.303 4.247 4.550 -0.000 0.000 0.287 82 Y C 2.632 178.633 175.900 0.169 0.000 1.156 82 Y CA 2.377 60.563 58.100 0.142 0.000 1.182 82 Y CB -0.217 38.361 38.460 0.197 0.000 0.979 82 Y HN 0.260 nan 8.280 nan 0.000 0.521 83 K N 0.985 121.486 120.400 0.169 0.000 2.057 83 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 83 K C 2.072 178.644 176.600 -0.046 0.000 1.049 83 K CA 2.075 58.389 56.287 0.044 0.000 0.931 83 K CB -0.542 32.022 32.500 0.106 0.000 0.714 83 K HN 0.682 nan 8.250 nan 0.000 0.440 84 I N -1.515 119.058 120.570 0.004 0.000 2.493 84 I HA -0.134 4.036 4.170 -0.000 0.000 0.254 84 I C 2.137 178.240 176.117 -0.023 0.000 1.160 84 I CA 0.959 62.260 61.300 0.003 0.000 1.445 84 I CB -0.450 37.603 38.000 0.089 0.000 1.086 84 I HN 0.041 nan 8.210 nan 0.000 0.433 85 F N 2.759 122.668 119.950 -0.069 0.000 2.128 85 F HA -0.135 4.392 4.527 -0.000 0.000 0.295 85 F C 1.971 177.706 175.800 -0.107 0.000 1.100 85 F CA 1.924 59.941 58.000 0.028 0.000 1.260 85 F CB -0.522 38.501 39.000 0.039 0.000 1.009 85 F HN 0.097 nan 8.300 nan 0.000 0.476 86 D N 0.014 120.182 120.400 -0.387 0.000 2.218 86 D HA -0.168 4.472 4.640 -0.000 0.000 0.204 86 D C 1.975 178.085 176.300 -0.317 0.000 0.976 86 D CA 1.167 54.881 54.000 -0.477 0.000 0.853 86 D CB -0.085 40.399 40.800 -0.527 0.000 0.939 86 D HN 0.308 nan 8.370 nan 0.000 0.481 87 E N -0.137 119.927 120.200 -0.227 0.000 2.106 87 E HA -0.106 4.243 4.350 -0.000 0.000 0.192 87 E C 2.058 178.564 176.600 -0.156 0.000 0.984 87 E CA 0.485 56.792 56.400 -0.154 0.000 0.806 87 E CB 0.020 29.661 29.700 -0.099 0.000 0.750 87 E HN 0.441 nan 8.360 nan 0.000 0.458 88 I N 0.727 121.177 120.570 -0.200 0.000 2.584 88 I HA -0.107 4.063 4.170 -0.000 0.000 0.255 88 I C 2.473 178.488 176.117 -0.170 0.000 1.145 88 I CA 0.464 61.685 61.300 -0.131 0.000 1.462 88 I CB -1.042 36.899 38.000 -0.099 0.000 1.102 88 I HN 0.081 nan 8.210 nan 0.000 0.433 89 L N 0.332 121.357 121.223 -0.329 0.000 2.017 89 L HA -0.178 4.161 4.340 -0.000 0.000 0.208 89 L C 2.582 179.344 176.870 -0.180 0.000 1.073 89 L CA 1.239 55.896 54.840 -0.305 0.000 0.745 89 L CB -0.041 41.717 42.059 -0.501 0.000 0.894 89 L HN -0.002 nan 8.230 nan 0.000 0.432 90 V N 0.128 119.937 119.914 -0.175 0.000 2.407 90 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 90 V C 2.208 178.242 176.094 -0.100 0.000 1.055 90 V CA 1.659 63.888 62.300 -0.119 0.000 1.049 90 V CB -0.775 30.985 31.823 -0.106 0.000 0.662 90 V HN 0.499 nan 8.190 nan 0.000 0.455 91 N N 0.559 119.199 118.700 -0.099 0.000 2.104 91 N HA -0.138 4.602 4.740 -0.000 0.000 0.190 91 N C 1.897 177.365 175.510 -0.070 0.000 1.024 91 N CA 1.702 54.703 53.050 -0.081 0.000 0.853 91 N CB -0.466 37.987 38.487 -0.057 0.000 1.008 91 N HN 0.496 nan 8.380 nan 0.000 0.424 92 A N 0.792 123.572 122.820 -0.067 0.000 1.877 92 A HA 0.013 4.333 4.320 -0.000 0.000 0.216 92 A C 2.302 179.846 177.584 -0.067 0.000 1.186 92 A CA 2.005 54.005 52.037 -0.062 0.000 0.620 92 A CB -0.905 18.068 19.000 -0.046 0.000 0.822 92 A HN 0.314 nan 8.150 nan 0.000 0.443 93 A N -0.390 122.387 122.820 -0.072 0.000 2.067 93 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 93 A C 1.624 179.163 177.584 -0.074 0.000 1.158 93 A CA 1.689 53.682 52.037 -0.073 0.000 0.661 93 A CB -0.486 18.463 19.000 -0.085 0.000 0.801 93 A HN 0.450 nan 8.150 nan 0.000 0.452 94 D N -0.210 120.144 120.400 -0.077 0.000 2.219 94 D HA -0.125 4.514 4.640 -0.000 0.000 0.205 94 D C 1.627 177.884 176.300 -0.072 0.000 0.970 94 D CA 1.047 55.002 54.000 -0.076 0.000 0.851 94 D CB -0.356 40.395 40.800 -0.081 0.000 0.943 94 D HN 0.468 nan 8.370 nan 0.000 0.488 95 N N 0.628 119.285 118.700 -0.072 0.000 2.364 95 N HA -0.141 4.599 4.740 -0.000 0.000 0.183 95 N C 1.513 176.990 175.510 -0.055 0.000 1.022 95 N CA 0.665 53.675 53.050 -0.068 0.000 0.883 95 N CB 0.094 38.535 38.487 -0.076 0.000 0.965 95 N HN -0.124 nan 8.380 nan 0.000 0.438 96 K N 0.268 120.636 120.400 -0.053 0.000 2.148 96 K HA -0.018 4.302 4.320 -0.000 0.000 0.204 96 K C 0.985 177.561 176.600 -0.040 0.000 1.050 96 K CA 0.943 57.205 56.287 -0.042 0.000 0.942 96 K CB 0.026 32.498 32.500 -0.046 0.000 0.724 96 K HN 0.347 nan 8.250 nan 0.000 0.446 97 Q N -0.324 119.447 119.800 -0.050 0.000 2.444 97 Q HA -0.034 4.305 4.340 -0.000 0.000 0.206 97 Q C 1.655 177.632 176.000 -0.037 0.000 0.948 97 Q CA 0.461 56.237 55.803 -0.046 0.000 0.946 97 Q CB 0.385 29.088 28.738 -0.058 0.000 1.027 97 Q HN 0.277 nan 8.270 nan 0.000 0.513 98 R N 0.216 120.693 120.500 -0.038 0.000 2.191 98 R HA 0.021 4.361 4.340 -0.000 0.000 0.196 98 R C -0.306 175.981 176.300 -0.022 0.000 0.991 98 R CA 0.540 56.619 56.100 -0.034 0.000 1.075 98 R CB 0.712 30.984 30.300 -0.046 0.000 1.040 98 R HN -0.096 nan 8.270 nan 0.000 0.526 99 D N -0.122 120.266 120.400 -0.021 0.000 2.330 99 D HA 0.222 4.861 4.640 -0.000 0.000 0.249 99 D C -2.239 174.057 176.300 -0.006 0.000 1.306 99 D CA -2.217 51.778 54.000 -0.009 0.000 0.956 99 D CB 1.908 42.702 40.800 -0.009 0.000 1.261 99 D HN -0.116 nan 8.370 nan 0.000 0.544 100 P HA -0.144 nan 4.420 nan 0.000 0.222 100 P C 1.131 178.438 177.300 0.011 0.000 1.142 100 P CA 1.531 64.633 63.100 0.004 0.000 0.788 100 P CB 0.289 31.995 31.700 0.010 0.000 0.767 101 K N -0.666 119.743 120.400 0.015 0.000 2.432 101 K HA 0.060 4.380 4.320 -0.000 0.000 0.196 101 K C 1.013 177.631 176.600 0.031 0.000 1.038 101 K CA 0.382 56.685 56.287 0.026 0.000 0.986 101 K CB -1.276 31.242 32.500 0.030 0.000 0.782 101 K HN 0.232 nan 8.250 nan 0.000 0.485 102 M N 1.508 121.119 119.600 0.019 0.000 2.245 102 M HA -0.006 4.474 4.480 -0.000 0.000 0.335 102 M C 0.581 176.907 176.300 0.043 0.000 1.155 102 M CA 1.367 56.680 55.300 0.021 0.000 1.055 102 M CB 0.808 33.404 32.600 -0.007 0.000 1.670 102 M HN 0.298 nan 8.290 nan 0.000 0.447 103 S N 2.797 118.543 115.700 0.078 0.000 2.817 103 S HA 0.269 4.739 4.470 -0.000 0.000 0.262 103 S C -0.211 174.474 174.600 0.142 0.000 1.051 103 S CA -0.480 57.777 58.200 0.094 0.000 1.185 103 S CB 0.126 63.385 63.200 0.098 0.000 1.152 103 S HN 0.828 nan 8.310 nan 0.000 0.653 104 C N 1.528 120.944 119.300 0.194 0.000 3.170 104 C HA 0.797 5.256 4.460 -0.000 0.000 0.319 104 C C -2.213 172.976 174.990 0.333 0.000 1.260 104 C CA -0.578 58.623 59.018 0.304 0.000 1.374 104 C CB 1.012 29.026 27.740 0.456 0.000 1.739 104 C HN 0.477 nan 8.230 nan 0.000 0.479 105 I N 4.214 124.990 120.570 0.342 0.000 2.569 105 I HA 0.533 4.703 4.170 -0.000 0.000 0.290 105 I C -0.350 176.009 176.117 0.403 0.000 1.088 105 I CA -0.357 61.132 61.300 0.315 0.000 1.047 105 I CB 1.870 39.953 38.000 0.138 0.000 1.237 105 I HN 0.736 nan 8.210 nan 0.000 0.421 106 R N 4.665 125.442 120.500 0.462 0.000 2.437 106 R HA 0.762 5.101 4.340 -0.000 0.000 0.310 106 R C -1.064 175.384 176.300 0.246 0.000 0.955 106 R CA -0.803 55.491 56.100 0.323 0.000 0.851 106 R CB 2.771 33.131 30.300 0.099 0.000 1.161 106 R HN 0.293 nan 8.270 nan 0.000 0.446 107 V N 2.349 122.374 119.914 0.185 0.000 2.495 107 V HA 0.424 4.543 4.120 -0.000 0.000 0.298 107 V C -0.202 175.966 176.094 0.123 0.000 1.031 107 V CA -0.522 61.880 62.300 0.170 0.000 0.871 107 V CB 2.185 34.116 31.823 0.181 0.000 0.988 107 V HN 0.769 nan 8.190 nan 0.000 0.432 108 T N 6.118 120.741 114.554 0.115 0.000 2.841 108 T HA 0.663 5.013 4.350 -0.000 0.000 0.285 108 T C -0.508 174.212 174.700 0.033 0.000 0.991 108 T CA -0.143 61.990 62.100 0.055 0.000 0.966 108 T CB 0.973 69.855 68.868 0.022 0.000 0.962 108 T HN 0.409 nan 8.240 nan 0.000 0.438 109 I N 2.920 123.493 120.570 0.006 0.000 2.420 109 I HA 0.313 4.483 4.170 -0.000 0.000 0.282 109 I C -0.407 175.687 176.117 -0.038 0.000 1.019 109 I CA -0.570 60.708 61.300 -0.037 0.000 1.130 109 I CB 1.411 39.379 38.000 -0.053 0.000 1.262 109 I HN 0.497 nan 8.210 nan 0.000 0.454 110 D N 8.686 129.054 120.400 -0.052 0.000 2.479 110 D HA 0.274 4.914 4.640 -0.000 0.000 0.247 110 D C -1.925 174.354 176.300 -0.036 0.000 1.119 110 D CA -1.810 52.168 54.000 -0.037 0.000 0.922 110 D CB 1.906 42.686 40.800 -0.035 0.000 1.014 110 D HN 0.152 nan 8.370 nan 0.000 0.510 111 P HA -0.200 nan 4.420 nan 0.000 0.213 111 P C 1.391 178.686 177.300 -0.007 0.000 1.176 111 P CA 2.365 65.454 63.100 -0.017 0.000 0.919 111 P CB 0.292 31.986 31.700 -0.009 0.000 0.791 112 E N 0.095 120.293 120.200 -0.004 0.000 2.136 112 E HA -0.302 4.048 4.350 -0.000 0.000 0.208 112 E C 1.632 178.233 176.600 0.002 0.000 1.035 112 E CA 2.090 58.490 56.400 0.001 0.000 0.838 112 E CB -1.931 27.769 29.700 -0.000 0.000 0.748 112 E HN 0.377 nan 8.360 nan 0.000 0.459 113 N N 0.365 119.062 118.700 -0.005 0.000 2.336 113 N HA -0.004 4.736 4.740 -0.000 0.000 0.189 113 N C 0.379 175.887 175.510 -0.004 0.000 1.113 113 N CA 0.676 53.724 53.050 -0.004 0.000 0.858 113 N CB 0.343 38.824 38.487 -0.010 0.000 0.970 113 N HN 0.524 nan 8.380 nan 0.000 0.471 114 N N 0.132 118.828 118.700 -0.006 0.000 2.714 114 N HA -0.222 4.518 4.740 -0.000 0.000 0.252 114 N C -1.053 174.434 175.510 -0.038 0.000 1.014 114 N CA 0.847 53.894 53.050 -0.004 0.000 0.735 114 N CB -1.587 36.921 38.487 0.034 0.000 0.924 114 N HN 0.202 nan 8.380 nan 0.000 0.540 115 L N -0.402 120.773 121.223 -0.080 0.000 2.408 115 L HA 0.867 5.206 4.340 -0.000 0.000 0.268 115 L C -0.065 176.677 176.870 -0.213 0.000 0.986 115 L CA -0.817 53.939 54.840 -0.140 0.000 0.820 115 L CB 1.629 43.642 42.059 -0.077 0.000 1.303 115 L HN 0.146 nan 8.230 nan 0.000 0.411 116 I N 1.923 122.246 120.570 -0.410 0.000 2.730 116 I HA 0.855 5.025 4.170 -0.000 0.000 0.298 116 I C 0.115 176.073 176.117 -0.265 0.000 1.089 116 I CA -0.747 60.323 61.300 -0.383 0.000 1.041 116 I CB 2.072 39.687 38.000 -0.641 0.000 1.235 116 I HN 0.876 nan 8.210 nan 0.000 0.423 117 S N 5.266 120.964 115.700 -0.004 0.000 2.546 117 S HA 0.752 5.222 4.470 -0.000 0.000 0.272 117 S C -1.080 173.633 174.600 0.189 0.000 1.140 117 S CA -0.724 57.539 58.200 0.106 0.000 0.920 117 S CB 1.912 65.153 63.200 0.068 0.000 1.083 117 S HN 0.417 nan 8.310 nan 0.000 0.476 118 I N 2.541 123.241 120.570 0.216 0.000 2.411 118 I HA 0.413 4.583 4.170 -0.000 0.000 0.284 118 I C -1.161 175.085 176.117 0.215 0.000 1.012 118 I CA -0.360 61.060 61.300 0.200 0.000 1.119 118 I CB 1.192 39.273 38.000 0.134 0.000 1.261 118 I HN 0.809 nan 8.210 nan 0.000 0.448 119 W N 8.675 130.009 121.300 0.056 0.000 2.496 119 W HA 0.498 5.158 4.660 -0.000 0.000 0.327 119 W C -0.589 175.971 176.519 0.068 0.000 1.086 119 W CA -0.122 57.261 57.345 0.063 0.000 1.222 119 W CB 1.101 30.579 29.460 0.029 0.000 1.304 119 W HN 0.546 nan 8.180 nan 0.000 0.547 120 N N 3.936 122.294 118.700 -0.570 0.000 2.331 120 N HA 0.281 5.021 4.740 -0.000 0.000 0.280 120 N C -1.200 173.697 175.510 -1.021 0.000 1.155 120 N CA -0.701 52.042 53.050 -0.512 0.000 0.822 120 N CB 1.433 39.791 38.487 -0.215 0.000 1.619 120 N HN 0.588 nan 8.380 nan 0.000 0.476 121 N N 0.536 118.856 118.700 -0.633 0.000 2.645 121 N HA 0.655 5.395 4.740 -0.000 0.000 0.308 121 N C 0.736 176.150 175.510 -0.160 0.000 1.335 121 N CA 0.658 53.474 53.050 -0.391 0.000 0.909 121 N CB -0.524 37.952 38.487 -0.018 0.000 1.109 121 N HN 0.985 nan 8.380 nan 0.000 0.555 122 G N -2.950 105.825 108.800 -0.041 0.000 2.828 122 G HA2 0.279 4.239 3.960 -0.000 0.000 0.463 122 G HA3 0.279 4.239 3.960 -0.000 0.000 0.463 122 G C -0.217 174.664 174.900 -0.032 0.000 1.394 122 G CA 0.068 45.157 45.100 -0.019 0.000 0.862 122 G HN 1.014 nan 8.290 nan 0.000 0.540 123 K N -0.128 120.264 120.400 -0.014 0.000 2.477 123 K HA 0.508 4.827 4.320 -0.000 0.000 0.275 123 K C 1.442 178.009 176.600 -0.056 0.000 1.054 123 K CA 1.757 58.037 56.287 -0.011 0.000 1.135 123 K CB -0.284 32.216 32.500 -0.000 0.000 0.854 123 K HN 2.344 nan 8.250 nan 0.000 0.484 124 G N 0.849 109.608 108.800 -0.069 0.000 2.588 124 G HA2 0.549 4.509 3.960 -0.000 0.000 0.281 124 G HA3 0.549 4.509 3.960 -0.000 0.000 0.281 124 G C 0.087 174.925 174.900 -0.103 0.000 1.236 124 G CA -0.874 44.141 45.100 -0.142 0.000 0.969 124 G HN 0.824 nan 8.290 nan 0.000 0.504 125 I N 0.921 121.413 120.570 -0.130 0.000 2.575 125 I HA 0.152 4.322 4.170 -0.000 0.000 0.285 125 I C -1.931 174.097 176.117 -0.149 0.000 1.085 125 I CA -1.566 59.663 61.300 -0.120 0.000 1.403 125 I CB 1.521 39.457 38.000 -0.106 0.000 1.409 125 I HN 0.161 nan 8.210 nan 0.000 0.557 126 P HA -0.025 nan 4.420 nan 0.000 0.256 126 P C -0.412 176.611 177.300 -0.463 0.000 1.189 126 P CA 0.072 62.909 63.100 -0.438 0.000 0.808 126 P CB 0.063 31.487 31.700 -0.460 0.000 0.793 127 V N 6.122 125.825 119.914 -0.352 0.000 2.153 127 V HA 0.171 4.291 4.120 -0.000 0.000 0.250 127 V C 0.603 176.677 176.094 -0.032 0.000 1.334 127 V CA 0.334 62.620 62.300 -0.023 0.000 1.249 127 V CB 0.070 31.983 31.823 0.149 0.000 1.371 127 V HN 0.327 nan 8.190 nan 0.000 0.498 128 V N 3.011 122.753 119.914 -0.286 0.000 3.202 128 V HA 0.532 4.652 4.120 -0.000 0.000 0.306 128 V C -0.670 174.890 176.094 -0.892 0.000 1.283 128 V CA -0.746 61.267 62.300 -0.478 0.000 1.065 128 V CB 2.596 34.172 31.823 -0.411 0.000 1.079 128 V HN 0.727 nan 8.190 nan 0.000 0.448 129 E N 2.106 121.784 120.200 -0.870 0.000 2.283 129 E HA 0.224 4.573 4.350 -0.000 0.000 0.278 129 E C -1.014 175.431 176.600 -0.258 0.000 1.027 129 E CA -0.525 55.481 56.400 -0.657 0.000 0.843 129 E CB 0.579 30.025 29.700 -0.424 0.000 1.062 129 E HN 0.790 nan 8.360 nan 0.000 0.401 130 H N 4.826 123.769 119.070 -0.211 0.000 2.800 130 H HA 0.079 4.635 4.556 -0.000 0.000 0.291 130 H C 0.423 175.702 175.328 -0.081 0.000 1.076 130 H CA 0.426 56.400 56.048 -0.123 0.000 1.452 130 H CB 0.891 30.600 29.762 -0.089 0.000 1.461 130 H HN 0.614 nan 8.280 nan 0.000 0.488 131 K N 3.020 123.321 120.400 -0.164 0.000 2.211 131 K HA -0.073 4.247 4.320 -0.000 0.000 0.204 131 K C 1.698 178.324 176.600 0.043 0.000 1.047 131 K CA 1.170 57.420 56.287 -0.062 0.000 0.935 131 K CB 0.501 32.937 32.500 -0.106 0.000 0.728 131 K HN 0.317 nan 8.250 nan 0.000 0.452 132 V N 0.866 120.878 119.914 0.163 0.000 2.992 132 V HA -0.045 4.075 4.120 -0.000 0.000 0.250 132 V C 1.377 177.575 176.094 0.174 0.000 1.090 132 V CA 1.113 63.523 62.300 0.182 0.000 1.101 132 V CB 0.074 32.022 31.823 0.208 0.000 0.743 132 V HN 0.172 nan 8.190 nan 0.000 0.468 133 E N 0.112 120.463 120.200 0.251 0.000 2.481 133 E HA 0.194 4.544 4.350 -0.000 0.000 0.198 133 E C 1.175 177.814 176.600 0.066 0.000 1.027 133 E CA 0.580 57.002 56.400 0.036 0.000 0.900 133 E CB -0.037 29.542 29.700 -0.202 0.000 0.993 133 E HN 0.588 nan 8.360 nan 0.000 0.482 134 K N 1.371 121.834 120.400 0.105 0.000 3.540 134 K HA -0.206 4.114 4.320 -0.000 0.000 0.274 134 K C 0.309 176.961 176.600 0.085 0.000 0.890 134 K CA 1.721 58.053 56.287 0.075 0.000 0.701 134 K CB -2.536 29.998 32.500 0.058 0.000 1.523 134 K HN 0.553 nan 8.250 nan 0.000 0.450 135 M N -3.381 116.277 119.600 0.096 0.000 2.694 135 M HA 0.597 5.076 4.480 -0.000 0.000 0.276 135 M C -0.699 175.690 176.300 0.148 0.000 1.167 135 M CA -1.267 54.129 55.300 0.159 0.000 0.849 135 M CB 1.102 33.797 32.600 0.159 0.000 1.705 135 M HN 0.155 nan 8.290 nan 0.000 0.504 136 Y N 0.830 121.212 120.300 0.136 0.000 2.597 136 Y HA 0.130 4.680 4.550 -0.000 0.000 0.336 136 Y C 1.600 177.524 175.900 0.040 0.000 1.216 136 Y CA 0.142 58.314 58.100 0.120 0.000 1.463 136 Y CB 0.975 39.589 38.460 0.257 0.000 1.303 136 Y HN 0.519 nan 8.280 nan 0.000 0.576 137 V N 4.734 124.663 119.914 0.024 0.000 2.252 137 V HA -0.295 3.824 4.120 -0.000 0.000 0.249 137 V C -0.835 175.202 176.094 -0.096 0.000 1.056 137 V CA 2.060 64.334 62.300 -0.045 0.000 1.022 137 V CB -1.624 30.135 31.823 -0.106 0.000 0.641 137 V HN 0.697 nan 8.190 nan 0.000 0.445 138 P HA -0.209 nan 4.420 nan 0.000 0.214 138 P C 1.737 179.020 177.300 -0.027 0.000 1.163 138 P CA 2.302 65.195 63.100 -0.346 0.000 0.889 138 P CB -0.233 30.657 31.700 -1.351 0.000 0.790 139 A N -1.043 121.798 122.820 0.035 0.000 1.978 139 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 139 A C 2.127 179.905 177.584 0.322 0.000 1.170 139 A CA 1.563 53.918 52.037 0.529 0.000 0.636 139 A CB -1.626 17.737 19.000 0.605 0.000 0.810 139 A HN 0.180 nan 8.150 nan 0.000 0.448 140 L N 0.514 121.812 121.223 0.125 0.000 2.005 140 L HA -0.042 4.298 4.340 -0.000 0.000 0.207 140 L C 2.155 178.962 176.870 -0.104 0.000 1.072 140 L CA 2.253 57.090 54.840 -0.005 0.000 0.744 140 L CB -0.432 41.563 42.059 -0.106 0.000 0.895 140 L HN 0.573 nan 8.230 nan 0.000 0.433 141 I N -4.594 115.871 120.570 -0.174 0.000 3.428 141 I HA -0.004 4.166 4.170 -0.000 0.000 0.286 141 I C 1.131 176.945 176.117 -0.506 0.000 1.287 141 I CA 0.896 61.985 61.300 -0.350 0.000 1.396 141 I CB -0.324 37.416 38.000 -0.433 0.000 1.062 141 I HN 0.126 nan 8.210 nan 0.000 0.471 142 F N 1.374 121.192 119.950 -0.219 0.000 2.724 142 F HA 0.439 4.966 4.527 -0.000 0.000 0.306 142 F C 2.131 177.536 175.800 -0.658 0.000 1.100 142 F CA 0.407 58.205 58.000 -0.337 0.000 1.255 142 F CB 0.933 39.792 39.000 -0.234 0.000 1.072 142 F HN 0.093 nan 8.300 nan 0.000 0.589 143 G N -1.501 107.103 108.800 -0.327 0.000 2.945 143 G HA2 0.143 4.102 3.960 -0.000 0.000 0.225 143 G HA3 0.143 4.102 3.960 -0.000 0.000 0.225 143 G C 0.317 175.131 174.900 -0.143 0.000 1.046 143 G CA 0.019 44.897 45.100 -0.371 0.000 0.842 143 G HN -0.050 nan 8.290 nan 0.000 0.543 144 Q N 0.686 120.414 119.800 -0.120 0.000 2.312 144 Q HA 0.499 4.839 4.340 -0.000 0.000 0.263 144 Q C -0.449 175.462 176.000 -0.148 0.000 0.995 144 Q CA -0.486 55.258 55.803 -0.098 0.000 0.853 144 Q CB 2.653 31.349 28.738 -0.070 0.000 1.300 144 Q HN 0.164 nan 8.270 nan 0.000 0.448 145 L N 2.249 123.392 121.223 -0.135 0.000 2.452 145 L HA 0.216 4.556 4.340 -0.000 0.000 0.267 145 L C 0.885 177.637 176.870 -0.198 0.000 1.188 145 L CA -0.339 54.395 54.840 -0.176 0.000 0.821 145 L CB 0.164 42.145 42.059 -0.129 0.000 1.102 145 L HN 0.619 nan 8.230 nan 0.000 0.470 146 L N 0.482 121.523 121.223 -0.304 0.000 3.608 146 L HA -0.174 4.166 4.340 -0.000 0.000 0.422 146 L C -0.207 176.674 176.870 0.018 0.000 1.260 146 L CA 0.152 54.883 54.840 -0.181 0.000 0.889 146 L CB -2.495 39.462 42.059 -0.171 0.000 1.821 146 L HN 0.859 nan 8.230 nan 0.000 0.884 147 T N -2.904 111.573 114.554 -0.129 0.000 2.829 147 T HA 0.761 5.110 4.350 -0.000 0.000 0.280 147 T C -0.142 174.291 174.700 -0.445 0.000 0.999 147 T CA -0.185 61.789 62.100 -0.210 0.000 0.983 147 T CB 2.867 71.595 68.868 -0.234 0.000 0.968 147 T HN 0.288 nan 8.240 nan 0.000 0.446 148 S N 0.707 116.017 115.700 -0.650 0.000 2.595 148 S HA 0.535 5.005 4.470 -0.000 0.000 0.270 148 S C 0.180 174.440 174.600 -0.566 0.000 1.145 148 S CA -0.139 57.602 58.200 -0.766 0.000 0.825 148 S CB 1.136 63.560 63.200 -1.294 0.000 1.107 148 S HN 1.232 nan 8.310 nan 0.000 0.461 149 S N 1.516 116.980 115.700 -0.393 0.000 2.568 149 S HA 0.345 4.815 4.470 -0.000 0.000 0.232 149 S C -0.004 174.479 174.600 -0.195 0.000 0.975 149 S CA -0.431 57.628 58.200 -0.235 0.000 0.949 149 S CB -0.373 62.724 63.200 -0.173 0.000 0.829 149 S HN 0.565 nan 8.310 nan 0.000 0.479 150 N N 0.882 119.418 118.700 -0.274 0.000 2.416 150 N HA 0.216 4.956 4.740 -0.000 0.000 0.267 150 N C -0.855 174.663 175.510 0.014 0.000 1.294 150 N CA -0.140 52.836 53.050 -0.124 0.000 0.891 150 N CB 0.270 38.694 38.487 -0.107 0.000 1.238 150 N HN 0.316 nan 8.380 nan 0.000 0.508 151 Y N 0.374 120.649 120.300 -0.041 0.000 2.461 151 Y HA 0.206 4.756 4.550 -0.000 0.000 0.277 151 Y C 0.520 176.405 175.900 -0.024 0.000 1.182 151 Y CA -0.651 57.428 58.100 -0.035 0.000 1.276 151 Y CB 0.196 38.629 38.460 -0.045 0.000 1.087 151 Y HN -0.086 nan 8.280 nan 0.000 0.519 152 D N 0.473 120.946 120.400 0.121 0.000 2.485 152 D HA 0.094 4.734 4.640 -0.000 0.000 0.229 152 D C 0.460 176.788 176.300 0.047 0.000 1.101 152 D CA 0.038 54.078 54.000 0.066 0.000 0.906 152 D CB 0.602 41.426 40.800 0.039 0.000 1.019 152 D HN 0.102 nan 8.370 nan 0.000 0.516 153 D N 1.669 122.097 120.400 0.046 0.000 2.123 153 D HA -0.166 4.474 4.640 -0.000 0.000 0.196 153 D C 1.182 177.496 176.300 0.023 0.000 0.992 153 D CA 0.913 54.934 54.000 0.034 0.000 0.833 153 D CB 0.344 41.160 40.800 0.028 0.000 0.954 153 D HN 0.436 nan 8.370 nan 0.000 0.455 154 D N 0.495 120.907 120.400 0.020 0.000 2.149 154 D HA -0.200 4.440 4.640 -0.000 0.000 0.194 154 D C 2.146 178.454 176.300 0.014 0.000 1.001 154 D CA 2.007 56.016 54.000 0.015 0.000 0.849 154 D CB -0.475 40.333 40.800 0.013 0.000 0.939 154 D HN 0.507 nan 8.370 nan 0.000 0.449 155 E N 0.593 120.801 120.200 0.013 0.000 2.233 155 E HA -0.159 4.191 4.350 -0.000 0.000 0.199 155 E C 1.177 177.782 176.600 0.008 0.000 1.004 155 E CA 2.317 58.722 56.400 0.008 0.000 0.819 155 E CB -1.396 28.306 29.700 0.004 0.000 0.738 155 E HN 0.599 nan 8.360 nan 0.000 0.478 156 K N 0.302 120.708 120.400 0.010 0.000 4.361 156 K HA -0.176 4.144 4.320 -0.000 0.000 0.294 156 K C -0.028 176.572 176.600 -0.000 0.000 0.970 156 K CA 1.586 57.879 56.287 0.009 0.000 0.913 156 K CB -2.772 29.738 32.500 0.017 0.000 1.583 156 K HN 0.804 nan 8.250 nan 0.000 0.438 157 K N -0.496 119.898 120.400 -0.009 0.000 2.139 157 K HA 0.751 5.071 4.320 -0.000 0.000 0.243 157 K C 0.830 177.407 176.600 -0.039 0.000 0.983 157 K CA -0.465 55.807 56.287 -0.025 0.000 0.890 157 K CB 2.119 34.602 32.500 -0.029 0.000 1.090 157 K HN 0.693 nan 8.250 nan 0.000 0.445 158 V N -1.547 118.331 119.914 -0.061 0.000 2.737 158 V HA 0.188 4.308 4.120 -0.000 0.000 0.320 158 V C -0.204 175.839 176.094 -0.084 0.000 1.174 158 V CA -0.660 61.587 62.300 -0.089 0.000 1.355 158 V CB -0.504 31.239 31.823 -0.134 0.000 1.558 158 V HN 0.821 nan 8.190 nan 0.000 0.618 159 T N -2.232 112.287 114.554 -0.059 0.000 2.944 159 T HA 0.669 5.019 4.350 -0.000 0.000 0.284 159 T C 1.322 176.004 174.700 -0.029 0.000 1.010 159 T CA 0.164 62.231 62.100 -0.055 0.000 1.025 159 T CB 1.756 70.590 68.868 -0.057 0.000 1.079 159 T HN 0.396 nan 8.240 nan 0.000 0.516 160 G N -0.019 108.764 108.800 -0.029 0.000 2.408 160 G HA2 0.328 4.288 3.960 -0.000 0.000 0.215 160 G HA3 0.328 4.288 3.960 -0.000 0.000 0.215 160 G C 0.807 175.713 174.900 0.010 0.000 1.156 160 G CA 0.029 45.130 45.100 0.003 0.000 0.793 160 G HN 1.073 nan 8.290 nan 0.000 0.535 161 G N -0.875 107.908 108.800 -0.027 0.000 2.483 161 G HA2 0.436 4.396 3.960 -0.000 0.000 0.248 161 G HA3 0.436 4.396 3.960 -0.000 0.000 0.248 161 G C 0.450 175.346 174.900 -0.007 0.000 1.248 161 G CA -0.119 44.961 45.100 -0.034 0.000 0.838 161 G HN 0.397 nan 8.290 nan 0.000 0.566 162 R N 0.140 120.655 120.500 0.024 0.000 2.258 162 R HA 0.028 4.368 4.340 -0.000 0.000 0.188 162 R C 0.489 176.891 176.300 0.170 0.000 0.793 162 R CA 0.198 56.344 56.100 0.076 0.000 1.301 162 R CB -0.277 30.083 30.300 0.100 0.000 1.582 162 R HN 0.495 nan 8.270 nan 0.000 0.448 163 N N -0.312 118.489 118.700 0.168 0.000 2.197 163 N HA 0.206 4.946 4.740 -0.000 0.000 0.201 163 N C 0.533 176.184 175.510 0.236 0.000 1.148 163 N CA 0.662 53.876 53.050 0.273 0.000 0.883 163 N CB 1.680 40.334 38.487 0.278 0.000 1.012 163 N HN 0.295 nan 8.380 nan 0.000 0.507 164 G N 0.133 108.948 108.800 0.025 0.000 2.249 164 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.273 164 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.273 164 G C 0.155 174.966 174.900 -0.148 0.000 1.036 164 G CA 0.718 45.729 45.100 -0.148 0.000 0.824 164 G HN 0.484 nan 8.290 nan 0.000 0.504 165 Y N -0.919 119.369 120.300 -0.020 0.000 2.594 165 Y HA 0.268 4.818 4.550 -0.000 0.000 0.283 165 Y C 2.914 178.775 175.900 -0.066 0.000 1.140 165 Y CA 0.780 58.869 58.100 -0.018 0.000 1.261 165 Y CB -0.270 38.232 38.460 0.070 0.000 1.358 165 Y HN 0.297 nan 8.280 nan 0.000 0.513 166 G N 1.192 110.061 108.800 0.116 0.000 2.853 166 G HA2 -0.486 3.474 3.960 -0.000 0.000 0.234 166 G HA3 -0.486 3.474 3.960 -0.000 0.000 0.234 166 G C 1.812 176.686 174.900 -0.044 0.000 1.198 166 G CA 2.084 47.192 45.100 0.014 0.000 0.767 166 G HN 0.489 nan 8.290 nan 0.000 0.657 167 A N 0.006 122.769 122.820 -0.095 0.000 1.883 167 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 167 A C 2.377 179.829 177.584 -0.220 0.000 1.186 167 A CA 2.619 54.609 52.037 -0.078 0.000 0.624 167 A CB -0.424 18.490 19.000 -0.143 0.000 0.822 167 A HN 0.375 nan 8.150 nan 0.000 0.444 168 K N 0.033 120.300 120.400 -0.222 0.000 2.097 168 K HA 0.008 4.327 4.320 -0.000 0.000 0.206 168 K C 1.712 178.168 176.600 -0.239 0.000 1.049 168 K CA 1.091 57.208 56.287 -0.284 0.000 0.933 168 K CB -0.534 31.854 32.500 -0.187 0.000 0.717 168 K HN 0.540 nan 8.250 nan 0.000 0.442 169 L N -0.307 120.871 121.223 -0.075 0.000 2.093 169 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 169 L C 2.506 179.414 176.870 0.064 0.000 1.085 169 L CA 0.885 55.760 54.840 0.057 0.000 0.755 169 L CB -0.506 41.637 42.059 0.139 0.000 0.904 169 L HN 0.332 nan 8.230 nan 0.000 0.435 170 C N 0.187 119.417 119.300 -0.116 0.000 2.446 170 C HA -0.141 4.319 4.460 -0.000 0.000 0.277 170 C C 2.770 177.582 174.990 -0.297 0.000 1.275 170 C CA 1.088 60.011 59.018 -0.159 0.000 1.727 170 C CB -0.907 26.670 27.740 -0.272 0.000 2.010 170 C HN 0.576 nan 8.230 nan 0.000 0.486 171 N N 1.240 119.454 118.700 -0.810 0.000 2.039 171 N HA -0.099 4.641 4.740 -0.000 0.000 0.193 171 N C 1.625 176.900 175.510 -0.392 0.000 1.044 171 N CA 1.941 54.379 53.050 -1.019 0.000 0.847 171 N CB -0.501 37.188 38.487 -1.331 0.000 1.030 171 N HN 0.407 nan 8.380 nan 0.000 0.422 172 I N 0.049 120.401 120.570 -0.362 0.000 2.315 172 I HA -0.238 3.932 4.170 -0.000 0.000 0.251 172 I C 0.733 176.526 176.117 -0.540 0.000 1.125 172 I CA 1.090 62.134 61.300 -0.427 0.000 1.392 172 I CB -1.149 36.519 38.000 -0.553 0.000 1.065 172 I HN 0.035 nan 8.210 nan 0.000 0.424 173 F N 0.367 120.292 119.950 -0.041 0.000 2.837 173 F HA 0.258 4.785 4.527 -0.000 0.000 0.298 173 F C 0.786 176.678 175.800 0.154 0.000 1.161 173 F CA -0.054 57.970 58.000 0.040 0.000 1.353 173 F CB 0.056 39.141 39.000 0.143 0.000 0.951 173 F HN -0.218 nan 8.300 nan 0.000 0.508 174 S N -0.910 114.922 115.700 0.220 0.000 2.542 174 S HA 0.281 4.751 4.470 -0.000 0.000 0.293 174 S C 1.053 175.784 174.600 0.217 0.000 1.089 174 S CA -0.483 57.906 58.200 0.314 0.000 0.961 174 S CB 1.615 65.087 63.200 0.453 0.000 1.062 174 S HN 0.342 nan 8.310 nan 0.000 0.483 175 T N -0.504 114.180 114.554 0.217 0.000 2.942 175 T HA 0.148 4.498 4.350 -0.000 0.000 0.265 175 T C 0.512 175.323 174.700 0.184 0.000 1.062 175 T CA 0.757 62.951 62.100 0.157 0.000 1.139 175 T CB -0.039 68.907 68.868 0.130 0.000 0.883 175 T HN 0.390 nan 8.240 nan 0.000 0.468 176 K N -0.090 120.459 120.400 0.247 0.000 2.513 176 K HA 0.476 4.796 4.320 -0.000 0.000 0.251 176 K C -2.389 174.462 176.600 0.418 0.000 0.939 176 K CA -0.906 55.545 56.287 0.274 0.000 0.793 176 K CB 2.015 34.625 32.500 0.183 0.000 1.241 176 K HN 0.207 nan 8.250 nan 0.000 0.431 177 F N 2.668 122.780 119.950 0.269 0.000 2.553 177 F HA 0.366 4.893 4.527 -0.000 0.000 0.335 177 F C -1.048 174.951 175.800 0.332 0.000 1.148 177 F CA -0.214 57.967 58.000 0.301 0.000 0.963 177 F CB 1.829 40.976 39.000 0.245 0.000 1.217 177 F HN 0.307 nan 8.300 nan 0.000 0.441 178 T N 5.755 120.260 114.554 -0.082 0.000 2.794 178 T HA 0.570 4.920 4.350 -0.000 0.000 0.280 178 T C -0.897 173.656 174.700 -0.244 0.000 0.987 178 T CA -0.540 61.536 62.100 -0.041 0.000 0.993 178 T CB 1.603 70.463 68.868 -0.014 0.000 0.939 178 T HN 0.294 nan 8.240 nan 0.000 0.449 179 V N 3.579 123.470 119.914 -0.038 0.000 2.384 179 V HA 0.497 4.617 4.120 -0.000 0.000 0.287 179 V C -0.093 176.009 176.094 0.013 0.000 1.020 179 V CA -0.615 61.566 62.300 -0.199 0.000 0.850 179 V CB 1.503 33.167 31.823 -0.265 0.000 0.987 179 V HN 0.890 nan 8.190 nan 0.000 0.436 180 E N 2.881 123.033 120.200 -0.081 0.000 2.260 180 E HA 0.596 4.946 4.350 -0.000 0.000 0.266 180 E C -1.208 175.303 176.600 -0.148 0.000 0.887 180 E CA -0.308 56.092 56.400 0.000 0.000 0.777 180 E CB 1.983 31.710 29.700 0.045 0.000 1.205 180 E HN 0.640 nan 8.360 nan 0.000 0.414 181 T N 2.238 116.680 114.554 -0.187 0.000 2.916 181 T HA 0.729 5.079 4.350 -0.000 0.000 0.298 181 T C -1.569 172.821 174.700 -0.517 0.000 1.031 181 T CA -0.307 61.544 62.100 -0.415 0.000 0.993 181 T CB 1.291 69.999 68.868 -0.268 0.000 1.045 181 T HN 0.481 nan 8.240 nan 0.000 0.454 182 A N 2.746 125.030 122.820 -0.893 0.000 2.330 182 A HA 0.785 5.104 4.320 -0.000 0.000 0.327 182 A C -0.182 177.058 177.584 -0.573 0.000 1.155 182 A CA -0.688 50.762 52.037 -0.979 0.000 0.803 182 A CB 1.484 19.430 19.000 -1.757 0.000 1.208 182 A HN 0.782 nan 8.150 nan 0.000 0.477 183 S N 1.222 116.765 115.700 -0.261 0.000 2.745 183 S HA 0.507 4.977 4.470 -0.000 0.000 0.283 183 S C 1.325 176.106 174.600 0.302 0.000 1.170 183 S CA 0.319 58.553 58.200 0.057 0.000 1.119 183 S CB 0.728 63.983 63.200 0.093 0.000 1.035 183 S HN 1.349 nan 8.310 nan 0.000 0.483 184 R N 3.276 124.005 120.500 0.381 0.000 2.096 184 R HA -0.089 4.251 4.340 -0.000 0.000 0.240 184 R C 1.818 178.234 176.300 0.193 0.000 1.139 184 R CA 2.428 58.723 56.100 0.325 0.000 0.952 184 R CB -1.863 28.567 30.300 0.216 0.000 0.854 184 R HN 0.883 nan 8.270 nan 0.000 0.436 185 E N -1.274 119.016 120.200 0.151 0.000 2.187 185 E HA -0.226 4.124 4.350 -0.000 0.000 0.199 185 E C 0.856 177.406 176.600 -0.082 0.000 1.004 185 E CA 1.806 58.227 56.400 0.034 0.000 0.813 185 E CB -0.138 29.593 29.700 0.051 0.000 0.736 185 E HN 0.809 nan 8.360 nan 0.000 0.468 186 Y N -1.297 119.051 120.300 0.080 0.000 2.507 186 Y HA 0.211 4.760 4.550 -0.000 0.000 0.254 186 Y C 1.145 177.112 175.900 0.112 0.000 1.171 186 Y CA 0.634 58.782 58.100 0.080 0.000 1.238 186 Y CB 0.874 39.380 38.460 0.076 0.000 1.148 186 Y HN 0.022 nan 8.280 nan 0.000 0.525 187 K N 0.744 121.287 120.400 0.239 0.000 3.020 187 K HA -0.271 4.049 4.320 -0.000 0.000 0.266 187 K C -0.114 176.650 176.600 0.274 0.000 1.067 187 K CA 1.739 58.161 56.287 0.226 0.000 0.780 187 K CB -2.597 29.981 32.500 0.129 0.000 1.220 187 K HN 0.534 nan 8.250 nan 0.000 0.483 188 K N -1.295 119.286 120.400 0.302 0.000 2.482 188 K HA 0.757 5.077 4.320 -0.000 0.000 0.257 188 K C -0.414 176.255 176.600 0.115 0.000 0.969 188 K CA -0.830 55.597 56.287 0.234 0.000 0.842 188 K CB 1.875 34.503 32.500 0.215 0.000 1.359 188 K HN 0.352 nan 8.250 nan 0.000 0.441 189 M N 2.982 122.614 119.600 0.052 0.000 2.456 189 M HA 0.445 4.925 4.480 -0.000 0.000 0.324 189 M C -1.792 174.507 176.300 -0.002 0.000 1.124 189 M CA -0.615 54.626 55.300 -0.098 0.000 0.959 189 M CB 1.248 33.775 32.600 -0.123 0.000 1.692 189 M HN 0.708 nan 8.290 nan 0.000 0.444 190 F N 4.135 123.981 119.950 -0.174 0.000 2.522 190 F HA 0.674 5.201 4.527 -0.000 0.000 0.324 190 F C -1.192 174.525 175.800 -0.139 0.000 1.077 190 F CA -0.431 57.482 58.000 -0.145 0.000 0.944 190 F CB 1.279 40.220 39.000 -0.099 0.000 1.175 190 F HN 0.656 nan 8.300 nan 0.000 0.468 191 K N 5.060 125.082 120.400 -0.630 0.000 2.606 191 K HA 0.272 4.591 4.320 -0.000 0.000 0.259 191 K C -2.096 174.167 176.600 -0.560 0.000 1.001 191 K CA -0.530 55.560 56.287 -0.329 0.000 0.881 191 K CB 1.500 33.894 32.500 -0.178 0.000 1.288 191 K HN 0.859 nan 8.250 nan 0.000 0.452 192 Q N 2.295 121.919 119.800 -0.294 0.000 2.340 192 Q HA 0.439 4.778 4.340 -0.000 0.000 0.276 192 Q C -1.625 174.236 176.000 -0.232 0.000 1.048 192 Q CA -0.625 54.949 55.803 -0.383 0.000 0.832 192 Q CB 2.540 30.955 28.738 -0.538 0.000 1.373 192 Q HN 0.555 nan 8.270 nan 0.000 0.409 193 T N 2.658 117.035 114.554 -0.295 0.000 2.823 193 T HA 0.519 4.868 4.350 -0.000 0.000 0.279 193 T C -1.247 173.365 174.700 -0.148 0.000 0.998 193 T CA -0.437 61.618 62.100 -0.075 0.000 0.994 193 T CB 0.607 69.455 68.868 -0.033 0.000 0.960 193 T HN 0.340 nan 8.240 nan 0.000 0.448 194 W N 2.578 123.976 121.300 0.164 0.000 2.639 194 W HA 0.677 5.337 4.660 -0.000 0.000 0.347 194 W C -0.602 176.001 176.519 0.139 0.000 1.067 194 W CA -0.801 56.639 57.345 0.158 0.000 1.218 194 W CB 1.891 31.478 29.460 0.212 0.000 1.393 194 W HN 0.483 nan 8.180 nan 0.000 0.557 195 M N 1.083 120.859 119.600 0.293 0.000 2.622 195 M HA 0.215 4.695 4.480 -0.000 0.000 0.276 195 M C -0.810 175.573 176.300 0.138 0.000 1.265 195 M CA -0.559 54.856 55.300 0.191 0.000 0.850 195 M CB 1.387 34.055 32.600 0.114 0.000 1.720 195 M HN 0.260 nan 8.290 nan 0.000 0.465 196 D N 1.488 121.949 120.400 0.101 0.000 2.812 196 D HA -0.173 4.466 4.640 -0.000 0.000 0.237 196 D C -0.877 175.433 176.300 0.017 0.000 1.162 196 D CA 1.028 55.060 54.000 0.053 0.000 0.740 196 D CB -1.561 39.262 40.800 0.038 0.000 1.000 196 D HN 1.006 nan 8.370 nan 0.000 0.416 197 N N -0.470 118.228 118.700 -0.003 0.000 2.714 197 N HA -0.283 4.457 4.740 -0.000 0.000 0.253 197 N C 0.935 176.383 175.510 -0.103 0.000 1.024 197 N CA 0.982 53.967 53.050 -0.108 0.000 0.726 197 N CB -1.111 37.262 38.487 -0.191 0.000 0.908 197 N HN 0.688 nan 8.380 nan 0.000 0.542 198 M N -2.338 117.253 119.600 -0.014 0.000 2.682 198 M HA -0.259 4.221 4.480 -0.000 0.000 0.196 198 M C 1.033 177.376 176.300 0.072 0.000 0.542 198 M CA 1.354 56.675 55.300 0.035 0.000 0.593 198 M CB -1.092 31.418 32.600 -0.149 0.000 2.183 198 M HN 0.601 nan 8.290 nan 0.000 0.663 199 G N -0.097 108.740 108.800 0.061 0.000 2.492 199 G HA2 0.391 4.351 3.960 -0.000 0.000 0.214 199 G HA3 0.391 4.351 3.960 -0.000 0.000 0.214 199 G C 0.423 175.368 174.900 0.076 0.000 1.147 199 G CA 0.861 45.988 45.100 0.044 0.000 0.809 199 G HN 0.736 nan 8.290 nan 0.000 0.533 200 R N -1.099 119.465 120.500 0.107 0.000 2.836 200 R HA 0.908 5.247 4.340 -0.000 0.000 0.269 200 R C -1.171 175.182 176.300 0.088 0.000 1.010 200 R CA -0.173 55.974 56.100 0.078 0.000 0.930 200 R CB 1.172 31.495 30.300 0.039 0.000 1.218 200 R HN 1.130 nan 8.270 nan 0.000 0.473 201 A N 0.327 123.127 122.820 -0.033 0.000 2.488 201 A HA 0.800 5.120 4.320 -0.000 0.000 0.298 201 A C 0.445 177.886 177.584 -0.239 0.000 1.044 201 A CA -0.198 51.692 52.037 -0.245 0.000 0.693 201 A CB 1.505 20.153 19.000 -0.586 0.000 1.272 201 A HN 1.874 nan 8.150 nan 0.000 0.402 202 G N 0.171 108.812 108.800 -0.264 0.000 2.529 202 G HA2 0.553 4.512 3.960 -0.000 0.000 0.277 202 G HA3 0.553 4.512 3.960 -0.000 0.000 0.277 202 G C 0.322 175.072 174.900 -0.249 0.000 1.383 202 G CA 0.452 45.428 45.100 -0.208 0.000 1.050 202 G HN 1.376 nan 8.290 nan 0.000 0.526 203 E N -0.982 119.093 120.200 -0.208 0.000 2.319 203 E HA 0.509 4.859 4.350 -0.000 0.000 0.268 203 E C 0.285 176.708 176.600 -0.294 0.000 1.050 203 E CA -0.703 55.569 56.400 -0.213 0.000 0.878 203 E CB 0.864 30.470 29.700 -0.158 0.000 1.066 203 E HN 0.643 nan 8.360 nan 0.000 0.406 204 M N 2.547 121.956 119.600 -0.318 0.000 2.108 204 M HA 0.211 4.690 4.480 -0.000 0.000 0.347 204 M C -0.433 175.605 176.300 -0.437 0.000 1.326 204 M CA -0.187 54.828 55.300 -0.474 0.000 1.126 204 M CB 0.201 32.531 32.600 -0.451 0.000 1.606 204 M HN 0.651 nan 8.290 nan 0.000 0.462 205 E N 6.784 126.708 120.200 -0.461 0.000 2.081 205 E HA 0.419 4.769 4.350 -0.000 0.000 0.276 205 E C -1.411 174.982 176.600 -0.345 0.000 0.950 205 E CA -0.577 55.626 56.400 -0.329 0.000 0.776 205 E CB 1.062 30.623 29.700 -0.232 0.000 1.094 205 E HN 0.722 nan 8.360 nan 0.000 0.402 206 L N 2.849 123.904 121.223 -0.279 0.000 2.360 206 L HA 0.535 4.875 4.340 -0.000 0.000 0.271 206 L C 0.230 177.048 176.870 -0.086 0.000 1.057 206 L CA -0.711 54.008 54.840 -0.201 0.000 0.803 206 L CB 1.048 42.982 42.059 -0.207 0.000 1.207 206 L HN 0.496 nan 8.230 nan 0.000 0.445 207 K N 1.743 122.131 120.400 -0.019 0.000 2.556 207 K HA 0.470 4.790 4.320 -0.000 0.000 0.274 207 K C -2.718 173.947 176.600 0.108 0.000 0.966 207 K CA -1.796 54.515 56.287 0.039 0.000 0.865 207 K CB 2.230 34.759 32.500 0.048 0.000 1.444 207 K HN 0.189 nan 8.250 nan 0.000 0.433 208 P HA 0.216 nan 4.420 nan 0.000 0.272 208 P C -1.352 176.103 177.300 0.258 0.000 1.223 208 P CA -0.091 63.099 63.100 0.151 0.000 0.784 208 P CB 0.358 32.114 31.700 0.093 0.000 0.923 209 F N 1.708 121.697 119.950 0.064 0.000 2.703 209 F HA 0.432 4.959 4.527 -0.000 0.000 0.308 209 F C -1.299 174.543 175.800 0.070 0.000 1.126 209 F CA -0.465 57.579 58.000 0.073 0.000 0.959 209 F CB 1.608 40.658 39.000 0.084 0.000 1.297 209 F HN 0.419 nan 8.300 nan 0.000 0.441 210 N N 1.159 119.344 118.700 -0.858 0.000 2.381 210 N HA 0.260 5.000 4.740 -0.000 0.000 0.248 210 N C -0.518 174.619 175.510 -0.622 0.000 1.430 210 N CA 0.029 52.786 53.050 -0.488 0.000 0.993 210 N CB -0.057 38.316 38.487 -0.190 0.000 1.352 210 N HN 0.823 nan 8.380 nan 0.000 0.520 211 G N -0.412 107.599 108.800 -1.316 0.000 2.606 211 G HA2 0.556 4.516 3.960 -0.000 0.000 0.262 211 G HA3 0.556 4.516 3.960 -0.000 0.000 0.262 211 G C -0.519 174.399 174.900 0.029 0.000 1.394 211 G CA -0.063 44.735 45.100 -0.504 0.000 1.044 211 G HN 0.403 nan 8.290 nan 0.000 0.553 212 E N 0.770 121.115 120.200 0.242 0.000 2.217 212 E HA 0.402 4.751 4.350 -0.000 0.000 0.279 212 E C 0.078 177.001 176.600 0.538 0.000 1.068 212 E CA -0.255 56.332 56.400 0.313 0.000 0.882 212 E CB -0.308 29.539 29.700 0.245 0.000 1.039 212 E HN 0.582 nan 8.360 nan 0.000 0.418 213 D N 0.444 121.107 120.400 0.439 0.000 2.382 213 D HA 0.402 5.042 4.640 -0.000 0.000 0.240 213 D C 0.099 176.482 176.300 0.138 0.000 1.146 213 D CA 0.095 54.254 54.000 0.266 0.000 0.897 213 D CB 0.119 40.981 40.800 0.105 0.000 1.197 213 D HN 0.676 nan 8.370 nan 0.000 0.432 214 Y N -2.818 117.396 120.300 -0.143 0.000 2.670 214 Y HA 0.722 5.272 4.550 -0.000 0.000 0.334 214 Y C -1.196 174.483 175.900 -0.368 0.000 1.185 214 Y CA -1.220 56.671 58.100 -0.350 0.000 1.053 214 Y CB 1.262 39.520 38.460 -0.338 0.000 1.298 214 Y HN 0.353 nan 8.280 nan 0.000 0.459 215 T N 1.796 116.056 114.554 -0.490 0.000 2.916 215 T HA 0.529 4.878 4.350 -0.000 0.000 0.298 215 T C -1.811 172.732 174.700 -0.262 0.000 1.031 215 T CA -0.520 61.360 62.100 -0.367 0.000 0.993 215 T CB 1.169 69.890 68.868 -0.245 0.000 1.045 215 T HN 1.002 nan 8.240 nan 0.000 0.454 216 C N 5.219 124.469 119.300 -0.083 0.000 2.642 216 C HA 0.860 5.320 4.460 -0.000 0.000 0.344 216 C C -1.393 173.578 174.990 -0.031 0.000 1.110 216 C CA -0.938 58.112 59.018 0.055 0.000 1.298 216 C CB -0.972 26.972 27.740 0.339 0.000 1.827 216 C HN 0.968 nan 8.230 nan 0.000 0.467 217 I N 3.872 124.414 120.570 -0.046 0.000 2.509 217 I HA 0.839 5.009 4.170 -0.000 0.000 0.293 217 I C -0.339 175.767 176.117 -0.017 0.000 1.020 217 I CA -0.017 61.170 61.300 -0.189 0.000 1.088 217 I CB 2.339 40.123 38.000 -0.361 0.000 1.267 217 I HN 0.636 nan 8.210 nan 0.000 0.430 218 T N 7.451 121.962 114.554 -0.071 0.000 2.824 218 T HA 0.777 5.126 4.350 -0.000 0.000 0.282 218 T C -0.818 173.960 174.700 0.130 0.000 0.993 218 T CA -0.287 61.844 62.100 0.051 0.000 0.967 218 T CB 0.901 69.773 68.868 0.008 0.000 0.960 218 T HN 0.605 nan 8.240 nan 0.000 0.441 219 F N -0.122 119.845 119.950 0.027 0.000 2.645 219 F HA 0.694 5.220 4.527 -0.000 0.000 0.310 219 F C -1.154 174.753 175.800 0.177 0.000 1.102 219 F CA -1.324 56.773 58.000 0.161 0.000 0.952 219 F CB 1.683 40.898 39.000 0.359 0.000 1.326 219 F HN 0.280 nan 8.300 nan 0.000 0.456 220 Q N 2.034 122.000 119.800 0.278 0.000 2.363 220 Q HA 0.380 4.719 4.340 -0.000 0.000 0.265 220 Q C -2.851 173.338 176.000 0.316 0.000 1.032 220 Q CA -2.103 53.794 55.803 0.157 0.000 0.746 220 Q CB 2.022 30.838 28.738 0.130 0.000 1.237 220 Q HN 0.307 nan 8.270 nan 0.000 0.475 221 P HA -0.108 nan 4.420 nan 0.000 0.264 221 P C -0.412 177.116 177.300 0.381 0.000 1.193 221 P CA 0.076 63.456 63.100 0.467 0.000 0.763 221 P CB 0.462 32.404 31.700 0.403 0.000 0.810 222 D N 3.890 124.526 120.400 0.393 0.000 2.498 222 D HA 0.019 4.659 4.640 -0.000 0.000 0.229 222 D C 1.225 177.667 176.300 0.238 0.000 1.188 222 D CA 0.171 54.310 54.000 0.231 0.000 1.028 222 D CB -0.336 40.543 40.800 0.131 0.000 1.087 222 D HN 0.241 nan 8.370 nan 0.000 0.510 223 L N 1.878 123.273 121.223 0.287 0.000 2.089 223 L HA -0.281 4.059 4.340 -0.000 0.000 0.213 223 L C 2.509 179.499 176.870 0.200 0.000 1.079 223 L CA 1.507 56.541 54.840 0.322 0.000 0.758 223 L CB -0.921 41.263 42.059 0.209 0.000 0.891 223 L HN 0.369 nan 8.230 nan 0.000 0.433 224 S N -0.369 115.389 115.700 0.097 0.000 2.383 224 S HA -0.173 4.297 4.470 -0.000 0.000 0.229 224 S C 1.868 176.452 174.600 -0.026 0.000 1.030 224 S CA 0.835 59.060 58.200 0.042 0.000 1.002 224 S CB -0.287 62.930 63.200 0.028 0.000 0.829 224 S HN 0.350 nan 8.310 nan 0.000 0.467 225 K N 0.373 120.686 120.400 -0.145 0.000 2.442 225 K HA 0.096 4.416 4.320 -0.000 0.000 0.198 225 K C 0.470 176.806 176.600 -0.439 0.000 1.042 225 K CA 0.630 56.736 56.287 -0.302 0.000 0.958 225 K CB -0.357 31.915 32.500 -0.380 0.000 0.766 225 K HN 0.572 nan 8.250 nan 0.000 0.474 226 F N 0.327 120.323 119.950 0.077 0.000 2.653 226 F HA 0.201 4.728 4.527 -0.000 0.000 0.304 226 F C 0.405 176.224 175.800 0.031 0.000 1.092 226 F CA -0.624 57.401 58.000 0.041 0.000 1.279 226 F CB 0.295 39.326 39.000 0.051 0.000 1.044 226 F HN -0.188 nan 8.300 nan 0.000 0.564 227 K N 0.232 120.715 120.400 0.139 0.000 3.230 227 K HA -0.184 4.136 4.320 -0.000 0.000 0.285 227 K C -0.344 176.321 176.600 0.110 0.000 1.196 227 K CA 0.582 56.926 56.287 0.095 0.000 0.838 227 K CB -1.525 31.018 32.500 0.072 0.000 1.262 227 K HN 0.297 nan 8.250 nan 0.000 0.492 228 M N -1.272 118.418 119.600 0.149 0.000 2.644 228 M HA 0.344 4.824 4.480 -0.000 0.000 0.316 228 M C 1.587 177.949 176.300 0.103 0.000 1.200 228 M CA 0.298 55.676 55.300 0.129 0.000 0.944 228 M CB 1.703 34.401 32.600 0.163 0.000 1.691 228 M HN 0.118 nan 8.290 nan 0.000 0.471 229 Q N 0.481 120.328 119.800 0.079 0.000 2.378 229 Q HA 0.328 4.668 4.340 -0.000 0.000 0.229 229 Q C 0.490 176.527 176.000 0.062 0.000 0.882 229 Q CA 0.989 56.830 55.803 0.063 0.000 0.936 229 Q CB 0.678 29.444 28.738 0.046 0.000 1.092 229 Q HN 0.871 nan 8.270 nan 0.000 0.535 230 S N -2.081 113.658 115.700 0.064 0.000 2.643 230 S HA 0.564 5.034 4.470 -0.000 0.000 0.266 230 S C -1.423 173.206 174.600 0.048 0.000 1.130 230 S CA -0.704 57.528 58.200 0.053 0.000 0.817 230 S CB 0.169 63.391 63.200 0.037 0.000 1.107 230 S HN 0.361 nan 8.310 nan 0.000 0.471 231 L N 3.330 124.572 121.223 0.031 0.000 2.462 231 L HA 0.311 4.651 4.340 -0.000 0.000 0.283 231 L C 0.342 177.220 176.870 0.012 0.000 1.166 231 L CA 0.320 55.168 54.840 0.013 0.000 0.964 231 L CB -1.069 40.980 42.059 -0.016 0.000 1.294 231 L HN 0.799 nan 8.230 nan 0.000 0.449 232 D N 1.080 121.494 120.400 0.024 0.000 2.314 232 D HA -0.020 4.620 4.640 -0.000 0.000 0.252 232 D C 1.194 177.504 176.300 0.016 0.000 1.295 232 D CA -0.253 53.761 54.000 0.023 0.000 0.995 232 D CB 0.637 41.456 40.800 0.032 0.000 1.125 232 D HN 0.254 nan 8.370 nan 0.000 0.537 233 K N -0.663 119.747 120.400 0.018 0.000 2.026 233 K HA -0.204 4.115 4.320 -0.000 0.000 0.208 233 K C 1.269 177.878 176.600 0.016 0.000 1.048 233 K CA 1.635 57.931 56.287 0.016 0.000 0.929 233 K CB -0.233 32.275 32.500 0.013 0.000 0.713 233 K HN 0.336 nan 8.250 nan 0.000 0.439 234 D N 0.980 121.393 120.400 0.022 0.000 2.087 234 D HA -0.190 4.450 4.640 -0.000 0.000 0.192 234 D C 1.823 178.128 176.300 0.008 0.000 0.993 234 D CA 0.916 54.930 54.000 0.023 0.000 0.828 234 D CB -0.241 40.594 40.800 0.059 0.000 0.968 234 D HN 0.150 nan 8.370 nan 0.000 0.448 235 I N 0.724 121.313 120.570 0.032 0.000 2.361 235 I HA -0.164 4.005 4.170 -0.000 0.000 0.251 235 I C 2.003 178.089 176.117 -0.051 0.000 1.133 235 I CA 0.818 62.123 61.300 0.008 0.000 1.413 235 I CB -0.390 37.639 38.000 0.048 0.000 1.073 235 I HN -0.118 nan 8.210 nan 0.000 0.424 236 V N 0.953 120.844 119.914 -0.039 0.000 2.548 236 V HA -0.132 3.988 4.120 -0.000 0.000 0.249 236 V C 2.704 178.791 176.094 -0.010 0.000 1.055 236 V CA 1.322 63.588 62.300 -0.057 0.000 1.065 236 V CB -0.856 30.949 31.823 -0.029 0.000 0.681 236 V HN 0.469 nan 8.190 nan 0.000 0.462 237 A N -0.266 122.566 122.820 0.021 0.000 1.969 237 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 237 A C 2.101 179.741 177.584 0.093 0.000 1.169 237 A CA 1.757 53.839 52.037 0.075 0.000 0.635 237 A CB -0.378 18.653 19.000 0.052 0.000 0.810 237 A HN 0.447 nan 8.150 nan 0.000 0.445 238 L N -0.850 120.388 121.223 0.025 0.000 2.095 238 L HA 0.056 4.396 4.340 -0.000 0.000 0.204 238 L C 2.370 179.321 176.870 0.135 0.000 1.080 238 L CA 1.740 56.608 54.840 0.047 0.000 0.759 238 L CB -0.515 41.467 42.059 -0.128 0.000 0.914 238 L HN 0.398 nan 8.230 nan 0.000 0.439 239 M N -1.833 117.757 119.600 -0.016 0.000 2.229 239 M HA -0.154 4.325 4.480 -0.000 0.000 0.264 239 M C 2.021 178.363 176.300 0.070 0.000 1.063 239 M CA 1.228 56.416 55.300 -0.185 0.000 1.114 239 M CB -0.296 31.819 32.600 -0.808 0.000 1.387 239 M HN 0.113 nan 8.290 nan 0.000 0.420 240 V N -0.025 119.946 119.914 0.095 0.000 2.548 240 V HA -0.199 3.921 4.120 -0.000 0.000 0.249 240 V C 2.396 178.682 176.094 0.321 0.000 1.055 240 V CA 1.494 63.902 62.300 0.180 0.000 1.065 240 V CB -0.770 31.157 31.823 0.173 0.000 0.681 240 V HN 0.451 nan 8.190 nan 0.000 0.462 241 R N -0.138 120.568 120.500 0.343 0.000 2.115 241 R HA -0.094 4.246 4.340 -0.000 0.000 0.230 241 R C 2.520 179.087 176.300 0.444 0.000 1.111 241 R CA 0.855 57.211 56.100 0.427 0.000 0.976 241 R CB -0.074 30.465 30.300 0.398 0.000 0.870 241 R HN 0.317 nan 8.270 nan 0.000 0.445 242 R N 0.276 121.017 120.500 0.401 0.000 2.096 242 R HA -0.061 4.279 4.340 -0.000 0.000 0.235 242 R C 2.107 178.558 176.300 0.251 0.000 1.127 242 R CA 1.368 57.689 56.100 0.368 0.000 0.968 242 R CB -0.819 29.748 30.300 0.446 0.000 0.861 242 R HN 0.257 nan 8.270 nan 0.000 0.440 243 A N 0.119 123.089 122.820 0.250 0.000 1.883 243 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 243 A C 2.043 179.628 177.584 0.003 0.000 1.186 243 A CA 1.366 53.460 52.037 0.095 0.000 0.624 243 A CB -0.799 18.222 19.000 0.036 0.000 0.822 243 A HN 0.325 nan 8.150 nan 0.000 0.444 244 Y N 0.627 120.961 120.300 0.057 0.000 2.242 244 Y HA -0.185 4.365 4.550 -0.000 0.000 0.291 244 Y C 2.286 178.223 175.900 0.061 0.000 1.137 244 Y CA 1.463 59.618 58.100 0.091 0.000 1.181 244 Y CB -0.247 38.317 38.460 0.172 0.000 0.989 244 Y HN 0.331 nan 8.280 nan 0.000 0.527 245 D N 0.042 120.547 120.400 0.175 0.000 2.104 245 D HA -0.192 4.447 4.640 -0.000 0.000 0.194 245 D C 2.169 178.182 176.300 -0.478 0.000 0.994 245 D CA 1.331 55.144 54.000 -0.311 0.000 0.830 245 D CB -0.317 40.453 40.800 -0.049 0.000 0.959 245 D HN 0.209 nan 8.370 nan 0.000 0.452 246 I N 1.237 121.677 120.570 -0.217 0.000 2.264 246 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 246 I C 2.464 178.466 176.117 -0.193 0.000 1.111 246 I CA 0.760 61.940 61.300 -0.201 0.000 1.382 246 I CB -1.292 36.646 38.000 -0.104 0.000 1.060 246 I HN -0.103 nan 8.210 nan 0.000 0.418 247 A N 0.916 123.644 122.820 -0.154 0.000 1.902 247 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 247 A C 2.476 180.001 177.584 -0.098 0.000 1.181 247 A CA 1.880 53.847 52.037 -0.116 0.000 0.623 247 A CB -1.236 17.698 19.000 -0.110 0.000 0.818 247 A HN 0.438 nan 8.150 nan 0.000 0.443 248 G N -0.801 107.890 108.800 -0.181 0.000 2.511 248 G HA2 0.023 3.983 3.960 -0.000 0.000 0.217 248 G HA3 0.023 3.983 3.960 -0.000 0.000 0.217 248 G C 1.715 176.529 174.900 -0.143 0.000 1.133 248 G CA 1.442 46.453 45.100 -0.149 0.000 0.792 248 G HN 0.810 nan 8.290 nan 0.000 0.539 249 S N -0.131 115.344 115.700 -0.376 0.000 2.497 249 S HA 0.101 4.570 4.470 -0.000 0.000 0.218 249 S C 1.199 175.657 174.600 -0.237 0.000 1.023 249 S CA 0.604 58.577 58.200 -0.378 0.000 0.913 249 S CB -0.153 62.669 63.200 -0.629 0.000 0.800 249 S HN 0.354 nan 8.310 nan 0.000 0.505 250 T N 0.405 114.852 114.554 -0.179 0.000 2.913 250 T HA 0.677 5.027 4.350 -0.000 0.000 0.287 250 T C -0.256 174.398 174.700 -0.076 0.000 1.008 250 T CA -0.464 61.563 62.100 -0.121 0.000 1.067 250 T CB 1.128 69.938 68.868 -0.096 0.000 0.996 250 T HN 0.500 nan 8.240 nan 0.000 0.513 251 K N 1.101 121.466 120.400 -0.058 0.000 2.249 251 K HA 0.320 4.640 4.320 -0.000 0.000 0.280 251 K C 0.337 176.931 176.600 -0.010 0.000 1.033 251 K CA -0.438 55.834 56.287 -0.025 0.000 0.946 251 K CB -0.652 31.837 32.500 -0.019 0.000 1.005 251 K HN 0.840 nan 8.250 nan 0.000 0.469 252 D N 0.305 120.707 120.400 0.003 0.000 2.810 252 D HA -0.125 4.515 4.640 -0.000 0.000 0.224 252 D C -0.856 175.451 176.300 0.011 0.000 1.222 252 D CA 1.020 55.027 54.000 0.011 0.000 0.698 252 D CB -1.246 39.566 40.800 0.020 0.000 0.961 252 D HN 0.316 nan 8.370 nan 0.000 0.403 253 V N -0.120 119.793 119.914 -0.001 0.000 2.524 253 V HA 0.516 4.636 4.120 -0.000 0.000 0.297 253 V C 0.650 176.733 176.094 -0.018 0.000 1.035 253 V CA -0.717 61.587 62.300 0.007 0.000 0.867 253 V CB 1.914 33.734 31.823 -0.005 0.000 1.004 253 V HN 0.357 nan 8.190 nan 0.000 0.426 254 K N 3.113 123.513 120.400 -0.000 0.000 2.218 254 K HA 0.773 5.093 4.320 -0.000 0.000 0.276 254 K C -0.629 175.897 176.600 -0.123 0.000 1.022 254 K CA -0.281 55.941 56.287 -0.107 0.000 0.946 254 K CB 1.490 33.941 32.500 -0.082 0.000 1.000 254 K HN 0.569 nan 8.250 nan 0.000 0.468 255 V N 2.922 122.654 119.914 -0.305 0.000 2.540 255 V HA 0.656 4.776 4.120 -0.000 0.000 0.302 255 V C -1.174 174.668 176.094 -0.421 0.000 1.035 255 V CA -0.789 61.382 62.300 -0.214 0.000 0.873 255 V CB 1.093 32.808 31.823 -0.180 0.000 0.992 255 V HN 0.765 nan 8.190 nan 0.000 0.428 256 F N 4.707 124.620 119.950 -0.062 0.000 2.495 256 F HA 0.657 5.183 4.527 -0.000 0.000 0.327 256 F C -0.268 175.484 175.800 -0.079 0.000 1.103 256 F CA -0.777 57.173 58.000 -0.083 0.000 0.949 256 F CB 1.852 40.805 39.000 -0.078 0.000 1.142 256 F HN 0.286 nan 8.300 nan 0.000 0.457 257 L N 5.317 126.575 121.223 0.058 0.000 2.324 257 L HA 0.493 4.833 4.340 -0.000 0.000 0.274 257 L C -0.286 176.608 176.870 0.040 0.000 1.012 257 L CA -0.381 54.470 54.840 0.017 0.000 0.859 257 L CB 0.009 42.021 42.059 -0.077 0.000 1.224 257 L HN 0.638 nan 8.230 nan 0.000 0.429 258 N N 4.258 122.984 118.700 0.044 0.000 2.756 258 N HA -0.199 4.541 4.740 -0.000 0.000 0.248 258 N C 0.990 176.509 175.510 0.014 0.000 1.062 258 N CA 1.154 54.215 53.050 0.018 0.000 0.696 258 N CB -1.235 37.261 38.487 0.015 0.000 0.946 258 N HN 1.175 nan 8.380 nan 0.000 0.548 259 G N -1.188 107.620 108.800 0.013 0.000 2.304 259 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.252 259 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.252 259 G C 0.054 175.027 174.900 0.121 0.000 1.014 259 G CA 0.475 45.565 45.100 -0.017 0.000 0.619 259 G HN 0.531 nan 8.290 nan 0.000 0.525 260 N N 0.683 119.475 118.700 0.154 0.000 2.473 260 N HA 0.399 5.139 4.740 -0.000 0.000 0.291 260 N C -0.226 175.372 175.510 0.147 0.000 1.083 260 N CA -0.342 52.804 53.050 0.159 0.000 0.951 260 N CB 1.620 40.142 38.487 0.057 0.000 1.164 260 N HN 0.457 nan 8.380 nan 0.000 0.480 261 K N 2.777 123.183 120.400 0.010 0.000 2.285 261 K HA 0.223 4.543 4.320 -0.000 0.000 0.286 261 K C -0.195 176.205 176.600 -0.333 0.000 1.072 261 K CA -0.462 55.540 56.287 -0.475 0.000 0.913 261 K CB 0.314 32.474 32.500 -0.567 0.000 1.067 261 K HN 0.447 nan 8.250 nan 0.000 0.479 262 L N 7.105 128.079 121.223 -0.414 0.000 2.540 262 L HA 0.061 4.401 4.340 -0.000 0.000 0.276 262 L C -1.224 175.512 176.870 -0.224 0.000 1.212 262 L CA -1.255 53.357 54.840 -0.381 0.000 0.893 262 L CB 0.284 41.938 42.059 -0.674 0.000 1.138 262 L HN 0.604 nan 8.230 nan 0.000 0.491 263 P HA 0.028 nan 4.420 nan 0.000 0.269 263 P C -0.404 176.910 177.300 0.024 0.000 1.601 263 P CA 0.225 63.319 63.100 -0.009 0.000 0.831 263 P CB -0.076 31.653 31.700 0.049 0.000 1.688 264 V N 0.185 120.096 119.914 -0.004 0.000 2.409 264 V HA 0.520 4.640 4.120 -0.000 0.000 0.291 264 V C 0.584 176.684 176.094 0.009 0.000 1.020 264 V CA -0.565 61.766 62.300 0.051 0.000 0.848 264 V CB 1.476 33.385 31.823 0.145 0.000 0.990 264 V HN 0.074 nan 8.190 nan 0.000 0.430 265 K N 3.082 123.498 120.400 0.026 0.000 2.478 265 K HA 0.752 5.072 4.320 -0.000 0.000 0.236 265 K C 0.396 177.027 176.600 0.051 0.000 1.021 265 K CA 0.098 56.395 56.287 0.017 0.000 1.010 265 K CB 0.958 33.461 32.500 0.005 0.000 1.331 265 K HN 2.007 nan 8.250 nan 0.000 0.470 266 G N 0.575 109.415 108.800 0.067 0.000 2.781 266 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.683 266 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.683 266 G C 0.392 175.423 174.900 0.217 0.000 1.390 266 G CA -0.001 45.172 45.100 0.122 0.000 0.850 266 G HN 1.018 nan 8.290 nan 0.000 0.557 267 F N 2.196 122.194 119.950 0.080 0.000 2.091 267 F HA -0.029 4.497 4.527 -0.000 0.000 0.299 267 F C 3.306 179.221 175.800 0.191 0.000 1.103 267 F CA 3.818 61.904 58.000 0.142 0.000 1.228 267 F CB -0.678 38.400 39.000 0.129 0.000 0.984 267 F HN 0.950 nan 8.300 nan 0.000 0.477 268 R N 0.241 120.860 120.500 0.199 0.000 2.103 268 R HA -0.183 4.157 4.340 -0.000 0.000 0.242 268 R C 2.427 178.675 176.300 -0.087 0.000 1.142 268 R CA 2.097 58.214 56.100 0.030 0.000 0.960 268 R CB -2.248 28.053 30.300 0.003 0.000 0.858 268 R HN 0.558 nan 8.270 nan 0.000 0.439 269 S N -1.378 114.314 115.700 -0.013 0.000 2.453 269 S HA -0.107 4.363 4.470 -0.000 0.000 0.231 269 S C 2.014 176.609 174.600 -0.009 0.000 1.005 269 S CA 1.122 59.307 58.200 -0.025 0.000 0.949 269 S CB -0.500 62.708 63.200 0.014 0.000 0.774 269 S HN 0.713 nan 8.310 nan 0.000 0.510 270 Y N 2.663 122.906 120.300 -0.095 0.000 2.153 270 Y HA 0.029 4.579 4.550 -0.000 0.000 0.289 270 Y C 2.257 178.079 175.900 -0.131 0.000 1.127 270 Y CA 1.317 59.385 58.100 -0.054 0.000 1.131 270 Y CB -0.684 37.773 38.460 -0.004 0.000 0.995 270 Y HN 0.108 nan 8.280 nan 0.000 0.505 271 V N 0.997 120.655 119.914 -0.427 0.000 2.380 271 V HA -0.331 3.789 4.120 -0.000 0.000 0.251 271 V C 1.900 177.662 176.094 -0.553 0.000 1.063 271 V CA 2.225 64.069 62.300 -0.761 0.000 1.055 271 V CB -0.757 30.368 31.823 -1.163 0.000 0.657 271 V HN 0.406 nan 8.190 nan 0.000 0.455 272 D N -0.392 119.780 120.400 -0.380 0.000 2.221 272 D HA -0.164 4.476 4.640 -0.000 0.000 0.204 272 D C 2.153 178.300 176.300 -0.254 0.000 0.982 272 D CA 1.232 55.064 54.000 -0.280 0.000 0.857 272 D CB -0.239 40.450 40.800 -0.185 0.000 0.934 272 D HN 0.407 nan 8.370 nan 0.000 0.475 273 M N -0.815 118.601 119.600 -0.306 0.000 2.159 273 M HA -0.176 4.303 4.480 -0.000 0.000 0.263 273 M C 1.784 177.843 176.300 -0.400 0.000 1.063 273 M CA 1.174 56.262 55.300 -0.353 0.000 1.110 273 M CB -0.408 31.899 32.600 -0.488 0.000 1.374 273 M HN 0.075 nan 8.290 nan 0.000 0.411 274 Y N 0.271 120.329 120.300 -0.405 0.000 2.421 274 Y HA -0.058 4.492 4.550 -0.000 0.000 0.292 274 Y C 0.491 176.260 175.900 -0.220 0.000 1.136 274 Y CA 0.265 58.135 58.100 -0.384 0.000 1.255 274 Y CB -0.130 38.010 38.460 -0.533 0.000 0.991 274 Y HN 0.084 nan 8.280 nan 0.000 0.552 275 L N -0.447 120.692 121.223 -0.140 0.000 2.322 275 L HA 0.345 4.684 4.340 -0.000 0.000 0.269 275 L C 0.071 176.897 176.870 -0.073 0.000 1.012 275 L CA -1.545 53.234 54.840 -0.102 0.000 0.815 275 L CB 1.429 43.372 42.059 -0.193 0.000 1.295 275 L HN -0.150 nan 8.230 nan 0.000 0.438 288 V N 3.035 122.915 119.914 -0.057 0.000 2.656 288 V HA 0.695 4.815 4.120 -0.000 0.000 0.307 288 V C -0.162 175.905 176.094 -0.045 0.000 1.051 288 V CA -0.975 61.285 62.300 -0.067 0.000 0.893 288 V CB 1.681 33.431 31.823 -0.121 0.000 0.999 288 V HN 0.801 nan 8.190 nan 0.000 0.426 289 I N 4.519 125.069 120.570 -0.034 0.000 2.412 289 I HA 0.535 4.705 4.170 -0.000 0.000 0.296 289 I C -0.430 175.784 176.117 0.161 0.000 0.987 289 I CA -0.390 60.866 61.300 -0.072 0.000 1.180 289 I CB 1.438 39.232 38.000 -0.344 0.000 1.340 289 I HN 0.686 nan 8.210 nan 0.000 0.455 290 H N 6.193 125.347 119.070 0.141 0.000 2.865 290 H HA 0.596 5.152 4.556 -0.000 0.000 0.372 290 H C -1.726 173.850 175.328 0.412 0.000 1.173 290 H CA -0.631 55.590 56.048 0.288 0.000 1.147 290 H CB 2.669 32.503 29.762 0.122 0.000 1.805 290 H HN 0.750 nan 8.280 nan 0.000 0.553 291 E N 3.125 123.301 120.200 -0.040 0.000 2.748 291 E HA 0.036 4.386 4.350 -0.000 0.000 0.320 291 E C -1.837 174.705 176.600 -0.097 0.000 0.996 291 E CA -0.393 56.076 56.400 0.116 0.000 0.835 291 E CB 1.346 31.170 29.700 0.206 0.000 1.265 291 E HN 0.619 nan 8.360 nan 0.000 0.420 292 Q N 4.991 124.842 119.800 0.085 0.000 2.490 292 Q HA 0.218 4.557 4.340 -0.000 0.000 0.226 292 Q C 0.469 176.527 176.000 0.097 0.000 1.132 292 Q CA -0.245 55.616 55.803 0.097 0.000 0.928 292 Q CB 0.989 29.834 28.738 0.178 0.000 1.299 292 Q HN 0.616 nan 8.270 nan 0.000 0.528 293 V N 3.286 123.245 119.914 0.074 0.000 2.287 293 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 293 V C 0.645 176.817 176.094 0.130 0.000 1.053 293 V CA 2.252 64.594 62.300 0.071 0.000 1.027 293 V CB -0.898 30.948 31.823 0.038 0.000 0.646 293 V HN 0.912 nan 8.190 nan 0.000 0.447 294 N N -2.455 116.368 118.700 0.206 0.000 3.378 294 N HA 0.089 4.828 4.740 -0.000 0.000 0.294 294 N C 0.543 176.235 175.510 0.304 0.000 1.544 294 N CA -0.070 53.132 53.050 0.253 0.000 0.872 294 N CB -0.008 38.670 38.487 0.317 0.000 1.670 294 N HN 0.123 nan 8.380 nan 0.000 0.551 295 H N -0.753 118.371 119.070 0.089 0.000 2.541 295 H HA 0.119 4.675 4.556 -0.000 0.000 0.289 295 H C 0.194 175.530 175.328 0.014 0.000 1.054 295 H CA 1.249 57.325 56.048 0.048 0.000 1.250 295 H CB -0.080 29.704 29.762 0.037 0.000 1.369 295 H HN 0.605 nan 8.280 nan 0.000 0.578 296 R N -1.484 118.962 120.500 -0.091 0.000 2.509 296 R HA 0.169 4.509 4.340 -0.000 0.000 0.297 296 R C -0.856 175.194 176.300 -0.418 0.000 0.951 296 R CA -0.173 55.724 56.100 -0.339 0.000 1.103 296 R CB 0.668 30.694 30.300 -0.457 0.000 1.283 296 R HN 0.130 nan 8.270 nan 0.000 0.534 297 W N 0.686 121.951 121.300 -0.058 0.000 3.042 297 W HA 0.396 5.056 4.660 -0.000 0.000 0.337 297 W C -0.649 175.824 176.519 -0.077 0.000 1.086 297 W CA -0.497 56.811 57.345 -0.062 0.000 1.236 297 W CB 1.690 31.144 29.460 -0.010 0.000 1.381 297 W HN -0.166 nan 8.180 nan 0.000 0.472 298 E N 2.246 122.486 120.200 0.068 0.000 2.263 298 E HA 0.627 4.976 4.350 -0.000 0.000 0.268 298 E C -1.587 175.064 176.600 0.085 0.000 0.884 298 E CA -0.610 55.798 56.400 0.014 0.000 0.766 298 E CB 2.118 31.791 29.700 -0.045 0.000 1.196 298 E HN 0.237 nan 8.360 nan 0.000 0.416 299 V N 3.093 123.037 119.914 0.049 0.000 2.604 299 V HA 0.494 4.613 4.120 -0.000 0.000 0.305 299 V C -0.541 175.655 176.094 0.170 0.000 1.043 299 V CA -0.806 61.580 62.300 0.144 0.000 0.888 299 V CB 1.723 33.525 31.823 -0.037 0.000 0.995 299 V HN 0.807 nan 8.190 nan 0.000 0.429 300 C N 5.315 124.810 119.300 0.324 0.000 2.441 300 C HA 0.792 5.251 4.460 -0.000 0.000 0.318 300 C C -0.542 174.659 174.990 0.353 0.000 1.222 300 C CA -0.510 58.647 59.018 0.232 0.000 1.474 300 C CB 1.079 28.760 27.740 -0.097 0.000 2.125 300 C HN 0.789 nan 8.230 nan 0.000 0.479 301 L N 3.482 124.883 121.223 0.296 0.000 2.386 301 L HA 0.895 5.234 4.340 -0.000 0.000 0.271 301 L C -0.156 176.804 176.870 0.149 0.000 0.993 301 L CA 0.508 55.516 54.840 0.280 0.000 0.819 301 L CB 2.103 44.356 42.059 0.324 0.000 1.294 301 L HN 0.749 nan 8.230 nan 0.000 0.414 302 T N 3.320 117.983 114.554 0.182 0.000 2.787 302 T HA 0.762 5.112 4.350 -0.000 0.000 0.297 302 T C -0.558 174.271 174.700 0.214 0.000 1.221 302 T CA 0.107 62.286 62.100 0.132 0.000 1.006 302 T CB 1.109 70.006 68.868 0.048 0.000 1.328 302 T HN 0.932 nan 8.240 nan 0.000 0.509 303 M N 1.639 121.346 119.600 0.179 0.000 2.217 303 M HA 0.705 5.185 4.480 -0.000 0.000 0.354 303 M C 0.427 176.866 176.300 0.232 0.000 1.225 303 M CA -0.313 55.097 55.300 0.184 0.000 1.137 303 M CB -0.103 32.574 32.600 0.129 0.000 1.576 303 M HN 0.673 nan 8.290 nan 0.000 0.461 304 S N 0.443 116.243 115.700 0.166 0.000 2.501 304 S HA 0.578 5.048 4.470 -0.000 0.000 0.301 304 S C 0.348 174.911 174.600 -0.062 0.000 1.096 304 S CA -0.337 57.901 58.200 0.062 0.000 1.063 304 S CB 0.912 64.079 63.200 -0.056 0.000 1.042 304 S HN 0.827 nan 8.310 nan 0.000 0.494 305 E N 2.398 122.537 120.200 -0.102 0.000 2.526 305 E HA 0.199 4.549 4.350 -0.000 0.000 0.208 305 E C 0.707 177.187 176.600 -0.201 0.000 0.997 305 E CA -0.036 56.273 56.400 -0.152 0.000 0.961 305 E CB 0.487 30.131 29.700 -0.094 0.000 1.030 305 E HN 0.638 nan 8.360 nan 0.000 0.483 306 K N 1.250 121.511 120.400 -0.232 0.000 2.896 306 K HA 0.461 4.780 4.320 -0.000 0.000 0.210 306 K C 0.299 176.760 176.600 -0.231 0.000 1.116 306 K CA 0.206 56.350 56.287 -0.239 0.000 1.050 306 K CB 0.359 32.691 32.500 -0.280 0.000 0.812 306 K HN 0.234 nan 8.250 nan 0.000 0.462 307 G N 0.121 108.797 108.800 -0.208 0.000 2.757 307 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.638 307 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.638 307 G C -0.336 174.511 174.900 -0.088 0.000 1.344 307 G CA -0.396 44.626 45.100 -0.130 0.000 0.855 307 G HN 1.206 nan 8.290 nan 0.000 0.537 308 F N 1.353 121.222 119.950 -0.135 0.000 2.629 308 F HA 0.456 4.983 4.527 -0.000 0.000 0.377 308 F C 0.855 176.539 175.800 -0.193 0.000 1.101 308 F CA 0.801 58.732 58.000 -0.114 0.000 1.301 308 F CB 0.437 39.398 39.000 -0.066 0.000 1.062 308 F HN 0.579 nan 8.300 nan 0.000 0.583 309 Q N 4.191 123.353 119.800 -1.063 0.000 2.331 309 Q HA 0.401 4.741 4.340 -0.000 0.000 0.272 309 Q C -1.510 173.828 176.000 -1.102 0.000 1.062 309 Q CA -1.149 54.022 55.803 -1.053 0.000 0.806 309 Q CB 2.598 30.552 28.738 -1.306 0.000 1.312 309 Q HN 0.674 nan 8.270 nan 0.000 0.431 310 Q N 1.283 120.633 119.800 -0.750 0.000 2.340 310 Q HA 0.686 5.026 4.340 -0.000 0.000 0.276 310 Q C -1.686 174.117 176.000 -0.329 0.000 1.048 310 Q CA -0.431 55.077 55.803 -0.492 0.000 0.832 310 Q CB 1.722 30.248 28.738 -0.353 0.000 1.373 310 Q HN 0.607 nan 8.270 nan 0.000 0.409 311 I N 2.568 122.918 120.570 -0.366 0.000 2.468 311 I HA 0.697 4.867 4.170 -0.000 0.000 0.285 311 I C -0.904 175.094 176.117 -0.198 0.000 1.039 311 I CA -0.454 60.652 61.300 -0.323 0.000 1.074 311 I CB 1.976 39.662 38.000 -0.524 0.000 1.228 311 I HN 0.949 nan 8.210 nan 0.000 0.436 312 S N 5.016 120.480 115.700 -0.393 0.000 2.638 312 S HA 0.817 5.287 4.470 -0.000 0.000 0.274 312 S C -1.227 172.822 174.600 -0.918 0.000 1.157 312 S CA -0.729 57.248 58.200 -0.372 0.000 0.826 312 S CB 2.272 65.498 63.200 0.043 0.000 1.139 312 S HN 0.286 nan 8.310 nan 0.000 0.474 313 F N -0.425 119.591 119.950 0.109 0.000 2.591 313 F HA 0.653 5.180 4.527 -0.000 0.000 0.309 313 F C -0.868 174.828 175.800 -0.174 0.000 1.098 313 F CA -0.926 57.067 58.000 -0.012 0.000 0.937 313 F CB 2.394 41.354 39.000 -0.066 0.000 1.250 313 F HN 0.474 nan 8.300 nan 0.000 0.447 314 V N 3.048 122.940 119.914 -0.038 0.000 2.349 314 V HA 0.324 4.443 4.120 -0.000 0.000 0.284 314 V C -0.614 175.429 176.094 -0.085 0.000 1.014 314 V CA -1.119 61.050 62.300 -0.219 0.000 0.826 314 V CB 1.059 32.696 31.823 -0.310 0.000 1.009 314 V HN 0.847 nan 8.190 nan 0.000 0.431 315 N N 3.077 121.686 118.700 -0.151 0.000 2.740 315 N HA -0.202 4.538 4.740 -0.000 0.000 0.248 315 N C 0.784 176.259 175.510 -0.059 0.000 1.062 315 N CA 1.156 54.139 53.050 -0.111 0.000 0.704 315 N CB -1.411 37.030 38.487 -0.076 0.000 0.968 315 N HN 0.841 nan 8.380 nan 0.000 0.547 316 S N -2.411 113.262 115.700 -0.045 0.000 3.084 316 S HA -0.235 4.235 4.470 -0.000 0.000 0.277 316 S C 0.311 174.963 174.600 0.086 0.000 1.295 316 S CA 1.067 59.249 58.200 -0.030 0.000 1.170 316 S CB -1.062 62.081 63.200 -0.096 0.000 1.412 316 S HN 0.564 nan 8.310 nan 0.000 0.669 317 I N 1.721 122.366 120.570 0.126 0.000 2.428 317 I HA 0.422 4.592 4.170 -0.000 0.000 0.289 317 I C 0.737 177.017 176.117 0.271 0.000 1.019 317 I CA -0.230 61.154 61.300 0.139 0.000 1.351 317 I CB 1.250 39.271 38.000 0.035 0.000 1.412 317 I HN 0.288 nan 8.210 nan 0.000 0.513 318 A N 4.495 127.499 122.820 0.307 0.000 2.545 318 A HA 0.242 4.562 4.320 -0.000 0.000 0.297 318 A C 0.666 178.320 177.584 0.117 0.000 1.340 318 A CA -0.359 51.839 52.037 0.269 0.000 1.016 318 A CB -0.756 18.462 19.000 0.364 0.000 1.122 318 A HN 0.766 nan 8.150 nan 0.000 0.537 319 T N 0.937 115.518 114.554 0.045 0.000 3.945 319 T HA 0.199 4.549 4.350 -0.000 0.000 0.306 319 T C 1.148 175.898 174.700 0.083 0.000 1.475 319 T CA 0.053 62.235 62.100 0.137 0.000 1.177 319 T CB 0.154 69.179 68.868 0.261 0.000 1.272 319 T HN 0.417 nan 8.240 nan 0.000 0.930 320 S N 2.041 117.786 115.700 0.075 0.000 2.420 320 S HA -0.101 4.369 4.470 -0.000 0.000 0.237 320 S C 1.687 176.335 174.600 0.080 0.000 1.023 320 S CA 1.091 59.334 58.200 0.071 0.000 0.991 320 S CB -0.100 63.148 63.200 0.080 0.000 0.792 320 S HN 0.687 nan 8.310 nan 0.000 0.488 321 K N 0.505 120.967 120.400 0.103 0.000 2.397 321 K HA 0.336 4.656 4.320 -0.000 0.000 0.202 321 K C 1.059 177.729 176.600 0.117 0.000 1.022 321 K CA 0.268 56.617 56.287 0.104 0.000 1.141 321 K CB 0.657 33.220 32.500 0.105 0.000 0.857 321 K HN 0.352 nan 8.250 nan 0.000 0.514 322 G N 0.818 109.692 108.800 0.123 0.000 2.512 322 G HA2 -0.027 3.932 3.960 -0.000 0.000 0.240 322 G HA3 -0.027 3.932 3.960 -0.000 0.000 0.240 322 G C 0.074 175.085 174.900 0.186 0.000 1.246 322 G CA -0.698 44.460 45.100 0.097 0.000 0.919 322 G HN 0.614 nan 8.290 nan 0.000 0.577 323 G N -2.772 106.075 108.800 0.078 0.000 2.368 323 G HA2 0.532 4.492 3.960 -0.000 0.000 0.302 323 G HA3 0.532 4.492 3.960 -0.000 0.000 0.302 323 G C 0.446 175.442 174.900 0.159 0.000 1.329 323 G CA 0.498 45.715 45.100 0.194 0.000 0.935 323 G HN 1.099 nan 8.290 nan 0.000 0.590 324 R N 0.025 120.692 120.500 0.278 0.000 2.170 324 R HA -0.146 4.194 4.340 -0.000 0.000 0.242 324 R C 2.207 178.811 176.300 0.506 0.000 1.145 324 R CA 2.203 58.503 56.100 0.332 0.000 0.984 324 R CB -0.834 29.672 30.300 0.343 0.000 0.869 324 R HN 0.848 nan 8.270 nan 0.000 0.455 325 H N -0.434 118.863 119.070 0.379 0.000 2.389 325 H HA 0.005 4.560 4.556 -0.000 0.000 0.299 325 H C 2.005 177.591 175.328 0.430 0.000 1.081 325 H CA 1.327 57.615 56.048 0.401 0.000 1.345 325 H CB -0.919 28.871 29.762 0.047 0.000 1.393 325 H HN 0.078 nan 8.280 nan 0.000 0.520 326 V N 2.068 121.741 119.914 -0.402 0.000 2.379 326 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 326 V C 1.711 177.852 176.094 0.077 0.000 1.044 326 V CA 2.106 64.327 62.300 -0.131 0.000 1.036 326 V CB -0.273 31.435 31.823 -0.192 0.000 0.664 326 V HN 0.213 nan 8.190 nan 0.000 0.453 327 D N -0.529 119.917 120.400 0.076 0.000 2.123 327 D HA -0.229 4.411 4.640 -0.000 0.000 0.196 327 D C 1.936 178.315 176.300 0.131 0.000 0.992 327 D CA 2.131 56.177 54.000 0.077 0.000 0.833 327 D CB -0.472 40.374 40.800 0.078 0.000 0.954 327 D HN 0.677 nan 8.370 nan 0.000 0.455 328 Y N 1.613 121.966 120.300 0.090 0.000 2.207 328 Y HA -0.208 4.342 4.550 -0.000 0.000 0.287 328 Y C 2.133 178.035 175.900 0.005 0.000 1.156 328 Y CA 1.054 59.193 58.100 0.066 0.000 1.182 328 Y CB -0.263 38.314 38.460 0.195 0.000 0.979 328 Y HN -0.190 nan 8.280 nan 0.000 0.521 329 V N 0.006 119.891 119.914 -0.048 0.000 2.379 329 V HA -0.147 3.973 4.120 -0.000 0.000 0.243 329 V C 2.644 178.693 176.094 -0.075 0.000 1.035 329 V CA 1.361 63.556 62.300 -0.175 0.000 1.035 329 V CB -1.437 30.391 31.823 0.008 0.000 0.673 329 V HN 0.492 nan 8.190 nan 0.000 0.457 330 A N 0.484 123.327 122.820 0.039 0.000 1.841 330 A HA -0.280 4.040 4.320 -0.000 0.000 0.216 330 A C 1.976 179.559 177.584 -0.001 0.000 1.199 330 A CA 2.201 54.285 52.037 0.078 0.000 0.621 330 A CB -0.923 18.151 19.000 0.123 0.000 0.835 330 A HN 0.513 nan 8.150 nan 0.000 0.445 331 D N -0.773 119.602 120.400 -0.042 0.000 2.149 331 D HA -0.252 4.388 4.640 -0.000 0.000 0.194 331 D C 2.025 178.289 176.300 -0.061 0.000 1.001 331 D CA 1.825 55.793 54.000 -0.054 0.000 0.849 331 D CB -0.534 40.240 40.800 -0.043 0.000 0.939 331 D HN 0.788 nan 8.370 nan 0.000 0.449 332 Q N 0.065 119.796 119.800 -0.114 0.000 2.226 332 Q HA -0.125 4.215 4.340 -0.000 0.000 0.204 332 Q C 2.068 178.033 176.000 -0.059 0.000 0.975 332 Q CA 0.931 56.654 55.803 -0.133 0.000 0.866 332 Q CB -0.047 28.521 28.738 -0.283 0.000 0.915 332 Q HN 0.345 nan 8.270 nan 0.000 0.440 333 I N -0.398 120.164 120.570 -0.014 0.000 2.494 333 I HA -0.160 4.009 4.170 -0.000 0.000 0.250 333 I C 2.134 178.278 176.117 0.046 0.000 1.112 333 I CA 0.296 61.632 61.300 0.059 0.000 1.438 333 I CB -0.008 38.072 38.000 0.134 0.000 1.111 333 I HN 0.036 nan 8.210 nan 0.000 0.431 334 V N 0.817 120.748 119.914 0.028 0.000 2.324 334 V HA -0.322 3.798 4.120 -0.000 0.000 0.250 334 V C 2.520 178.615 176.094 0.002 0.000 1.060 334 V CA 2.528 64.837 62.300 0.014 0.000 1.042 334 V CB -1.148 30.668 31.823 -0.011 0.000 0.650 334 V HN 0.467 nan 8.190 nan 0.000 0.450 335 T N -0.083 114.467 114.554 -0.007 0.000 2.708 335 T HA -0.205 4.145 4.350 -0.000 0.000 0.266 335 T C 2.272 176.971 174.700 -0.001 0.000 1.037 335 T CA 2.320 64.415 62.100 -0.009 0.000 1.146 335 T CB -0.408 68.449 68.868 -0.018 0.000 0.865 335 T HN 0.679 nan 8.240 nan 0.000 0.435 336 K N 0.919 121.323 120.400 0.007 0.000 2.283 336 K HA 0.321 4.641 4.320 -0.000 0.000 0.202 336 K C 2.338 178.946 176.600 0.013 0.000 1.048 336 K CA 1.422 57.717 56.287 0.014 0.000 0.948 336 K CB -1.679 30.838 32.500 0.028 0.000 0.742 336 K HN 0.488 nan 8.250 nan 0.000 0.458 337 L N -0.288 120.943 121.223 0.013 0.000 2.127 337 L HA 0.181 4.521 4.340 -0.000 0.000 0.203 337 L C 2.785 179.652 176.870 -0.005 0.000 1.080 337 L CA 1.624 56.467 54.840 0.005 0.000 0.768 337 L CB -1.118 40.946 42.059 0.008 0.000 0.924 337 L HN 0.271 nan 8.230 nan 0.000 0.444 338 V N 0.139 120.050 119.914 -0.005 0.000 2.469 338 V HA -0.330 3.790 4.120 -0.000 0.000 0.251 338 V C 2.449 178.542 176.094 -0.003 0.000 1.064 338 V CA 2.239 64.536 62.300 -0.006 0.000 1.066 338 V CB -0.805 31.014 31.823 -0.006 0.000 0.667 338 V HN 0.729 nan 8.190 nan 0.000 0.461 339 D N 0.417 120.816 120.400 -0.001 0.000 2.092 339 D HA -0.156 4.483 4.640 -0.000 0.000 0.193 339 D C 2.010 178.312 176.300 0.002 0.000 0.994 339 D CA 1.875 55.876 54.000 0.001 0.000 0.828 339 D CB -0.271 40.530 40.800 0.003 0.000 0.963 339 D HN 0.451 nan 8.370 nan 0.000 0.450 340 V N -1.423 118.492 119.914 0.001 0.000 3.305 340 V HA -0.061 4.059 4.120 -0.000 0.000 0.269 340 V C 2.094 178.189 176.094 0.001 0.000 1.157 340 V CA 0.587 62.888 62.300 0.002 0.000 1.157 340 V CB -0.590 31.233 31.823 0.001 0.000 0.772 340 V HN 0.012 nan 8.190 nan 0.000 0.498 341 V N 0.499 120.413 119.914 -0.001 0.000 2.407 341 V HA -0.078 4.042 4.120 -0.000 0.000 0.245 341 V C 3.149 179.246 176.094 0.005 0.000 1.041 341 V CA 2.321 64.621 62.300 0.001 0.000 1.040 341 V CB -0.675 31.146 31.823 -0.004 0.000 0.671 341 V HN 0.668 nan 8.190 nan 0.000 0.455 342 K N 0.708 121.111 120.400 0.004 0.000 1.987 342 K HA -0.296 4.023 4.320 -0.000 0.000 0.216 342 K C 2.387 178.991 176.600 0.006 0.000 1.051 342 K CA 2.921 59.211 56.287 0.005 0.000 0.942 342 K CB -1.509 30.993 32.500 0.004 0.000 0.722 342 K HN 0.540 nan 8.250 nan 0.000 0.444 343 K N 0.141 120.544 120.400 0.005 0.000 2.071 343 K HA -0.093 4.227 4.320 -0.000 0.000 0.217 343 K C 1.995 178.599 176.600 0.007 0.000 1.054 343 K CA 2.930 59.220 56.287 0.006 0.000 0.937 343 K CB -1.563 30.940 32.500 0.005 0.000 0.719 343 K HN 1.108 nan 8.250 nan 0.000 0.454 353 A N -0.043 122.784 122.820 0.012 0.000 1.807 353 A HA 0.560 4.879 4.320 -0.000 0.000 0.178 353 A C 2.014 179.595 177.584 -0.004 0.000 2.008 353 A CA 1.553 53.590 52.037 -0.001 0.000 1.178 353 A CB -0.655 18.342 19.000 -0.004 0.000 0.966 353 A HN 2.235 nan 8.150 nan 0.000 0.653 354 H N -1.067 117.999 119.070 -0.007 0.000 2.543 354 H HA 0.190 4.746 4.556 -0.000 0.000 0.286 354 H C 2.176 177.511 175.328 0.013 0.000 1.037 354 H CA 2.692 58.729 56.048 -0.020 0.000 1.250 354 H CB -0.998 28.750 29.762 -0.024 0.000 1.373 354 H HN 0.833 nan 8.280 nan 0.000 0.580 355 Q N 0.240 120.063 119.800 0.037 0.000 2.123 355 Q HA 0.059 4.398 4.340 -0.000 0.000 0.199 355 Q C 2.786 178.862 176.000 0.126 0.000 0.966 355 Q CA 1.378 57.234 55.803 0.088 0.000 0.845 355 Q CB -0.692 28.098 28.738 0.087 0.000 0.907 355 Q HN 0.689 nan 8.270 nan 0.000 0.439 356 V N 1.085 121.019 119.914 0.034 0.000 2.307 356 V HA -0.267 3.853 4.120 -0.000 0.000 0.245 356 V C 2.516 178.671 176.094 0.102 0.000 1.045 356 V CA 2.135 64.434 62.300 -0.000 0.000 1.024 356 V CB -0.494 31.317 31.823 -0.019 0.000 0.651 356 V HN 0.678 nan 8.190 nan 0.000 0.449 357 K N 0.219 120.659 120.400 0.066 0.000 2.211 357 K HA -0.181 4.139 4.320 -0.000 0.000 0.204 357 K C 1.645 178.367 176.600 0.203 0.000 1.047 357 K CA 1.310 57.636 56.287 0.065 0.000 0.935 357 K CB -0.143 32.274 32.500 -0.139 0.000 0.728 357 K HN 0.431 nan 8.250 nan 0.000 0.452 358 N N 0.098 118.912 118.700 0.190 0.000 2.461 358 N HA -0.057 4.682 4.740 -0.000 0.000 0.188 358 N C 0.231 175.810 175.510 0.115 0.000 1.134 358 N CA 0.671 53.823 53.050 0.169 0.000 0.878 358 N CB 0.211 38.740 38.487 0.070 0.000 0.972 358 N HN 0.321 nan 8.380 nan 0.000 0.456 359 H N -0.944 118.162 119.070 0.061 0.000 2.652 359 H HA 0.323 4.879 4.556 -0.000 0.000 0.274 359 H C 0.154 175.536 175.328 0.089 0.000 1.021 359 H CA -0.009 56.060 56.048 0.036 0.000 1.187 359 H CB 0.436 30.210 29.762 0.020 0.000 1.505 359 H HN 0.036 nan 8.280 nan 0.000 0.530 360 M N 0.347 120.107 119.600 0.266 0.000 2.233 360 M HA 0.126 4.606 4.480 -0.000 0.000 0.355 360 M C -0.897 175.505 176.300 0.171 0.000 1.191 360 M CA -0.320 55.138 55.300 0.263 0.000 1.101 360 M CB 1.453 34.261 32.600 0.347 0.000 1.592 360 M HN 0.213 nan 8.290 nan 0.000 0.461 361 W N 6.625 127.908 121.300 -0.029 0.000 2.391 361 W HA 0.589 5.248 4.660 -0.000 0.000 0.312 361 W C -2.099 174.359 176.519 -0.102 0.000 1.003 361 W CA -1.306 55.932 57.345 -0.177 0.000 1.375 361 W CB 0.565 29.976 29.460 -0.082 0.000 1.253 361 W HN 0.575 nan 8.180 nan 0.000 0.416 362 I N 5.717 126.376 120.570 0.148 0.000 2.562 362 I HA 0.532 4.702 4.170 -0.000 0.000 0.301 362 I C -1.433 174.640 176.117 -0.073 0.000 1.003 362 I CA -0.876 60.514 61.300 0.150 0.000 1.127 362 I CB 1.516 39.638 38.000 0.205 0.000 1.304 362 I HN 0.066 nan 8.210 nan 0.000 0.446 363 F N 5.907 125.929 119.950 0.119 0.000 2.493 363 F HA 0.558 5.085 4.527 -0.000 0.000 0.329 363 F C -0.508 175.539 175.800 0.411 0.000 1.126 363 F CA -0.731 57.395 58.000 0.210 0.000 0.937 363 F CB 1.890 40.925 39.000 0.058 0.000 1.146 363 F HN -0.054 nan 8.300 nan 0.000 0.442 364 V N 2.751 122.978 119.914 0.522 0.000 2.525 364 V HA 0.415 4.535 4.120 -0.000 0.000 0.299 364 V C -1.006 175.141 176.094 0.089 0.000 1.034 364 V CA -0.851 61.645 62.300 0.327 0.000 0.863 364 V CB 1.973 33.972 31.823 0.293 0.000 0.999 364 V HN 0.675 nan 8.190 nan 0.000 0.423 365 N N 3.207 121.702 118.700 -0.341 0.000 2.446 365 N HA 0.786 5.526 4.740 -0.000 0.000 0.265 365 N C -0.656 174.584 175.510 -0.449 0.000 0.975 365 N CA -0.010 52.732 53.050 -0.513 0.000 0.928 365 N CB 1.799 39.579 38.487 -1.178 0.000 1.160 365 N HN 0.982 nan 8.380 nan 0.000 0.495 366 A N 3.044 125.568 122.820 -0.493 0.000 2.498 366 A HA 0.682 5.002 4.320 -0.000 0.000 0.298 366 A C -1.440 175.716 177.584 -0.714 0.000 1.075 366 A CA -0.642 50.855 52.037 -0.901 0.000 0.714 366 A CB 1.105 19.220 19.000 -1.473 0.000 1.299 366 A HN 0.593 nan 8.150 nan 0.000 0.407 367 L N 2.233 122.984 121.223 -0.786 0.000 2.294 367 L HA 0.497 4.837 4.340 -0.000 0.000 0.283 367 L C -1.249 175.326 176.870 -0.492 0.000 1.015 367 L CA -0.371 54.161 54.840 -0.512 0.000 0.831 367 L CB 1.103 42.913 42.059 -0.416 0.000 1.217 367 L HN 0.571 nan 8.230 nan 0.000 0.420 368 I N 2.196 122.530 120.570 -0.394 0.000 2.693 368 I HA 0.282 4.452 4.170 -0.000 0.000 0.303 368 I C 0.143 176.166 176.117 -0.156 0.000 1.025 368 I CA -0.414 60.705 61.300 -0.302 0.000 1.086 368 I CB 1.965 39.712 38.000 -0.422 0.000 1.268 368 I HN 0.460 nan 8.210 nan 0.000 0.440 369 E N 4.291 124.452 120.200 -0.065 0.000 2.249 369 E HA 0.269 4.618 4.350 -0.000 0.000 0.280 369 E C -0.682 175.908 176.600 -0.017 0.000 1.016 369 E CA -0.566 55.818 56.400 -0.028 0.000 0.830 369 E CB 0.327 30.034 29.700 0.010 0.000 1.081 369 E HN 0.429 nan 8.360 nan 0.000 0.395 370 N N 1.788 120.481 118.700 -0.013 0.000 2.689 370 N HA -0.129 4.611 4.740 -0.000 0.000 0.263 370 N C -2.418 173.078 175.510 -0.025 0.000 0.987 370 N CA 0.498 53.549 53.050 0.002 0.000 0.782 370 N CB -1.463 37.034 38.487 0.016 0.000 0.903 370 N HN 0.452 nan 8.380 nan 0.000 0.547 371 P HA 0.090 nan 4.420 nan 0.000 0.269 371 P C 0.169 177.305 177.300 -0.272 0.000 1.215 371 P CA 0.206 63.177 63.100 -0.214 0.000 0.780 371 P CB 1.093 32.618 31.700 -0.292 0.000 0.898 372 T N 1.414 115.705 114.554 -0.437 0.000 2.887 372 T HA 0.679 5.029 4.350 -0.000 0.000 0.288 372 T C -1.387 172.946 174.700 -0.611 0.000 1.021 372 T CA -0.473 61.435 62.100 -0.319 0.000 1.000 372 T CB 0.173 68.977 68.868 -0.106 0.000 1.034 372 T HN 0.159 nan 8.240 nan 0.000 0.467 373 F N 2.223 122.198 119.950 0.042 0.000 2.576 373 F HA 0.353 4.880 4.527 -0.000 0.000 0.313 373 F C 1.057 176.884 175.800 0.045 0.000 1.078 373 F CA -1.012 57.017 58.000 0.048 0.000 0.921 373 F CB 1.822 40.849 39.000 0.045 0.000 1.232 373 F HN 0.604 nan 8.300 nan 0.000 0.459 374 D N -0.685 119.847 120.400 0.221 0.000 2.348 374 D HA 0.211 4.851 4.640 -0.000 0.000 0.211 374 D C 0.561 176.933 176.300 0.121 0.000 0.998 374 D CA 0.655 54.736 54.000 0.135 0.000 0.873 374 D CB -0.114 40.746 40.800 0.100 0.000 0.925 374 D HN 0.565 nan 8.370 nan 0.000 0.524 375 S N -0.309 115.480 115.700 0.148 0.000 2.810 375 S HA 0.444 4.914 4.470 -0.000 0.000 0.315 375 S C 0.273 174.910 174.600 0.061 0.000 1.138 375 S CA -0.758 57.496 58.200 0.089 0.000 0.889 375 S CB 0.914 64.160 63.200 0.078 0.000 1.236 375 S HN -0.094 nan 8.310 nan 0.000 0.548 376 Q N 1.457 121.275 119.800 0.030 0.000 2.247 376 Q HA 0.169 4.508 4.340 -0.000 0.000 0.234 376 Q C 0.290 176.303 176.000 0.021 0.000 0.899 376 Q CA 0.645 56.454 55.803 0.011 0.000 0.951 376 Q CB -0.279 28.459 28.738 -0.000 0.000 1.057 376 Q HN 0.885 nan 8.270 nan 0.000 0.444 377 T N -7.227 107.333 114.554 0.010 0.000 3.259 377 T HA 0.129 4.478 4.350 -0.000 0.000 0.287 377 T C 0.842 175.503 174.700 -0.064 0.000 0.874 377 T CA 0.201 62.316 62.100 0.026 0.000 0.878 377 T CB -0.074 68.828 68.868 0.057 0.000 1.223 377 T HN 0.188 nan 8.240 nan 0.000 0.630 378 K N 1.389 121.684 120.400 -0.174 0.000 3.071 378 K HA -0.299 4.021 4.320 -0.000 0.000 0.262 378 K C 0.591 177.146 176.600 -0.074 0.000 0.977 378 K CA 1.829 57.782 56.287 -0.556 0.000 0.721 378 K CB -3.066 28.556 32.500 -1.463 0.000 1.293 378 K HN 0.841 nan 8.250 nan 0.000 0.475 379 E N -1.238 119.028 120.200 0.110 0.000 2.385 379 E HA 0.036 4.386 4.350 -0.000 0.000 0.194 379 E C 0.550 177.289 176.600 0.231 0.000 1.013 379 E CA 0.588 57.077 56.400 0.148 0.000 0.866 379 E CB 0.226 29.987 29.700 0.102 0.000 0.832 379 E HN 0.696 nan 8.360 nan 0.000 0.500 380 N N 0.592 119.480 118.700 0.312 0.000 2.540 380 N HA 0.089 4.828 4.740 -0.000 0.000 0.275 380 N C -1.198 174.493 175.510 0.302 0.000 1.053 380 N CA -0.282 52.937 53.050 0.282 0.000 0.876 380 N CB 0.818 39.416 38.487 0.186 0.000 1.284 380 N HN -0.140 nan 8.380 nan 0.000 0.518 381 M N 3.693 123.427 119.600 0.224 0.000 2.193 381 M HA 0.138 4.618 4.480 -0.000 0.000 0.342 381 M C 0.589 176.878 176.300 -0.018 0.000 1.413 381 M CA 0.221 55.433 55.300 -0.147 0.000 1.191 381 M CB 0.003 32.435 32.600 -0.281 0.000 1.633 381 M HN 0.735 nan 8.290 nan 0.000 0.458 382 T N 2.684 117.187 114.554 -0.085 0.000 3.188 382 T HA 0.163 4.513 4.350 -0.000 0.000 0.250 382 T C 0.440 175.149 174.700 0.017 0.000 1.077 382 T CA -0.381 61.722 62.100 0.006 0.000 0.967 382 T CB -0.218 68.659 68.868 0.014 0.000 1.006 382 T HN 0.528 nan 8.240 nan 0.000 0.552 383 L N 2.276 123.511 121.223 0.020 0.000 2.436 383 L HA 0.417 4.757 4.340 -0.000 0.000 0.265 383 L C -0.107 176.857 176.870 0.157 0.000 1.168 383 L CA -0.157 54.733 54.840 0.083 0.000 0.815 383 L CB 0.924 43.044 42.059 0.102 0.000 1.109 383 L HN 0.187 nan 8.230 nan 0.000 0.462 384 Q N 4.890 124.688 119.800 -0.002 0.000 2.354 384 Q HA 0.262 4.601 4.340 -0.000 0.000 0.244 384 Q C -1.837 173.753 176.000 -0.683 0.000 0.969 384 Q CA -1.157 54.526 55.803 -0.198 0.000 0.885 384 Q CB -0.019 28.614 28.738 -0.174 0.000 1.241 384 Q HN 0.428 nan 8.270 nan 0.000 0.461 385 P HA -0.191 nan 4.420 nan 0.000 0.220 385 P C 0.914 177.544 177.300 -1.116 0.000 1.148 385 P CA 1.885 63.650 63.100 -2.224 0.000 0.803 385 P CB 0.107 30.968 31.700 -1.399 0.000 0.782 386 K N -0.340 119.710 120.400 -0.582 0.000 2.147 386 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 386 K C 1.923 178.406 176.600 -0.195 0.000 1.049 386 K CA 2.090 58.196 56.287 -0.301 0.000 0.936 386 K CB -1.638 30.745 32.500 -0.194 0.000 0.722 386 K HN 0.183 nan 8.250 nan 0.000 0.446 387 S N -0.150 115.441 115.700 -0.182 0.000 2.557 387 S HA 0.239 4.709 4.470 -0.000 0.000 0.223 387 S C 1.222 175.902 174.600 0.134 0.000 0.969 387 S CA -0.444 57.743 58.200 -0.021 0.000 0.927 387 S CB -0.157 63.040 63.200 -0.004 0.000 0.806 387 S HN 0.414 nan 8.310 nan 0.000 0.489 388 F N 2.212 122.143 119.950 -0.033 0.000 2.161 388 F HA 0.024 4.551 4.527 -0.000 0.000 0.300 388 F C 2.369 178.188 175.800 0.032 0.000 1.089 388 F CA 0.988 58.995 58.000 0.012 0.000 1.282 388 F CB -1.230 37.812 39.000 0.070 0.000 1.010 388 F HN 0.420 nan 8.300 nan 0.000 0.485 389 G N -0.884 108.050 108.800 0.224 0.000 2.195 389 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.224 389 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.224 389 G C 0.311 175.317 174.900 0.177 0.000 0.990 389 G CA 0.475 45.664 45.100 0.147 0.000 0.639 389 G HN 0.803 nan 8.290 nan 0.000 0.514 390 S N -1.355 114.501 115.700 0.260 0.000 2.643 390 S HA 0.858 5.327 4.470 -0.000 0.000 0.270 390 S C -0.518 174.245 174.600 0.272 0.000 1.166 390 S CA 0.659 59.031 58.200 0.287 0.000 0.815 390 S CB 2.006 65.440 63.200 0.389 0.000 1.139 390 S HN 1.773 nan 8.310 nan 0.000 0.472 391 T N -2.500 112.162 114.554 0.181 0.000 2.926 391 T HA 0.738 5.087 4.350 -0.000 0.000 0.289 391 T C -0.544 174.072 174.700 -0.141 0.000 1.054 391 T CA -0.776 61.358 62.100 0.056 0.000 1.015 391 T CB 1.436 70.339 68.868 0.058 0.000 1.167 391 T HN 1.483 nan 8.240 nan 0.000 0.526 392 C N 2.141 121.328 119.300 -0.188 0.000 3.493 392 C HA 0.738 5.197 4.460 -0.000 0.000 0.228 392 C C 0.220 174.996 174.990 -0.356 0.000 1.227 392 C CA 0.196 58.917 59.018 -0.495 0.000 1.291 392 C CB -1.001 25.952 27.740 -1.312 0.000 1.820 392 C HN 1.216 nan 8.230 nan 0.000 0.547 393 Q N 3.819 123.500 119.800 -0.198 0.000 2.349 393 Q HA 0.631 4.971 4.340 -0.000 0.000 0.254 393 Q C -0.294 175.605 176.000 -0.168 0.000 0.980 393 Q CA -0.243 55.451 55.803 -0.182 0.000 0.924 393 Q CB 0.667 29.353 28.738 -0.088 0.000 1.209 393 Q HN 0.748 nan 8.270 nan 0.000 0.445 394 L N 2.097 123.186 121.223 -0.224 0.000 2.516 394 L HA 0.166 4.506 4.340 -0.000 0.000 0.288 394 L C 1.350 178.182 176.870 -0.063 0.000 1.246 394 L CA 0.612 55.316 54.840 -0.226 0.000 0.844 394 L CB 0.760 42.626 42.059 -0.322 0.000 1.106 394 L HN 0.873 nan 8.230 nan 0.000 0.509 395 S N 0.544 116.249 115.700 0.010 0.000 2.585 395 S HA 0.154 4.624 4.470 -0.000 0.000 0.273 395 S C 0.875 175.547 174.600 0.121 0.000 1.339 395 S CA -0.579 57.666 58.200 0.076 0.000 1.028 395 S CB 0.514 63.779 63.200 0.108 0.000 0.906 395 S HN 0.620 nan 8.310 nan 0.000 0.528 396 E N 0.689 120.937 120.200 0.080 0.000 2.209 396 E HA -0.156 4.194 4.350 -0.000 0.000 0.196 396 E C 1.816 178.468 176.600 0.087 0.000 0.993 396 E CA 0.818 57.261 56.400 0.072 0.000 0.819 396 E CB -0.013 29.714 29.700 0.046 0.000 0.745 396 E HN 0.598 nan 8.360 nan 0.000 0.477 397 K N 0.297 120.758 120.400 0.102 0.000 2.228 397 K HA -0.110 4.210 4.320 -0.000 0.000 0.202 397 K C 1.742 178.410 176.600 0.114 0.000 1.051 397 K CA 0.637 56.979 56.287 0.091 0.000 0.960 397 K CB -0.066 32.488 32.500 0.089 0.000 0.743 397 K HN 0.137 nan 8.250 nan 0.000 0.458 398 F N 1.639 121.605 119.950 0.027 0.000 2.149 398 F HA -0.053 4.474 4.527 -0.000 0.000 0.294 398 F C 2.119 177.934 175.800 0.025 0.000 1.095 398 F CA 0.925 58.944 58.000 0.032 0.000 1.276 398 F CB -0.278 38.740 39.000 0.030 0.000 1.023 398 F HN -0.069 nan 8.300 nan 0.000 0.480 399 I N 1.016 121.746 120.570 0.267 0.000 2.163 399 I HA -0.317 3.853 4.170 -0.000 0.000 0.243 399 I C 2.513 178.634 176.117 0.007 0.000 1.085 399 I CA 2.101 63.486 61.300 0.142 0.000 1.347 399 I CB -0.842 37.234 38.000 0.126 0.000 1.044 399 I HN 0.224 nan 8.210 nan 0.000 0.408 400 K N 1.167 121.574 120.400 0.011 0.000 2.034 400 K HA -0.225 4.095 4.320 -0.000 0.000 0.214 400 K C 2.192 178.759 176.600 -0.055 0.000 1.051 400 K CA 2.109 58.389 56.287 -0.012 0.000 0.931 400 K CB -1.708 30.793 32.500 0.002 0.000 0.715 400 K HN 0.706 nan 8.250 nan 0.000 0.446 401 A N 0.711 123.466 122.820 -0.107 0.000 1.972 401 A HA 0.296 4.616 4.320 -0.000 0.000 0.219 401 A C 2.784 180.257 177.584 -0.184 0.000 1.169 401 A CA 1.992 53.938 52.037 -0.152 0.000 0.635 401 A CB -0.781 18.093 19.000 -0.210 0.000 0.810 401 A HN 1.017 nan 8.150 nan 0.000 0.446 402 A N 0.241 122.916 122.820 -0.242 0.000 1.902 402 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 402 A C 2.011 179.555 177.584 -0.068 0.000 1.181 402 A CA 1.516 53.447 52.037 -0.178 0.000 0.623 402 A CB -0.640 18.289 19.000 -0.119 0.000 0.818 402 A HN 0.512 nan 8.150 nan 0.000 0.443 403 I N -0.377 120.165 120.570 -0.046 0.000 2.700 403 I HA -0.173 3.997 4.170 -0.000 0.000 0.261 403 I C 2.304 178.408 176.117 -0.021 0.000 1.219 403 I CA 0.979 62.267 61.300 -0.021 0.000 1.463 403 I CB -0.328 37.665 38.000 -0.012 0.000 1.092 403 I HN 0.417 nan 8.210 nan 0.000 0.452 404 G N 0.371 109.150 108.800 -0.035 0.000 2.719 404 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.211 404 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.211 404 G C 0.924 175.812 174.900 -0.020 0.000 1.140 404 G CA 0.247 45.332 45.100 -0.025 0.000 0.790 404 G HN 0.510 nan 8.290 nan 0.000 0.529 405 C N 0.058 119.341 119.300 -0.027 0.000 2.713 405 C HA 0.613 5.073 4.460 -0.000 0.000 0.330 405 C C 1.668 176.667 174.990 0.015 0.000 1.416 405 C CA -0.460 58.552 59.018 -0.010 0.000 2.351 405 C CB 0.042 27.774 27.740 -0.013 0.000 2.388 405 C HN 0.309 nan 8.230 nan 0.000 0.729 406 G N 0.383 109.201 108.800 0.031 0.000 2.789 406 G HA2 0.385 4.345 3.960 -0.000 0.000 0.281 406 G HA3 0.385 4.345 3.960 -0.000 0.000 0.281 406 G C -0.097 174.845 174.900 0.070 0.000 0.708 406 G CA 0.396 45.525 45.100 0.048 0.000 2.067 406 G HN 0.883 nan 8.290 nan 0.000 0.554 407 I N 1.725 122.326 120.570 0.052 0.000 3.493 407 I HA 0.091 4.260 4.170 -0.000 0.000 0.262 407 I C 2.265 178.372 176.117 -0.017 0.000 1.085 407 I CA 0.925 62.252 61.300 0.046 0.000 1.692 407 I CB 0.158 38.181 38.000 0.039 0.000 1.712 407 I HN 0.173 nan 8.210 nan 0.000 0.412 408 V N 0.225 120.128 119.914 -0.019 0.000 2.358 408 V HA -0.009 4.111 4.120 -0.000 0.000 0.246 408 V C 2.371 178.464 176.094 -0.001 0.000 1.047 408 V CA 2.110 64.391 62.300 -0.031 0.000 1.035 408 V CB -2.405 29.409 31.823 -0.014 0.000 0.658 408 V HN 0.490 nan 8.190 nan 0.000 0.452 409 E N 0.620 120.833 120.200 0.021 0.000 2.455 409 E HA -0.061 4.288 4.350 -0.000 0.000 0.202 409 E C 2.059 178.700 176.600 0.068 0.000 1.045 409 E CA 1.841 58.266 56.400 0.042 0.000 0.872 409 E CB -1.079 28.644 29.700 0.039 0.000 0.792 409 E HN 1.024 nan 8.360 nan 0.000 0.542 410 S N -0.567 115.175 115.700 0.070 0.000 2.499 410 S HA 0.383 4.853 4.470 -0.000 0.000 0.225 410 S C 2.106 176.798 174.600 0.153 0.000 1.050 410 S CA 0.616 58.892 58.200 0.125 0.000 0.928 410 S CB 0.088 63.387 63.200 0.166 0.000 0.803 410 S HN 0.381 nan 8.310 nan 0.000 0.506 411 I N 1.478 122.062 120.570 0.023 0.000 2.277 411 I HA -0.112 4.058 4.170 -0.000 0.000 0.243 411 I C 3.013 179.211 176.117 0.135 0.000 1.094 411 I CA 1.148 62.459 61.300 0.019 0.000 1.393 411 I CB -0.480 37.424 38.000 -0.160 0.000 1.078 411 I HN 0.380 nan 8.210 nan 0.000 0.417 412 L N 0.773 122.046 121.223 0.082 0.000 2.093 412 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 412 L C 2.597 179.540 176.870 0.121 0.000 1.085 412 L CA 2.728 57.619 54.840 0.085 0.000 0.755 412 L CB -2.668 39.422 42.059 0.052 0.000 0.904 412 L HN 0.519 nan 8.230 nan 0.000 0.435 413 N N -1.368 117.419 118.700 0.145 0.000 2.120 413 N HA -0.310 4.430 4.740 -0.000 0.000 0.188 413 N C 2.080 177.736 175.510 0.242 0.000 1.024 413 N CA 1.550 54.702 53.050 0.169 0.000 0.852 413 N CB -0.867 37.720 38.487 0.165 0.000 1.003 413 N HN 0.855 nan 8.380 nan 0.000 0.424 414 W N 0.993 122.336 121.300 0.072 0.000 2.436 414 W HA -0.002 4.658 4.660 -0.000 0.000 0.284 414 W C 2.258 178.858 176.519 0.134 0.000 1.225 414 W CA 1.738 59.129 57.345 0.075 0.000 1.271 414 W CB -0.176 29.307 29.460 0.038 0.000 1.114 414 W HN 0.369 nan 8.180 nan 0.000 0.559 415 V N 1.744 121.771 119.914 0.189 0.000 2.343 415 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 415 V C 2.321 178.422 176.094 0.012 0.000 1.051 415 V CA 4.218 66.566 62.300 0.080 0.000 1.036 415 V CB -1.622 30.260 31.823 0.097 0.000 0.654 415 V HN 0.087 nan 8.190 nan 0.000 0.451 416 K N -0.230 120.197 120.400 0.046 0.000 1.991 416 K HA -0.239 4.081 4.320 -0.000 0.000 0.212 416 K C 2.192 178.786 176.600 -0.009 0.000 1.049 416 K CA 1.757 58.057 56.287 0.022 0.000 0.932 416 K CB -1.305 31.224 32.500 0.050 0.000 0.717 416 K HN 0.847 nan 8.250 nan 0.000 0.441 417 F N 2.337 122.181 119.950 -0.177 0.000 2.045 417 F HA -0.276 4.251 4.527 -0.000 0.000 0.297 417 F C 2.769 178.368 175.800 -0.336 0.000 1.114 417 F CA 4.024 61.864 58.000 -0.268 0.000 1.207 417 F CB -0.782 37.986 39.000 -0.387 0.000 0.964 417 F HN 0.346 nan 8.300 nan 0.000 0.486 418 K N 0.305 120.651 120.400 -0.090 0.000 2.211 418 K HA 0.071 4.391 4.320 -0.000 0.000 0.204 418 K C 2.213 178.706 176.600 -0.178 0.000 1.047 418 K CA 1.540 57.727 56.287 -0.167 0.000 0.935 418 K CB -1.801 30.593 32.500 -0.177 0.000 0.728 418 K HN 0.642 nan 8.250 nan 0.000 0.452 419 A N 0.246 122.981 122.820 -0.142 0.000 1.873 419 A HA 0.115 4.434 4.320 -0.000 0.000 0.215 419 A C 2.428 179.927 177.584 -0.141 0.000 1.186 419 A CA 1.914 53.886 52.037 -0.109 0.000 0.616 419 A CB -0.714 18.245 19.000 -0.069 0.000 0.823 419 A HN 0.817 nan 8.150 nan 0.000 0.442 420 Q N -0.168 119.517 119.800 -0.191 0.000 2.292 420 Q HA 0.522 4.862 4.340 -0.000 0.000 0.247 420 Q C -0.243 175.598 176.000 -0.265 0.000 0.911 420 Q CA 0.460 56.144 55.803 -0.199 0.000 0.948 420 Q CB -1.046 27.578 28.738 -0.189 0.000 1.093 420 Q HN 0.426 nan 8.270 nan 0.000 0.428 421 V N 0.002 119.765 119.914 -0.251 0.000 2.588 421 V HA 0.828 4.948 4.120 -0.000 0.000 0.304 421 V C 0.064 176.071 176.094 -0.145 0.000 1.042 421 V CA -0.452 61.698 62.300 -0.250 0.000 0.877 421 V CB 1.186 32.815 31.823 -0.325 0.000 0.996 421 V HN 0.710 nan 8.190 nan 0.000 0.425 422 Q N 2.884 122.614 119.800 -0.117 0.000 2.257 422 Q HA 0.849 5.189 4.340 -0.000 0.000 0.262 422 Q C -1.254 174.711 176.000 -0.057 0.000 0.997 422 Q CA -0.740 55.018 55.803 -0.074 0.000 0.873 422 Q CB 2.042 30.742 28.738 -0.063 0.000 1.312 422 Q HN 0.671 nan 8.270 nan 0.000 0.450 423 L N 3.020 124.221 121.223 -0.038 0.000 2.337 423 L HA 0.381 4.721 4.340 -0.000 0.000 0.269 423 L C -0.735 176.125 176.870 -0.017 0.000 1.018 423 L CA -0.434 54.393 54.840 -0.023 0.000 0.876 423 L CB 0.934 42.985 42.059 -0.013 0.000 1.236 423 L HN 0.854 nan 8.230 nan 0.000 0.436 424 N N 0.000 118.690 118.700 -0.016 0.000 1.763 424 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 424 N CA 0.000 53.043 53.050 -0.012 0.000 0.885 424 N CB 0.000 38.478 38.487 -0.015 0.000 1.341 424 N HN 0.000 nan 8.380 nan 0.000 0.667