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 2biw_1_A DATA FIRST_RESID 12 DATA SEQUENCE QRSYSPQDWL RGYQSQPQEW DYWVEDVEGS IPPDLQGTLY RNGPGLLEIG DATA SEQUENCE DRPLKHPFDG DGMVTAFKFP GDGRVHFQSK FVRTQGYVEE QKAGKMIYRG DATA SEQUENCE VFGSQPAGGW LKTIFDLRLK NIANTNITYW GDRLLALWEG GQPHRLEPSN DATA SEQUENCE LATIGLDDLG GILAEGQPLS AHPRIDPAST FDGGQPCYVT FSIKSSLSST DATA SEQUENCE LTLLELDPQG KLLRQKTETF PGFAFIHDFA ITPHYAIFLQ NNVTLNGLPY DATA SEQUENCE LFGLRGAGEC VQFHPDKPAQ IILVPRDGGE IKRIPVQAGF VFHHANAFEE DATA SEQUENCE NGKIILDSIC YNSLPQVDTD GDFRSTNFDN LDPGQLWRFT IDPAAATVEK DATA SEQUENCE QLMVSRCCEF PVVHPQQVGR PYRYVYMGAA HHSTGNAPLQ AILKVDLESG DATA SEQUENCE TETLRSFAPH GFAGEPIFVP RPGGVAEDDG WLLCLIYKAD LHRSELVILD DATA SEQUENCE AQDITAPAIA TLKLKHHIPY PLHGSWAQT 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 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 176.024 176.000 0.040 0.000 1.003 12 Q CA 0.000 55.792 55.803 -0.018 0.000 1.022 12 Q CB 0.000 28.747 28.738 0.015 0.000 1.108 13 R N 0.651 121.154 120.500 0.005 0.000 2.594 13 R HA 0.255 4.595 4.340 -0.000 0.000 0.272 13 R C 0.529 176.848 176.300 0.031 0.000 1.074 13 R CA 0.611 56.717 56.100 0.009 0.000 1.105 13 R CB 0.626 30.728 30.300 -0.329 0.000 1.008 13 R HN 0.722 nan 8.270 nan 0.000 0.472 14 S N 1.039 116.809 115.700 0.118 0.000 2.568 14 S HA 0.096 4.566 4.470 -0.000 0.000 0.232 14 S C -0.327 174.257 174.600 -0.027 0.000 0.975 14 S CA -0.604 57.544 58.200 -0.085 0.000 0.949 14 S CB -0.128 62.842 63.200 -0.385 0.000 0.829 14 S HN 0.635 nan 8.310 nan 0.000 0.479 15 Y N -0.920 119.346 120.300 -0.056 0.000 2.588 15 Y HA 0.823 5.373 4.550 -0.000 0.000 0.343 15 Y C -0.618 175.371 175.900 0.148 0.000 1.065 15 Y CA -1.246 56.885 58.100 0.051 0.000 1.038 15 Y CB 1.003 39.543 38.460 0.133 0.000 1.297 15 Y HN 0.007 nan 8.280 nan 0.000 0.467 16 S N 1.793 117.644 115.700 0.252 0.000 2.509 16 S HA 0.496 4.966 4.470 -0.000 0.000 0.297 16 S C -2.250 172.614 174.600 0.441 0.000 1.118 16 S CA -1.740 56.557 58.200 0.162 0.000 1.074 16 S CB 1.562 64.875 63.200 0.190 0.000 1.038 16 S HN 0.599 nan 8.310 nan 0.000 0.498 17 P HA -0.087 nan 4.420 nan 0.000 0.218 17 P C 0.995 178.591 177.300 0.493 0.000 1.148 17 P CA 1.232 64.673 63.100 0.569 0.000 0.822 17 P CB 0.124 32.060 31.700 0.393 0.000 0.784 18 Q N -1.040 118.944 119.800 0.307 0.000 2.137 18 Q HA -0.119 4.221 4.340 -0.000 0.000 0.198 18 Q C 1.855 177.976 176.000 0.203 0.000 0.960 18 Q CA 1.136 57.061 55.803 0.203 0.000 0.847 18 Q CB -0.500 28.318 28.738 0.134 0.000 0.915 18 Q HN 0.234 nan 8.270 nan 0.000 0.448 19 D N -0.275 120.303 120.400 0.297 0.000 2.097 19 D HA -0.181 4.459 4.640 -0.000 0.000 0.195 19 D C 1.419 177.829 176.300 0.182 0.000 0.989 19 D CA 0.904 55.111 54.000 0.344 0.000 0.827 19 D CB -0.321 40.827 40.800 0.580 0.000 0.966 19 D HN 0.333 nan 8.370 nan 0.000 0.456 20 W N 1.849 123.099 121.300 -0.083 0.000 2.333 20 W HA -0.148 4.512 4.660 -0.000 0.000 0.316 20 W C 2.052 178.540 176.519 -0.051 0.000 1.215 20 W CA 1.152 58.193 57.345 -0.506 0.000 1.278 20 W CB -0.745 28.645 29.460 -0.118 0.000 1.154 20 W HN -0.086 nan 8.180 nan 0.000 0.486 21 L N 0.575 121.671 121.223 -0.212 0.000 2.131 21 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 21 L C 2.810 179.560 176.870 -0.201 0.000 1.092 21 L CA 1.654 56.300 54.840 -0.324 0.000 0.759 21 L CB -0.835 41.123 42.059 -0.169 0.000 0.903 21 L HN 0.011 nan 8.230 nan 0.000 0.435 22 R N 0.220 120.632 120.500 -0.147 0.000 2.117 22 R HA -0.174 4.166 4.340 -0.000 0.000 0.243 22 R C 2.094 178.141 176.300 -0.420 0.000 1.143 22 R CA 1.442 57.428 56.100 -0.190 0.000 0.968 22 R CB -0.445 29.837 30.300 -0.031 0.000 0.863 22 R HN 0.411 nan 8.270 nan 0.000 0.444 23 G N -1.581 106.728 108.800 -0.818 0.000 2.625 23 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.214 23 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.214 23 G C 0.750 174.909 174.900 -1.235 0.000 1.132 23 G CA 0.268 44.291 45.100 -1.795 0.000 0.782 23 G HN 0.414 nan 8.290 nan 0.000 0.538 24 Y N 0.084 120.100 120.300 -0.474 0.000 2.457 24 Y HA 0.221 4.771 4.550 -0.000 0.000 0.263 24 Y C 1.639 177.529 175.900 -0.018 0.000 1.164 24 Y CA -0.551 57.455 58.100 -0.157 0.000 1.274 24 Y CB 0.355 38.823 38.460 0.012 0.000 1.097 24 Y HN 0.162 nan 8.280 nan 0.000 0.523 25 Q N 0.782 120.631 119.800 0.080 0.000 2.349 25 Q HA 0.033 4.373 4.340 -0.000 0.000 0.287 25 Q C 0.269 176.469 176.000 0.334 0.000 1.044 25 Q CA -0.015 55.880 55.803 0.153 0.000 0.918 25 Q CB 0.624 29.384 28.738 0.037 0.000 1.242 25 Q HN 0.181 nan 8.270 nan 0.000 0.405 26 S N 2.059 117.920 115.700 0.269 0.000 2.568 26 S HA -0.015 4.455 4.470 -0.000 0.000 0.282 26 S C -0.045 174.743 174.600 0.314 0.000 1.338 26 S CA -0.295 58.065 58.200 0.267 0.000 1.045 26 S CB 0.668 63.998 63.200 0.216 0.000 0.873 26 S HN 0.441 nan 8.310 nan 0.000 0.516 27 Q N 2.415 122.359 119.800 0.241 0.000 2.560 27 Q HA 0.340 4.680 4.340 -0.000 0.000 0.238 27 Q C -2.138 174.065 176.000 0.338 0.000 1.079 27 Q CA -2.215 53.719 55.803 0.219 0.000 0.866 27 Q CB 0.874 29.621 28.738 0.016 0.000 1.153 27 Q HN 0.254 nan 8.270 nan 0.000 0.530 28 P HA -0.076 nan 4.420 nan 0.000 0.224 28 P C -0.075 177.338 177.300 0.189 0.000 1.157 28 P CA 0.426 63.660 63.100 0.223 0.000 0.799 28 P CB 0.381 32.140 31.700 0.099 0.000 0.809 29 Q N 0.707 120.568 119.800 0.102 0.000 2.373 29 Q HA 0.097 4.437 4.340 -0.000 0.000 0.255 29 Q C -0.331 175.565 176.000 -0.174 0.000 0.980 29 Q CA 0.173 55.891 55.803 -0.143 0.000 0.882 29 Q CB 0.520 29.022 28.738 -0.394 0.000 1.249 29 Q HN 0.201 nan 8.270 nan 0.000 0.438 30 E N 2.252 122.286 120.200 -0.277 0.000 2.191 30 E HA 0.301 4.651 4.350 -0.000 0.000 0.274 30 E C -1.421 174.962 176.600 -0.362 0.000 0.948 30 E CA -0.400 55.902 56.400 -0.164 0.000 0.802 30 E CB 1.074 30.763 29.700 -0.018 0.000 1.137 30 E HN 0.400 nan 8.360 nan 0.000 0.397 31 W N 1.056 122.330 121.300 -0.043 0.000 2.799 31 W HA 0.437 5.097 4.660 -0.000 0.000 0.349 31 W C -0.489 175.997 176.519 -0.056 0.000 1.100 31 W CA -0.465 56.920 57.345 0.066 0.000 1.174 31 W CB 1.442 31.080 29.460 0.297 0.000 1.427 31 W HN 0.284 nan 8.180 nan 0.000 0.547 32 D N 1.716 122.320 120.400 0.342 0.000 2.419 32 D HA 0.197 4.837 4.640 -0.000 0.000 0.219 32 D C -1.921 174.578 176.300 0.332 0.000 1.349 32 D CA -0.301 53.748 54.000 0.081 0.000 0.964 32 D CB 1.030 41.863 40.800 0.055 0.000 1.463 32 D HN 0.417 nan 8.370 nan 0.000 0.573 33 Y N 0.058 120.459 120.300 0.168 0.000 2.573 33 Y HA 0.497 5.047 4.550 -0.000 0.000 0.328 33 Y C -1.917 174.087 175.900 0.173 0.000 1.170 33 Y CA -1.529 56.702 58.100 0.219 0.000 1.078 33 Y CB 0.199 38.819 38.460 0.266 0.000 1.341 33 Y HN 0.087 nan 8.280 nan 0.000 0.459 34 W N 3.045 124.558 121.300 0.355 0.000 2.368 34 W HA 0.525 5.185 4.660 -0.000 0.000 0.316 34 W C -0.380 176.318 176.519 0.298 0.000 1.375 34 W CA -0.598 56.875 57.345 0.213 0.000 1.261 34 W CB 1.088 30.589 29.460 0.068 0.000 1.298 34 W HN 0.444 nan 8.180 nan 0.000 0.539 35 V N 5.054 125.197 119.914 0.381 0.000 2.493 35 V HA -0.114 4.006 4.120 -0.000 0.000 0.292 35 V C 0.848 177.089 176.094 0.246 0.000 1.016 35 V CA 0.507 63.000 62.300 0.322 0.000 1.097 35 V CB 0.500 32.437 31.823 0.190 0.000 0.947 35 V HN 0.698 nan 8.190 nan 0.000 0.479 36 E N 2.114 122.427 120.200 0.187 0.000 2.127 36 E HA 0.001 4.351 4.350 -0.000 0.000 0.191 36 E C 0.463 177.102 176.600 0.065 0.000 0.964 36 E CA 0.072 56.540 56.400 0.113 0.000 0.832 36 E CB 0.231 29.980 29.700 0.082 0.000 0.790 36 E HN 0.660 nan 8.360 nan 0.000 0.465 37 D N 1.638 122.064 120.400 0.044 0.000 2.435 37 D HA 0.104 4.744 4.640 -0.000 0.000 0.230 37 D C -1.357 174.952 176.300 0.014 0.000 1.215 37 D CA 0.094 54.101 54.000 0.012 0.000 0.947 37 D CB 0.566 41.354 40.800 -0.019 0.000 1.048 37 D HN -0.209 nan 8.370 nan 0.000 0.512 38 V N 4.572 124.497 119.914 0.020 0.000 2.447 38 V HA 0.198 4.318 4.120 -0.000 0.000 0.292 38 V C 0.277 176.376 176.094 0.008 0.000 1.021 38 V CA -0.950 61.362 62.300 0.019 0.000 0.850 38 V CB 1.652 33.498 31.823 0.039 0.000 1.005 38 V HN 0.309 nan 8.190 nan 0.000 0.426 39 E N 2.909 123.108 120.200 -0.001 0.000 2.373 39 E HA 0.573 4.923 4.350 -0.000 0.000 0.263 39 E C 0.953 177.552 176.600 -0.001 0.000 1.073 39 E CA 0.416 56.816 56.400 -0.001 0.000 0.894 39 E CB 1.322 31.020 29.700 -0.003 0.000 1.008 39 E HN 1.004 nan 8.360 nan 0.000 0.420 40 G N 1.863 110.663 108.800 -0.000 0.000 2.552 40 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.265 40 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.265 40 G C -0.333 174.566 174.900 -0.002 0.000 1.234 40 G CA -0.031 45.068 45.100 -0.002 0.000 0.944 40 G HN 0.566 nan 8.290 nan 0.000 0.568 41 S N -0.718 114.977 115.700 -0.009 0.000 2.736 41 S HA 0.585 5.055 4.470 -0.000 0.000 0.285 41 S C 0.084 174.663 174.600 -0.034 0.000 1.163 41 S CA -0.520 57.675 58.200 -0.009 0.000 1.025 41 S CB 0.528 63.726 63.200 -0.003 0.000 1.030 41 S HN 0.756 nan 8.310 nan 0.000 0.486 42 I N 6.055 126.609 120.570 -0.026 0.000 2.587 42 I HA 0.178 4.348 4.170 -0.000 0.000 0.284 42 I C -1.975 174.071 176.117 -0.118 0.000 1.134 42 I CA -1.503 59.758 61.300 -0.064 0.000 1.410 42 I CB 0.560 38.596 38.000 0.059 0.000 1.392 42 I HN 0.412 nan 8.210 nan 0.000 0.545 43 P HA 0.138 nan 4.420 nan 0.000 0.271 43 P C -2.142 175.042 177.300 -0.193 0.000 1.226 43 P CA -1.330 61.633 63.100 -0.229 0.000 0.765 43 P CB 0.247 31.707 31.700 -0.400 0.000 0.835 44 P HA -0.166 nan 4.420 nan 0.000 0.219 44 P C 0.601 177.906 177.300 0.008 0.000 1.146 44 P CA 1.425 64.522 63.100 -0.006 0.000 0.808 44 P CB -0.093 31.622 31.700 0.025 0.000 0.779 45 D N -1.570 118.850 120.400 0.032 0.000 2.328 45 D HA 0.006 4.646 4.640 -0.000 0.000 0.221 45 D C 0.361 176.707 176.300 0.075 0.000 1.072 45 D CA -0.136 53.938 54.000 0.123 0.000 0.850 45 D CB -0.749 40.190 40.800 0.231 0.000 0.922 45 D HN 0.107 nan 8.370 nan 0.000 0.516 46 L N 1.211 122.239 121.223 -0.325 0.000 2.295 46 L HA 0.317 4.657 4.340 -0.000 0.000 0.288 46 L C -0.951 175.875 176.870 -0.074 0.000 1.079 46 L CA 0.195 54.704 54.840 -0.551 0.000 0.830 46 L CB 0.374 41.627 42.059 -1.345 0.000 1.200 46 L HN -0.076 nan 8.230 nan 0.000 0.438 47 Q N 4.259 124.199 119.800 0.233 0.000 2.275 47 Q HA 0.789 5.129 4.340 -0.000 0.000 0.266 47 Q C -0.321 175.817 176.000 0.230 0.000 1.002 47 Q CA -0.480 55.483 55.803 0.268 0.000 0.761 47 Q CB 2.207 31.042 28.738 0.163 0.000 1.255 47 Q HN 0.911 nan 8.270 nan 0.000 0.446 48 G N 0.744 109.599 108.800 0.090 0.000 2.345 48 G HA2 0.225 4.185 3.960 -0.000 0.000 0.285 48 G HA3 0.225 4.185 3.960 -0.000 0.000 0.285 48 G C -1.375 173.293 174.900 -0.386 0.000 1.297 48 G CA -0.690 44.100 45.100 -0.516 0.000 0.875 48 G HN 0.311 nan 8.290 nan 0.000 0.506 49 T N 0.449 114.594 114.554 -0.681 0.000 2.824 49 T HA 0.546 4.896 4.350 -0.000 0.000 0.282 49 T C -0.800 173.720 174.700 -0.301 0.000 0.993 49 T CA -0.324 61.517 62.100 -0.433 0.000 0.967 49 T CB 1.722 70.120 68.868 -0.783 0.000 0.960 49 T HN 0.802 nan 8.240 nan 0.000 0.441 50 L N 4.687 126.018 121.223 0.180 0.000 2.259 50 L HA 0.478 4.818 4.340 -0.000 0.000 0.288 50 L C -1.419 175.488 176.870 0.062 0.000 1.051 50 L CA -0.382 54.658 54.840 0.333 0.000 0.824 50 L CB -0.414 41.955 42.059 0.518 0.000 1.206 50 L HN 0.539 nan 8.230 nan 0.000 0.429 51 Y N 4.757 125.176 120.300 0.197 0.000 2.310 51 Y HA 0.654 5.204 4.550 -0.000 0.000 0.326 51 Y C 0.427 176.408 175.900 0.136 0.000 1.151 51 Y CA -0.319 57.845 58.100 0.107 0.000 1.195 51 Y CB 1.108 39.609 38.460 0.069 0.000 1.210 51 Y HN 0.550 nan 8.280 nan 0.000 0.483 52 R N 2.180 122.834 120.500 0.257 0.000 2.698 52 R HA 0.436 4.776 4.340 -0.000 0.000 0.275 52 R C -1.678 174.686 176.300 0.107 0.000 1.001 52 R CA -0.748 55.461 56.100 0.182 0.000 0.896 52 R CB 1.381 31.781 30.300 0.165 0.000 1.218 52 R HN 0.724 nan 8.270 nan 0.000 0.462 53 N N 0.622 119.379 118.700 0.096 0.000 2.328 53 N HA 0.758 5.498 4.740 -0.000 0.000 0.299 53 N C -1.239 174.305 175.510 0.058 0.000 1.179 53 N CA -0.042 53.040 53.050 0.053 0.000 0.793 53 N CB 2.268 40.799 38.487 0.074 0.000 1.366 53 N HN 0.804 nan 8.380 nan 0.000 0.493 54 G N 0.576 109.393 108.800 0.029 0.000 2.349 54 G HA2 0.313 4.273 3.960 -0.000 0.000 0.294 54 G HA3 0.313 4.273 3.960 -0.000 0.000 0.294 54 G C -3.279 171.645 174.900 0.040 0.000 1.380 54 G CA -0.700 44.441 45.100 0.068 0.000 0.811 54 G HN 0.400 nan 8.290 nan 0.000 0.519 55 P HA 0.346 nan 4.420 nan 0.000 0.281 55 P C 0.551 177.902 177.300 0.084 0.000 1.252 55 P CA 0.211 63.380 63.100 0.115 0.000 0.778 55 P CB 1.596 33.404 31.700 0.180 0.000 0.895 56 G N 2.641 111.499 108.800 0.097 0.000 2.848 56 G HA2 0.215 4.175 3.960 -0.000 0.000 0.213 56 G HA3 0.215 4.175 3.960 -0.000 0.000 0.213 56 G C -0.053 175.066 174.900 0.365 0.000 1.101 56 G CA -0.013 45.149 45.100 0.105 0.000 0.778 56 G HN 0.347 nan 8.290 nan 0.000 0.536 57 L N 1.026 122.477 121.223 0.380 0.000 2.333 57 L HA 0.491 4.831 4.340 -0.000 0.000 0.280 57 L C 0.301 177.288 176.870 0.194 0.000 1.004 57 L CA -0.611 54.393 54.840 0.273 0.000 0.820 57 L CB 2.325 44.514 42.059 0.217 0.000 1.247 57 L HN -0.047 nan 8.230 nan 0.000 0.416 58 L N 2.289 123.617 121.223 0.175 0.000 2.693 58 L HA 0.220 4.560 4.340 -0.000 0.000 0.235 58 L C 0.356 177.308 176.870 0.137 0.000 1.127 58 L CA 0.201 55.132 54.840 0.151 0.000 0.914 58 L CB 0.132 42.302 42.059 0.185 0.000 1.193 58 L HN 0.612 nan 8.230 nan 0.000 0.502 59 E N 0.102 120.373 120.200 0.119 0.000 2.413 59 E HA 0.471 4.821 4.350 -0.000 0.000 0.277 59 E C -1.109 175.535 176.600 0.075 0.000 0.958 59 E CA -0.683 55.772 56.400 0.092 0.000 0.779 59 E CB 2.163 31.907 29.700 0.075 0.000 1.278 59 E HN -0.052 nan 8.360 nan 0.000 0.456 60 I N 1.526 122.130 120.570 0.058 0.000 2.447 60 I HA 0.503 4.673 4.170 -0.000 0.000 0.287 60 I C 0.891 177.017 176.117 0.016 0.000 1.023 60 I CA 0.227 61.547 61.300 0.033 0.000 1.083 60 I CB 1.435 39.461 38.000 0.042 0.000 1.245 60 I HN 0.974 nan 8.210 nan 0.000 0.434 61 G N 5.735 114.533 108.800 -0.003 0.000 2.591 61 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.298 61 G HA3 -0.338 3.621 3.960 -0.000 0.000 0.298 61 G C 0.252 175.155 174.900 0.006 0.000 1.195 61 G CA 0.687 45.783 45.100 -0.007 0.000 0.989 61 G HN 0.828 nan 8.290 nan 0.000 0.551 62 D N 0.594 120.998 120.400 0.007 0.000 2.463 62 D HA 0.242 4.882 4.640 -0.000 0.000 0.224 62 D C 0.836 177.147 176.300 0.019 0.000 1.174 62 D CA -0.091 53.916 54.000 0.011 0.000 0.829 62 D CB 0.013 40.816 40.800 0.005 0.000 0.993 62 D HN 0.535 nan 8.370 nan 0.000 0.497 63 R N 1.722 122.238 120.500 0.026 0.000 2.239 63 R HA 0.348 4.688 4.340 -0.000 0.000 0.332 63 R C -2.637 173.696 176.300 0.055 0.000 0.988 63 R CA -1.668 54.454 56.100 0.037 0.000 0.859 63 R CB 1.652 31.974 30.300 0.038 0.000 1.148 63 R HN 0.111 nan 8.270 nan 0.000 0.482 64 P HA 0.070 nan 4.420 nan 0.000 0.275 64 P C -0.098 177.268 177.300 0.110 0.000 1.228 64 P CA -0.173 62.976 63.100 0.083 0.000 0.786 64 P CB 0.790 32.528 31.700 0.063 0.000 0.927 65 L N 2.272 123.580 121.223 0.141 0.000 2.439 65 L HA 0.164 4.504 4.340 -0.000 0.000 0.269 65 L C 2.085 179.078 176.870 0.206 0.000 1.179 65 L CA -0.142 54.789 54.840 0.153 0.000 0.828 65 L CB 0.162 42.294 42.059 0.122 0.000 1.106 65 L HN 0.502 nan 8.230 nan 0.000 0.467 66 K N 0.570 121.088 120.400 0.197 0.000 2.155 66 K HA -0.071 4.249 4.320 -0.000 0.000 0.203 66 K C 0.330 177.120 176.600 0.317 0.000 1.052 66 K CA 1.017 57.444 56.287 0.233 0.000 0.948 66 K CB 0.264 32.881 32.500 0.194 0.000 0.728 66 K HN 0.512 nan 8.250 nan 0.000 0.448 67 H N -1.327 117.763 119.070 0.033 0.000 3.029 67 H HA 0.133 4.689 4.556 -0.000 0.000 0.358 67 H C -2.457 172.597 175.328 -0.456 0.000 1.129 67 H CA -1.637 54.236 56.048 -0.291 0.000 1.230 67 H CB 2.441 32.094 29.762 -0.182 0.000 1.827 67 H HN -0.178 nan 8.280 nan 0.000 0.530 68 P HA -0.121 nan 4.420 nan 0.000 0.221 68 P C 1.334 178.680 177.300 0.076 0.000 1.145 68 P CA 0.840 63.579 63.100 -0.601 0.000 0.795 68 P CB 0.016 31.152 31.700 -0.940 0.000 0.775 69 F N 0.520 120.538 119.950 0.113 0.000 2.502 69 F HA -0.031 4.496 4.527 -0.000 0.000 0.298 69 F C 1.636 177.589 175.800 0.256 0.000 1.111 69 F CA 0.248 58.302 58.000 0.090 0.000 1.445 69 F CB -1.111 37.637 39.000 -0.420 0.000 1.081 69 F HN -0.029 nan 8.300 nan 0.000 0.558 70 D N -0.318 120.345 120.400 0.439 0.000 2.355 70 D HA 0.039 4.679 4.640 -0.000 0.000 0.218 70 D C 1.511 177.931 176.300 0.200 0.000 1.004 70 D CA 0.295 54.499 54.000 0.340 0.000 0.880 70 D CB -0.123 40.852 40.800 0.292 0.000 0.911 70 D HN 0.112 nan 8.370 nan 0.000 0.528 71 G N 0.635 109.543 108.800 0.181 0.000 2.483 71 G HA2 0.060 4.020 3.960 -0.000 0.000 0.248 71 G HA3 0.060 4.020 3.960 -0.000 0.000 0.248 71 G C 0.017 174.986 174.900 0.115 0.000 1.248 71 G CA -0.481 44.706 45.100 0.145 0.000 0.838 71 G HN -0.061 nan 8.290 nan 0.000 0.566 72 D N 0.614 121.094 120.400 0.133 0.000 2.455 72 D HA 0.157 4.797 4.640 -0.000 0.000 0.241 72 D C 1.049 177.391 176.300 0.069 0.000 1.138 72 D CA 0.647 54.702 54.000 0.092 0.000 0.877 72 D CB 1.189 42.097 40.800 0.180 0.000 1.187 72 D HN 0.407 nan 8.370 nan 0.000 0.451 73 G N 1.908 110.673 108.800 -0.059 0.000 2.365 73 G HA2 0.288 4.248 3.960 -0.000 0.000 0.249 73 G HA3 0.288 4.248 3.960 -0.000 0.000 0.249 73 G C -0.197 174.552 174.900 -0.252 0.000 1.288 73 G CA -0.338 44.696 45.100 -0.109 0.000 0.887 73 G HN 0.437 nan 8.290 nan 0.000 0.524 74 M N 3.917 123.310 119.600 -0.345 0.000 2.151 74 M HA 0.420 4.900 4.480 -0.000 0.000 0.290 74 M C -1.285 174.808 176.300 -0.345 0.000 0.965 74 M CA -0.604 54.315 55.300 -0.636 0.000 0.930 74 M CB 1.887 33.882 32.600 -1.008 0.000 1.560 74 M HN 0.235 nan 8.290 nan 0.000 0.438 75 V N 3.852 123.589 119.914 -0.295 0.000 2.481 75 V HA 0.622 4.742 4.120 -0.000 0.000 0.286 75 V C 0.272 176.240 176.094 -0.209 0.000 1.042 75 V CA -0.208 61.988 62.300 -0.173 0.000 0.928 75 V CB 1.910 33.658 31.823 -0.125 0.000 0.986 75 V HN 0.908 nan 8.190 nan 0.000 0.462 76 T N 1.978 116.444 114.554 -0.146 0.000 2.908 76 T HA 0.885 5.235 4.350 -0.000 0.000 0.290 76 T C -0.604 173.947 174.700 -0.248 0.000 1.034 76 T CA -0.591 61.332 62.100 -0.296 0.000 1.010 76 T CB 2.015 70.794 68.868 -0.149 0.000 1.068 76 T HN 1.060 nan 8.240 nan 0.000 0.481 77 A N 1.933 124.409 122.820 -0.573 0.000 2.422 77 A HA 0.764 5.084 4.320 -0.000 0.000 0.302 77 A C -1.393 175.773 177.584 -0.696 0.000 1.041 77 A CA -0.874 50.866 52.037 -0.495 0.000 0.708 77 A CB 0.949 19.660 19.000 -0.482 0.000 1.257 77 A HN 0.752 nan 8.150 nan 0.000 0.414 78 F N 1.467 121.233 119.950 -0.307 0.000 2.402 78 F HA 0.505 5.032 4.527 -0.000 0.000 0.355 78 F C 0.396 175.961 175.800 -0.391 0.000 1.123 78 F CA -0.371 57.432 58.000 -0.329 0.000 1.021 78 F CB 2.200 41.123 39.000 -0.128 0.000 1.160 78 F HN 0.454 nan 8.300 nan 0.000 0.451 79 K N 3.800 123.972 120.400 -0.380 0.000 2.263 79 K HA 0.474 4.793 4.320 -0.000 0.000 0.272 79 K C -1.417 175.028 176.600 -0.259 0.000 1.033 79 K CA -0.170 55.965 56.287 -0.253 0.000 0.884 79 K CB 0.381 32.729 32.500 -0.252 0.000 1.107 79 K HN 0.350 nan 8.250 nan 0.000 0.460 80 F N 6.607 126.613 119.950 0.094 0.000 2.308 80 F HA 0.295 4.822 4.527 -0.000 0.000 0.370 80 F C -1.464 174.404 175.800 0.113 0.000 1.100 80 F CA -2.169 55.911 58.000 0.134 0.000 1.108 80 F CB 1.519 40.611 39.000 0.153 0.000 1.293 80 F HN 0.566 nan 8.300 nan 0.000 0.478 81 P HA 0.032 nan 4.420 nan 0.000 0.221 81 P C 1.256 178.653 177.300 0.161 0.000 1.150 81 P CA 1.535 64.749 63.100 0.190 0.000 0.800 81 P CB 0.408 32.222 31.700 0.190 0.000 0.787 82 G N -0.133 108.776 108.800 0.182 0.000 2.179 82 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.220 82 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.220 82 G C 0.509 175.457 174.900 0.080 0.000 0.990 82 G CA 0.380 45.552 45.100 0.120 0.000 0.646 82 G HN 0.457 nan 8.290 nan 0.000 0.517 83 D N 0.325 120.771 120.400 0.077 0.000 2.349 83 D HA 0.377 5.017 4.640 -0.000 0.000 0.224 83 D C 1.854 178.174 176.300 0.035 0.000 1.029 83 D CA 0.806 54.827 54.000 0.035 0.000 0.879 83 D CB -0.545 40.254 40.800 -0.003 0.000 0.906 83 D HN 1.637 nan 8.370 nan 0.000 0.528 84 G N -0.057 108.785 108.800 0.070 0.000 2.175 84 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.244 84 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.244 84 G C 0.262 175.220 174.900 0.096 0.000 0.982 84 G CA -0.109 45.033 45.100 0.069 0.000 0.641 84 G HN 0.466 nan 8.290 nan 0.000 0.527 85 R N -0.789 119.783 120.500 0.121 0.000 2.674 85 R HA 0.776 5.116 4.340 -0.000 0.000 0.266 85 R C -0.743 175.725 176.300 0.281 0.000 1.016 85 R CA -0.424 55.791 56.100 0.191 0.000 1.062 85 R CB 2.469 32.819 30.300 0.083 0.000 1.142 85 R HN 0.419 nan 8.270 nan 0.000 0.517 86 V N 1.370 121.466 119.914 0.304 0.000 2.733 86 V HA 0.240 4.360 4.120 -0.000 0.000 0.306 86 V C -1.274 174.809 176.094 -0.018 0.000 1.084 86 V CA -0.580 61.714 62.300 -0.011 0.000 0.905 86 V CB 1.834 33.460 31.823 -0.330 0.000 1.010 86 V HN 0.800 nan 8.190 nan 0.000 0.424 87 H N 5.826 124.529 119.070 -0.613 0.000 2.488 87 H HA 0.449 5.005 4.556 -0.000 0.000 0.322 87 H C -1.554 173.338 175.328 -0.727 0.000 1.078 87 H CA -0.593 54.822 56.048 -1.055 0.000 1.260 87 H CB 1.328 30.138 29.762 -1.588 0.000 1.425 87 H HN 0.653 nan 8.280 nan 0.000 0.471 88 F N 4.056 123.433 119.950 -0.956 0.000 2.421 88 F HA 0.321 4.848 4.527 -0.000 0.000 0.337 88 F C -0.863 174.251 175.800 -1.144 0.000 1.105 88 F CA -0.303 56.987 58.000 -1.182 0.000 1.049 88 F CB 1.370 39.589 39.000 -1.301 0.000 1.139 88 F HN 0.595 nan 8.300 nan 0.000 0.479 89 Q N 2.656 121.332 119.800 -1.874 0.000 2.379 89 Q HA 0.572 4.912 4.340 -0.000 0.000 0.278 89 Q C -1.600 173.598 176.000 -1.336 0.000 1.068 89 Q CA -1.037 53.982 55.803 -1.307 0.000 0.816 89 Q CB 2.448 30.649 28.738 -0.894 0.000 1.387 89 Q HN 0.723 nan 8.270 nan 0.000 0.413 90 S N 1.677 116.953 115.700 -0.707 0.000 2.614 90 S HA 0.703 5.173 4.470 -0.000 0.000 0.275 90 S C -1.293 173.168 174.600 -0.231 0.000 1.161 90 S CA -0.949 56.994 58.200 -0.427 0.000 0.969 90 S CB 1.496 64.570 63.200 -0.209 0.000 1.059 90 S HN 0.357 nan 8.310 nan 0.000 0.482 91 K N 1.943 122.195 120.400 -0.246 0.000 2.469 91 K HA 0.486 4.806 4.320 -0.000 0.000 0.254 91 K C -1.265 175.174 176.600 -0.269 0.000 0.939 91 K CA -0.617 55.574 56.287 -0.161 0.000 0.812 91 K CB 1.430 33.865 32.500 -0.109 0.000 1.301 91 K HN 0.681 nan 8.250 nan 0.000 0.433 92 F N 1.025 120.859 119.950 -0.193 0.000 2.484 92 F HA 0.054 4.581 4.527 -0.000 0.000 0.360 92 F C 0.943 176.537 175.800 -0.342 0.000 1.101 92 F CA -0.299 57.487 58.000 -0.357 0.000 1.251 92 F CB 0.548 39.178 39.000 -0.616 0.000 1.132 92 F HN 0.026 nan 8.300 nan 0.000 0.570 93 V N 5.338 125.119 119.914 -0.222 0.000 2.529 93 V HA 0.044 4.164 4.120 -0.000 0.000 0.292 93 V C 0.662 176.612 176.094 -0.241 0.000 1.028 93 V CA -0.485 61.682 62.300 -0.223 0.000 1.074 93 V CB 0.189 31.833 31.823 -0.299 0.000 0.958 93 V HN 0.577 nan 8.190 nan 0.000 0.481 94 R N 3.577 124.025 120.500 -0.086 0.000 3.710 94 R HA 0.155 4.495 4.340 -0.000 0.000 0.201 94 R C 0.697 177.019 176.300 0.037 0.000 1.641 94 R CA -0.150 55.992 56.100 0.069 0.000 1.390 94 R CB -0.312 30.062 30.300 0.122 0.000 1.341 94 R HN 0.895 nan 8.270 nan 0.000 0.728 95 T N -2.251 112.268 114.554 -0.057 0.000 2.860 95 T HA -0.029 4.321 4.350 -0.000 0.000 0.299 95 T C 1.303 176.053 174.700 0.084 0.000 1.045 95 T CA -0.657 61.415 62.100 -0.048 0.000 1.071 95 T CB 1.446 70.193 68.868 -0.202 0.000 0.985 95 T HN 0.224 nan 8.240 nan 0.000 0.537 96 Q N 1.586 121.438 119.800 0.086 0.000 2.135 96 Q HA 0.029 4.369 4.340 -0.000 0.000 0.204 96 Q C 2.298 178.326 176.000 0.046 0.000 0.981 96 Q CA 2.398 58.243 55.803 0.069 0.000 0.856 96 Q CB -1.181 27.596 28.738 0.065 0.000 0.902 96 Q HN 0.981 nan 8.270 nan 0.000 0.425 97 G N -1.062 107.705 108.800 -0.055 0.000 2.394 97 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.215 97 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.215 97 G C 1.345 176.278 174.900 0.055 0.000 1.165 97 G CA 0.682 45.714 45.100 -0.113 0.000 0.784 97 G HN 0.480 nan 8.290 nan 0.000 0.535 98 Y N 1.395 121.645 120.300 -0.083 0.000 2.128 98 Y HA -0.152 4.398 4.550 -0.000 0.000 0.284 98 Y C 2.804 178.679 175.900 -0.043 0.000 1.154 98 Y CA 1.661 59.721 58.100 -0.066 0.000 1.149 98 Y CB -0.387 38.023 38.460 -0.083 0.000 0.976 98 Y HN 0.030 nan 8.280 nan 0.000 0.505 99 V N 0.595 120.498 119.914 -0.019 0.000 2.332 99 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 99 V C 2.157 178.195 176.094 -0.094 0.000 1.055 99 V CA 2.374 64.621 62.300 -0.088 0.000 1.038 99 V CB -0.607 31.230 31.823 0.023 0.000 0.651 99 V HN 0.435 nan 8.190 nan 0.000 0.450 100 E N -0.307 119.889 120.200 -0.007 0.000 2.072 100 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 100 E C 2.270 178.857 176.600 -0.022 0.000 0.985 100 E CA 1.290 57.704 56.400 0.023 0.000 0.801 100 E CB -0.094 29.685 29.700 0.132 0.000 0.750 100 E HN 0.681 nan 8.360 nan 0.000 0.452 101 E N 0.489 120.671 120.200 -0.031 0.000 2.107 101 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 101 E C 2.187 178.684 176.600 -0.170 0.000 0.982 101 E CA 0.533 56.891 56.400 -0.070 0.000 0.809 101 E CB 0.066 29.756 29.700 -0.017 0.000 0.756 101 E HN 0.190 nan 8.360 nan 0.000 0.459 102 Q N 0.805 120.416 119.800 -0.316 0.000 2.096 102 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 102 Q C 2.096 177.979 176.000 -0.196 0.000 0.982 102 Q CA 1.328 56.926 55.803 -0.342 0.000 0.850 102 Q CB -0.185 28.240 28.738 -0.521 0.000 0.901 102 Q HN 0.030 nan 8.270 nan 0.000 0.422 103 K N 0.648 120.957 120.400 -0.151 0.000 2.062 103 K HA 0.016 4.336 4.320 -0.000 0.000 0.205 103 K C 1.827 178.382 176.600 -0.076 0.000 1.051 103 K CA 1.237 57.466 56.287 -0.096 0.000 0.941 103 K CB -0.318 32.140 32.500 -0.070 0.000 0.719 103 K HN 0.102 nan 8.250 nan 0.000 0.440 104 A N -0.224 122.553 122.820 -0.072 0.000 2.014 104 A HA 0.168 4.488 4.320 -0.000 0.000 0.218 104 A C 1.693 179.242 177.584 -0.060 0.000 1.163 104 A CA 1.232 53.234 52.037 -0.058 0.000 0.652 104 A CB -0.876 18.093 19.000 -0.052 0.000 0.808 104 A HN 0.613 nan 8.150 nan 0.000 0.449 105 G N -0.820 107.935 108.800 -0.075 0.000 2.148 105 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.254 105 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.254 105 G C 0.074 174.941 174.900 -0.054 0.000 0.981 105 G CA 1.005 46.063 45.100 -0.070 0.000 0.670 105 G HN 1.286 nan 8.290 nan 0.000 0.528 106 K N -1.732 118.638 120.400 -0.049 0.000 2.607 106 K HA 0.639 4.959 4.320 -0.000 0.000 0.287 106 K C -0.153 176.436 176.600 -0.018 0.000 0.996 106 K CA -1.217 55.052 56.287 -0.030 0.000 0.876 106 K CB 0.786 33.268 32.500 -0.029 0.000 1.496 106 K HN 0.330 nan 8.250 nan 0.000 0.415 107 M N 2.712 122.314 119.600 0.002 0.000 2.252 107 M HA 0.097 4.577 4.480 -0.000 0.000 0.348 107 M C -0.347 175.954 176.300 0.002 0.000 1.334 107 M CA 0.387 55.705 55.300 0.029 0.000 1.071 107 M CB 0.241 32.867 32.600 0.043 0.000 1.763 107 M HN 0.745 nan 8.290 nan 0.000 0.452 108 I N 3.636 124.212 120.570 0.010 0.000 3.366 108 I HA 0.087 4.257 4.170 -0.000 0.000 0.267 108 I C -0.205 175.796 176.117 -0.194 0.000 1.149 108 I CA -0.200 61.010 61.300 -0.150 0.000 1.436 108 I CB 0.154 37.971 38.000 -0.305 0.000 1.379 108 I HN 0.568 nan 8.210 nan 0.000 0.460 109 Y N 1.429 121.748 120.300 0.031 0.000 2.316 109 Y HA 0.399 4.949 4.550 -0.000 0.000 0.324 109 Y C 0.382 176.323 175.900 0.067 0.000 1.267 109 Y CA -0.487 57.642 58.100 0.049 0.000 1.311 109 Y CB 0.528 39.013 38.460 0.042 0.000 1.267 109 Y HN -0.125 nan 8.280 nan 0.000 0.516 110 R N 0.720 121.371 120.500 0.251 0.000 2.297 110 R HA 0.435 4.775 4.340 -0.000 0.000 0.308 110 R C 0.146 176.580 176.300 0.223 0.000 1.029 110 R CA -0.528 55.698 56.100 0.210 0.000 0.929 110 R CB 0.776 31.203 30.300 0.212 0.000 1.046 110 R HN 0.865 nan 8.270 nan 0.000 0.461 111 G N 0.719 109.633 108.800 0.190 0.000 2.444 111 G HA2 0.190 4.150 3.960 -0.000 0.000 0.268 111 G HA3 0.190 4.150 3.960 -0.000 0.000 0.268 111 G C 1.073 176.043 174.900 0.116 0.000 1.203 111 G CA -0.741 44.470 45.100 0.185 0.000 0.835 111 G HN 0.418 nan 8.290 nan 0.000 0.543 112 V N 1.129 121.081 119.914 0.063 0.000 2.439 112 V HA -0.190 3.930 4.120 -0.000 0.000 0.253 112 V C 1.637 177.425 176.094 -0.509 0.000 1.074 112 V CA 1.617 63.757 62.300 -0.267 0.000 1.076 112 V CB -0.602 31.013 31.823 -0.347 0.000 0.664 112 V HN 0.614 nan 8.190 nan 0.000 0.461 113 F N -0.304 119.683 119.950 0.062 0.000 2.684 113 F HA 0.552 5.079 4.527 -0.000 0.000 0.298 113 F C 1.531 177.344 175.800 0.022 0.000 1.120 113 F CA 0.581 58.567 58.000 -0.023 0.000 1.332 113 F CB 0.494 39.419 39.000 -0.125 0.000 0.986 113 F HN 0.179 nan 8.300 nan 0.000 0.524 114 G N -0.682 108.204 108.800 0.143 0.000 2.231 114 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.206 114 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.206 114 G C 0.325 175.314 174.900 0.148 0.000 0.996 114 G CA -0.156 45.024 45.100 0.133 0.000 0.645 114 G HN 0.179 nan 8.290 nan 0.000 0.498 115 S N 1.285 117.088 115.700 0.172 0.000 2.562 115 S HA 0.537 5.007 4.470 -0.000 0.000 0.281 115 S C 0.196 174.879 174.600 0.138 0.000 1.333 115 S CA 0.764 59.056 58.200 0.154 0.000 1.052 115 S CB 1.176 64.475 63.200 0.165 0.000 0.884 115 S HN 0.980 nan 8.310 nan 0.000 0.506 116 Q N 0.915 120.784 119.800 0.114 0.000 2.435 116 Q HA 0.550 4.890 4.340 -0.000 0.000 0.282 116 Q C -3.296 172.746 176.000 0.069 0.000 1.020 116 Q CA -2.266 53.595 55.803 0.097 0.000 0.820 116 Q CB 1.289 30.083 28.738 0.094 0.000 1.436 116 Q HN 0.260 nan 8.270 nan 0.000 0.395 117 P HA 0.121 nan 4.420 nan 0.000 0.272 117 P C -0.577 176.731 177.300 0.014 0.000 1.240 117 P CA -0.017 63.096 63.100 0.022 0.000 0.791 117 P CB 0.378 32.075 31.700 -0.006 0.000 0.978 118 A N 0.418 123.241 122.820 0.004 0.000 2.483 118 A HA 0.460 4.780 4.320 -0.000 0.000 0.238 118 A C 1.277 178.848 177.584 -0.022 0.000 1.070 118 A CA 0.732 52.767 52.037 -0.003 0.000 0.770 118 A CB -1.188 17.808 19.000 -0.007 0.000 1.008 118 A HN 0.874 nan 8.150 nan 0.000 0.497 119 G N -0.062 108.721 108.800 -0.029 0.000 2.227 119 G HA2 0.397 4.357 3.960 -0.000 0.000 0.168 119 G HA3 0.397 4.357 3.960 -0.000 0.000 0.168 119 G C 1.495 176.342 174.900 -0.089 0.000 1.006 119 G CA 0.533 45.596 45.100 -0.062 0.000 0.684 119 G HN 2.956 nan 8.290 nan 0.000 0.489 120 G N -0.034 108.742 108.800 -0.039 0.000 2.697 120 G HA2 -0.106 3.853 3.960 -0.000 0.000 0.240 120 G HA3 -0.106 3.853 3.960 -0.000 0.000 0.240 120 G C 1.156 176.042 174.900 -0.022 0.000 1.346 120 G CA 0.730 45.823 45.100 -0.012 0.000 0.887 120 G HN 1.688 nan 8.290 nan 0.000 0.569 121 W N -0.682 120.601 121.300 -0.029 0.000 2.387 121 W HA 0.025 4.685 4.660 0.000 0.000 0.272 121 W C 1.822 178.301 176.519 -0.066 0.000 1.224 121 W CA 1.132 58.448 57.345 -0.048 0.000 1.210 121 W CB -0.891 28.540 29.460 -0.048 0.000 1.125 121 W HN 0.411 nan 8.180 nan 0.000 0.572 122 L N 1.104 121.948 121.223 -0.633 0.000 2.141 122 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 122 L C 2.712 179.443 176.870 -0.231 0.000 1.094 122 L CA 1.295 55.803 54.840 -0.553 0.000 0.763 122 L CB -0.446 41.235 42.059 -0.630 0.000 0.908 122 L HN -0.175 nan 8.230 nan 0.000 0.437 123 K N -0.608 119.695 120.400 -0.162 0.000 2.137 123 K HA -0.014 4.305 4.320 -0.000 0.000 0.202 123 K C 2.017 178.584 176.600 -0.054 0.000 1.052 123 K CA 1.664 57.895 56.287 -0.093 0.000 0.961 123 K CB -0.424 32.030 32.500 -0.076 0.000 0.741 123 K HN 0.382 nan 8.250 nan 0.000 0.452 124 T N -0.902 113.635 114.554 -0.028 0.000 3.051 124 T HA 0.170 4.520 4.350 -0.000 0.000 0.255 124 T C 1.259 175.931 174.700 -0.047 0.000 1.085 124 T CA -0.353 61.740 62.100 -0.011 0.000 1.109 124 T CB -0.201 68.685 68.868 0.030 0.000 0.921 124 T HN 0.056 nan 8.240 nan 0.000 0.488 125 I N 2.347 122.878 120.570 -0.065 0.000 2.906 125 I HA -0.008 4.162 4.170 -0.000 0.000 0.302 125 I C -0.083 175.875 176.117 -0.265 0.000 1.220 125 I CA 0.322 61.465 61.300 -0.261 0.000 1.441 125 I CB -0.214 37.600 38.000 -0.309 0.000 1.336 125 I HN 0.413 nan 8.210 nan 0.000 0.565 126 F N 3.224 123.100 119.950 -0.124 0.000 2.973 126 F HA -0.247 4.280 4.527 -0.000 0.000 0.299 126 F C 0.533 176.247 175.800 -0.143 0.000 0.737 126 F CA 0.867 58.760 58.000 -0.178 0.000 1.151 126 F CB -2.526 36.395 39.000 -0.132 0.000 1.440 126 F HN 0.553 nan 8.300 nan 0.000 0.367 127 D N 1.534 121.926 120.400 -0.014 0.000 2.441 127 D HA 0.416 5.056 4.640 -0.000 0.000 0.221 127 D C 0.658 176.948 176.300 -0.016 0.000 1.156 127 D CA -0.043 53.956 54.000 -0.001 0.000 0.896 127 D CB 0.146 40.945 40.800 -0.002 0.000 1.028 127 D HN 0.345 nan 8.370 nan 0.000 0.509 128 L N 2.970 124.212 121.223 0.031 0.000 2.653 128 L HA 0.275 4.615 4.340 -0.000 0.000 0.231 128 L C 0.930 177.921 176.870 0.202 0.000 1.153 128 L CA -0.287 54.614 54.840 0.101 0.000 0.933 128 L CB -0.066 42.037 42.059 0.073 0.000 1.175 128 L HN 0.053 nan 8.230 nan 0.000 0.473 129 R N 1.341 121.961 120.500 0.200 0.000 2.401 129 R HA 0.352 4.692 4.340 -0.000 0.000 0.299 129 R C -0.619 175.880 176.300 0.333 0.000 1.064 129 R CA -0.059 56.205 56.100 0.273 0.000 1.000 129 R CB 0.524 31.022 30.300 0.330 0.000 0.973 129 R HN 0.146 nan 8.270 nan 0.000 0.438 130 L N 2.962 124.348 121.223 0.272 0.000 2.334 130 L HA 0.331 4.671 4.340 -0.000 0.000 0.277 130 L C 0.359 177.245 176.870 0.027 0.000 1.075 130 L CA -0.502 54.478 54.840 0.234 0.000 0.804 130 L CB 1.122 43.371 42.059 0.316 0.000 1.174 130 L HN 0.445 nan 8.230 nan 0.000 0.438 131 K N 2.905 123.207 120.400 -0.164 0.000 2.268 131 K HA 0.131 4.451 4.320 -0.000 0.000 0.276 131 K C -0.149 176.057 176.600 -0.656 0.000 1.080 131 K CA -0.593 55.368 56.287 -0.543 0.000 0.910 131 K CB 0.506 32.642 32.500 -0.606 0.000 1.163 131 K HN 0.425 nan 8.250 nan 0.000 0.465 132 N N 5.688 124.062 118.700 -0.543 0.000 2.406 132 N HA -0.031 4.709 4.740 -0.000 0.000 0.274 132 N C 0.670 175.780 175.510 -0.667 0.000 1.249 132 N CA 0.008 52.651 53.050 -0.678 0.000 0.951 132 N CB 0.293 38.785 38.487 0.009 0.000 1.241 132 N HN 0.704 nan 8.380 nan 0.000 0.485 133 I N 0.915 120.821 120.570 -1.106 0.000 3.883 133 I HA 0.279 4.449 4.170 -0.000 0.000 0.326 133 I C 0.881 176.759 176.117 -0.398 0.000 1.283 133 I CA -0.309 60.612 61.300 -0.630 0.000 1.161 133 I CB -0.275 37.416 38.000 -0.515 0.000 1.012 133 I HN 0.386 nan 8.210 nan 0.000 0.421 134 A N 3.949 126.612 122.820 -0.261 0.000 2.704 134 A HA -0.262 4.058 4.320 -0.000 0.000 0.299 134 A C 0.959 178.560 177.584 0.028 0.000 1.507 134 A CA 1.437 53.476 52.037 0.003 0.000 0.776 134 A CB -2.631 16.254 19.000 -0.193 0.000 1.027 134 A HN 0.914 nan 8.150 nan 0.000 0.475 135 N N -2.140 116.630 118.700 0.118 0.000 2.184 135 N HA 0.076 4.816 4.740 -0.000 0.000 0.206 135 N C 0.791 176.411 175.510 0.184 0.000 1.151 135 N CA 1.026 54.142 53.050 0.111 0.000 0.878 135 N CB -0.306 38.237 38.487 0.093 0.000 1.014 135 N HN 0.295 nan 8.380 nan 0.000 0.512 136 T N -0.582 114.122 114.554 0.251 0.000 3.033 136 T HA 0.151 4.501 4.350 -0.000 0.000 0.248 136 T C 0.199 175.045 174.700 0.243 0.000 1.040 136 T CA 0.420 62.679 62.100 0.266 0.000 1.133 136 T CB 0.042 69.095 68.868 0.308 0.000 0.895 136 T HN 0.279 nan 8.240 nan 0.000 0.465 137 N N -0.449 118.351 118.700 0.166 0.000 3.020 137 N HA 0.507 5.247 4.740 -0.000 0.000 0.248 137 N C -2.206 173.369 175.510 0.108 0.000 1.480 137 N CA -0.736 52.397 53.050 0.137 0.000 0.874 137 N CB 1.731 40.221 38.487 0.005 0.000 1.433 137 N HN 0.153 nan 8.380 nan 0.000 0.530 138 I N 0.920 121.559 120.570 0.115 0.000 2.649 138 I HA 0.460 4.630 4.170 -0.000 0.000 0.289 138 I C -1.350 174.831 176.117 0.107 0.000 1.222 138 I CA -0.223 61.124 61.300 0.078 0.000 1.046 138 I CB 1.636 39.661 38.000 0.041 0.000 1.272 138 I HN 0.692 nan 8.210 nan 0.000 0.425 139 T N 2.998 117.612 114.554 0.100 0.000 2.906 139 T HA 0.500 4.850 4.350 -0.000 0.000 0.295 139 T C -1.424 173.375 174.700 0.164 0.000 1.061 139 T CA -0.627 61.593 62.100 0.201 0.000 1.000 139 T CB 1.884 70.964 68.868 0.353 0.000 1.103 139 T HN 0.450 nan 8.240 nan 0.000 0.486 140 Y N 2.260 122.611 120.300 0.085 0.000 2.326 140 Y HA 0.629 5.179 4.550 -0.000 0.000 0.331 140 Y C -1.415 174.596 175.900 0.185 0.000 0.962 140 Y CA -1.499 56.623 58.100 0.036 0.000 1.167 140 Y CB 1.126 39.586 38.460 0.000 0.000 1.148 140 Y HN 0.854 nan 8.280 nan 0.000 0.463 141 W N 6.179 127.137 121.300 -0.570 0.000 3.425 141 W HA 0.431 5.091 4.660 0.000 0.000 0.318 141 W C 0.202 176.402 176.519 -0.531 0.000 1.201 141 W CA -0.487 56.564 57.345 -0.491 0.000 1.212 141 W CB 1.940 31.095 29.460 -0.508 0.000 1.355 141 W HN 0.891 nan 8.180 nan 0.000 0.515 142 G N 4.626 112.802 108.800 -1.041 0.000 2.341 142 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.292 142 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.292 142 G C 0.392 175.022 174.900 -0.449 0.000 1.021 142 G CA 1.355 46.078 45.100 -0.627 0.000 0.905 142 G HN 1.039 nan 8.290 nan 0.000 0.508 143 D N -2.135 117.885 120.400 -0.633 0.000 2.945 143 D HA -0.192 4.448 4.640 -0.000 0.000 0.225 143 D C 0.635 176.794 176.300 -0.234 0.000 1.158 143 D CA 1.720 55.465 54.000 -0.425 0.000 0.805 143 D CB -0.705 40.013 40.800 -0.138 0.000 1.098 143 D HN 0.867 nan 8.370 nan 0.000 0.426 144 R N 0.158 120.455 120.500 -0.338 0.000 2.288 144 R HA 0.453 4.793 4.340 -0.000 0.000 0.326 144 R C -0.538 175.753 176.300 -0.015 0.000 0.959 144 R CA -1.041 54.990 56.100 -0.116 0.000 0.834 144 R CB 1.158 31.389 30.300 -0.115 0.000 1.157 144 R HN 0.073 nan 8.270 nan 0.000 0.470 145 L N 5.540 126.855 121.223 0.153 0.000 2.278 145 L HA 0.366 4.706 4.340 -0.000 0.000 0.287 145 L C -1.208 175.658 176.870 -0.008 0.000 1.072 145 L CA 0.142 55.038 54.840 0.094 0.000 0.819 145 L CB 0.558 42.590 42.059 -0.044 0.000 1.176 145 L HN 0.509 nan 8.230 nan 0.000 0.435 146 L N 5.573 126.789 121.223 -0.012 0.000 2.356 146 L HA 0.697 5.037 4.340 -0.000 0.000 0.277 146 L C -0.042 176.847 176.870 0.032 0.000 0.996 146 L CA -0.829 54.023 54.840 0.021 0.000 0.822 146 L CB 1.786 43.866 42.059 0.035 0.000 1.256 146 L HN 0.708 nan 8.230 nan 0.000 0.413 147 A N 5.127 127.982 122.820 0.058 0.000 2.328 147 A HA 0.757 5.077 4.320 -0.000 0.000 0.284 147 A C -0.583 177.085 177.584 0.140 0.000 1.160 147 A CA -0.281 51.800 52.037 0.074 0.000 0.818 147 A CB 0.376 19.400 19.000 0.040 0.000 1.087 147 A HN 0.667 nan 8.150 nan 0.000 0.504 148 L N 1.663 122.971 121.223 0.142 0.000 2.346 148 L HA 0.639 4.979 4.340 -0.000 0.000 0.276 148 L C -0.861 176.166 176.870 0.262 0.000 1.006 148 L CA -0.383 54.553 54.840 0.161 0.000 0.817 148 L CB 1.900 44.006 42.059 0.077 0.000 1.272 148 L HN 0.877 nan 8.230 nan 0.000 0.421 149 W N 3.231 124.571 121.300 0.067 0.000 3.036 149 W HA 0.283 4.943 4.660 0.000 0.000 0.337 149 W C 0.839 177.405 176.519 0.078 0.000 1.055 149 W CA -0.640 56.760 57.345 0.090 0.000 1.248 149 W CB 1.319 30.842 29.460 0.106 0.000 1.335 149 W HN 0.714 nan 8.180 nan 0.000 0.446 150 E N 2.136 122.131 120.200 -0.341 0.000 2.409 150 E HA -0.050 4.300 4.350 -0.000 0.000 0.198 150 E C 1.452 177.774 176.600 -0.465 0.000 1.024 150 E CA 1.265 57.468 56.400 -0.329 0.000 0.861 150 E CB -0.001 29.574 29.700 -0.208 0.000 0.788 150 E HN 0.653 nan 8.360 nan 0.000 0.521 151 G N 0.709 108.876 108.800 -1.054 0.000 2.920 151 G HA2 0.282 4.242 3.960 -0.000 0.000 0.208 151 G HA3 0.282 4.242 3.960 -0.000 0.000 0.208 151 G C 0.428 175.212 174.900 -0.194 0.000 1.159 151 G CA 0.278 44.857 45.100 -0.869 0.000 0.784 151 G HN 0.457 nan 8.290 nan 0.000 0.535 152 G N -1.333 107.521 108.800 0.090 0.000 2.706 152 G HA2 0.469 4.429 3.960 -0.000 0.000 0.307 152 G HA3 0.469 4.429 3.960 -0.000 0.000 0.307 152 G C -0.942 174.060 174.900 0.170 0.000 1.307 152 G CA -0.822 44.429 45.100 0.252 0.000 0.790 152 G HN 0.180 nan 8.290 nan 0.000 0.503 153 Q N 0.915 120.785 119.800 0.116 0.000 2.432 153 Q HA 0.230 4.570 4.340 -0.000 0.000 0.264 153 Q C -1.980 174.056 176.000 0.059 0.000 1.035 153 Q CA -1.005 54.820 55.803 0.037 0.000 0.908 153 Q CB 0.909 29.625 28.738 -0.036 0.000 1.280 153 Q HN 0.283 nan 8.270 nan 0.000 0.455 154 P HA 0.049 nan 4.420 nan 0.000 0.274 154 P C -1.212 176.083 177.300 -0.009 0.000 1.246 154 P CA -0.013 63.138 63.100 0.086 0.000 0.795 154 P CB 0.631 32.367 31.700 0.060 0.000 1.006 155 H N -0.416 118.677 119.070 0.039 0.000 2.459 155 H HA 0.399 4.955 4.556 -0.000 0.000 0.332 155 H C 0.481 175.810 175.328 0.002 0.000 1.094 155 H CA -0.468 55.590 56.048 0.017 0.000 1.224 155 H CB 0.977 30.743 29.762 0.007 0.000 1.449 155 H HN 0.242 nan 8.280 nan 0.000 0.484 156 R N 3.384 123.933 120.500 0.083 0.000 2.340 156 R HA 0.327 4.667 4.340 -0.000 0.000 0.300 156 R C -0.923 175.404 176.300 0.046 0.000 1.069 156 R CA -0.351 55.775 56.100 0.044 0.000 0.984 156 R CB 0.343 30.653 30.300 0.017 0.000 1.003 156 R HN 0.564 nan 8.270 nan 0.000 0.459 157 L N 2.144 123.375 121.223 0.014 0.000 2.322 157 L HA 0.394 4.734 4.340 -0.000 0.000 0.269 157 L C 0.098 176.962 176.870 -0.009 0.000 1.012 157 L CA -1.087 53.748 54.840 -0.008 0.000 0.815 157 L CB 1.626 43.657 42.059 -0.048 0.000 1.295 157 L HN 0.459 nan 8.230 nan 0.000 0.438 158 E N 2.209 122.402 120.200 -0.012 0.000 2.257 158 E HA 0.147 4.497 4.350 -0.000 0.000 0.278 158 E C -1.862 174.718 176.600 -0.032 0.000 1.049 158 E CA -1.920 54.473 56.400 -0.011 0.000 0.876 158 E CB 1.569 31.264 29.700 -0.009 0.000 1.035 158 E HN 0.258 nan 8.360 nan 0.000 0.419 159 P HA -0.209 nan 4.420 nan 0.000 0.216 159 P C 1.336 178.607 177.300 -0.048 0.000 1.153 159 P CA 1.791 64.856 63.100 -0.058 0.000 0.858 159 P CB 0.180 31.809 31.700 -0.118 0.000 0.789 160 S N -0.206 115.469 115.700 -0.041 0.000 2.382 160 S HA -0.154 4.316 4.470 -0.000 0.000 0.228 160 S C 1.384 175.951 174.600 -0.055 0.000 1.027 160 S CA 1.573 59.750 58.200 -0.038 0.000 0.991 160 S CB -1.147 62.044 63.200 -0.014 0.000 0.823 160 S HN 0.247 nan 8.310 nan 0.000 0.469 161 N N 0.516 119.181 118.700 -0.058 0.000 2.184 161 N HA 0.233 4.973 4.740 -0.000 0.000 0.234 161 N C 0.300 175.752 175.510 -0.096 0.000 1.282 161 N CA 0.054 53.057 53.050 -0.077 0.000 0.877 161 N CB -0.668 37.794 38.487 -0.043 0.000 1.184 161 N HN 0.407 nan 8.380 nan 0.000 0.510 162 L N -0.883 120.287 121.223 -0.089 0.000 3.976 162 L HA -0.258 4.082 4.340 -0.000 0.000 0.418 162 L C 0.414 177.245 176.870 -0.064 0.000 1.177 162 L CA 0.527 55.315 54.840 -0.087 0.000 0.968 162 L CB -2.332 39.649 42.059 -0.130 0.000 1.933 162 L HN 0.385 nan 8.230 nan 0.000 0.976 163 A N -0.383 122.412 122.820 -0.041 0.000 2.483 163 A HA 0.456 4.776 4.320 -0.000 0.000 0.238 163 A C 0.857 178.437 177.584 -0.007 0.000 1.070 163 A CA 0.570 52.596 52.037 -0.019 0.000 0.770 163 A CB 0.158 19.153 19.000 -0.008 0.000 1.008 163 A HN 0.220 nan 8.150 nan 0.000 0.497 164 T N 3.168 117.727 114.554 0.009 0.000 2.729 164 T HA 0.340 4.690 4.350 -0.000 0.000 0.296 164 T C 1.407 176.134 174.700 0.046 0.000 0.928 164 T CA -0.119 62.001 62.100 0.033 0.000 1.045 164 T CB 0.327 69.221 68.868 0.043 0.000 0.902 164 T HN 0.447 nan 8.240 nan 0.000 0.500 165 I N 1.760 122.358 120.570 0.047 0.000 2.206 165 I HA 0.255 4.425 4.170 -0.000 0.000 0.239 165 I C 1.561 177.708 176.117 0.050 0.000 1.078 165 I CA 0.615 61.937 61.300 0.038 0.000 1.367 165 I CB -0.252 37.763 38.000 0.025 0.000 1.078 165 I HN 0.793 nan 8.210 nan 0.000 0.413 166 G N -0.037 108.803 108.800 0.067 0.000 2.345 166 G HA2 0.191 4.151 3.960 -0.000 0.000 0.285 166 G HA3 0.191 4.151 3.960 -0.000 0.000 0.285 166 G C -1.213 173.659 174.900 -0.047 0.000 1.297 166 G CA -0.960 44.176 45.100 0.060 0.000 0.875 166 G HN -0.007 nan 8.290 nan 0.000 0.506 167 L N 0.701 121.825 121.223 -0.166 0.000 2.514 167 L HA 0.331 4.671 4.340 -0.000 0.000 0.280 167 L C 0.157 176.940 176.870 -0.145 0.000 1.223 167 L CA 0.333 54.989 54.840 -0.307 0.000 0.864 167 L CB 0.633 42.560 42.059 -0.221 0.000 1.118 167 L HN 0.663 nan 8.230 nan 0.000 0.494 168 D N 0.443 120.764 120.400 -0.132 0.000 2.342 168 D HA 0.234 4.874 4.640 -0.000 0.000 0.243 168 D C -0.450 175.821 176.300 -0.048 0.000 1.019 168 D CA -0.515 53.447 54.000 -0.064 0.000 0.864 168 D CB 1.426 42.202 40.800 -0.041 0.000 1.315 168 D HN 0.543 nan 8.370 nan 0.000 0.468 169 D N 3.412 123.793 120.400 -0.032 0.000 2.538 169 D HA 0.096 4.736 4.640 -0.000 0.000 0.231 169 D C 0.705 176.997 176.300 -0.014 0.000 1.229 169 D CA -0.266 53.722 54.000 -0.021 0.000 0.828 169 D CB -0.509 40.281 40.800 -0.017 0.000 1.035 169 D HN 0.542 nan 8.370 nan 0.000 0.495 170 L N -0.120 121.092 121.223 -0.018 0.000 4.179 170 L HA -0.233 4.107 4.340 -0.000 0.000 0.418 170 L C 1.039 177.902 176.870 -0.013 0.000 1.168 170 L CA 0.522 55.352 54.840 -0.017 0.000 0.972 170 L CB -1.797 40.257 42.059 -0.007 0.000 2.005 170 L HN 0.538 nan 8.230 nan 0.000 0.935 171 G N -1.315 107.477 108.800 -0.013 0.000 2.255 171 G HA2 0.207 4.167 3.960 -0.000 0.000 0.239 171 G HA3 0.207 4.167 3.960 -0.000 0.000 0.239 171 G C 0.828 175.725 174.900 -0.005 0.000 1.083 171 G CA 0.194 45.288 45.100 -0.010 0.000 0.826 171 G HN 1.724 nan 8.290 nan 0.000 0.493 172 G N -1.262 107.534 108.800 -0.005 0.000 2.221 172 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.265 172 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.265 172 G C 1.054 175.954 174.900 0.001 0.000 1.041 172 G CA 0.670 45.769 45.100 -0.002 0.000 0.807 172 G HN 1.046 nan 8.290 nan 0.000 0.502 173 I N -0.733 119.838 120.570 0.002 0.000 2.556 173 I HA 0.180 4.349 4.170 -0.000 0.000 0.251 173 I C 1.846 177.965 176.117 0.003 0.000 1.105 173 I CA 0.710 62.014 61.300 0.007 0.000 1.436 173 I CB -0.602 37.406 38.000 0.013 0.000 1.139 173 I HN 0.163 nan 8.210 nan 0.000 0.438 174 L N 1.441 122.664 121.223 -0.000 0.000 2.397 174 L HA 0.320 4.660 4.340 -0.000 0.000 0.271 174 L C 0.606 177.474 176.870 -0.003 0.000 1.148 174 L CA -0.422 54.416 54.840 -0.003 0.000 0.825 174 L CB 0.712 42.767 42.059 -0.007 0.000 1.117 174 L HN 0.103 nan 8.230 nan 0.000 0.456 175 A N 2.537 125.356 122.820 -0.001 0.000 2.313 175 A HA 0.154 4.474 4.320 -0.000 0.000 0.261 175 A C 0.173 177.758 177.584 0.001 0.000 1.090 175 A CA -0.400 51.637 52.037 0.001 0.000 0.807 175 A CB 0.256 19.257 19.000 0.002 0.000 1.055 175 A HN 0.794 nan 8.150 nan 0.000 0.492 176 E N -0.294 119.907 120.200 0.003 0.000 2.465 176 E HA 0.293 4.643 4.350 -0.000 0.000 0.260 176 E C 1.345 177.952 176.600 0.013 0.000 0.980 176 E CA 1.173 57.577 56.400 0.005 0.000 0.927 176 E CB 0.021 29.726 29.700 0.007 0.000 0.934 176 E HN 1.314 nan 8.360 nan 0.000 0.459 177 G N 3.655 112.465 108.800 0.016 0.000 2.304 177 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.252 177 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.252 177 G C 0.377 175.296 174.900 0.032 0.000 1.014 177 G CA 0.486 45.606 45.100 0.033 0.000 0.619 177 G HN 0.636 nan 8.290 nan 0.000 0.525 178 Q N 2.330 122.139 119.800 0.015 0.000 2.262 178 Q HA 0.291 4.631 4.340 -0.000 0.000 0.298 178 Q C -1.837 174.163 176.000 0.000 0.000 1.083 178 Q CA -0.820 54.986 55.803 0.005 0.000 0.962 178 Q CB 0.661 29.397 28.738 -0.003 0.000 1.104 178 Q HN 0.371 nan 8.270 nan 0.000 0.376 179 P HA 0.123 nan 4.420 nan 0.000 0.274 179 P C -1.247 176.010 177.300 -0.070 0.000 1.246 179 P CA -0.389 62.693 63.100 -0.030 0.000 0.795 179 P CB 0.649 32.310 31.700 -0.065 0.000 1.006 180 L N 0.389 121.558 121.223 -0.090 0.000 2.436 180 L HA 0.448 4.788 4.340 -0.000 0.000 0.268 180 L C -0.057 176.672 176.870 -0.235 0.000 0.974 180 L CA -0.615 54.138 54.840 -0.144 0.000 0.826 180 L CB 1.898 43.920 42.059 -0.062 0.000 1.291 180 L HN 0.326 nan 8.230 nan 0.000 0.406 181 S N 2.896 118.317 115.700 -0.465 0.000 2.558 181 S HA 0.325 4.795 4.470 -0.000 0.000 0.288 181 S C 1.207 175.601 174.600 -0.343 0.000 1.318 181 S CA 0.338 58.159 58.200 -0.631 0.000 1.056 181 S CB 0.816 63.152 63.200 -1.440 0.000 0.853 181 S HN 0.905 nan 8.310 nan 0.000 0.505 182 A N 4.374 127.031 122.820 -0.271 0.000 2.251 182 A HA 0.176 4.496 4.320 -0.000 0.000 0.209 182 A C 0.576 177.897 177.584 -0.439 0.000 1.187 182 A CA 0.222 52.119 52.037 -0.234 0.000 0.823 182 A CB -0.151 18.772 19.000 -0.129 0.000 0.846 182 A HN 0.870 nan 8.150 nan 0.000 0.486 183 H N 0.471 119.426 119.070 -0.191 0.000 2.336 183 H HA 0.247 4.803 4.556 -0.000 0.000 0.230 183 H C -2.827 172.541 175.328 0.066 0.000 1.426 183 H CA -1.765 54.233 56.048 -0.084 0.000 1.359 183 H CB 0.615 30.345 29.762 -0.052 0.000 1.555 183 H HN 0.367 nan 8.280 nan 0.000 0.512 184 P HA 0.185 nan 4.420 nan 0.000 0.276 184 P C 0.030 177.312 177.300 -0.030 0.000 1.261 184 P CA -0.577 62.450 63.100 -0.122 0.000 0.800 184 P CB 1.661 32.857 31.700 -0.838 0.000 1.066 185 R N 1.015 121.465 120.500 -0.082 0.000 2.561 185 R HA 0.473 4.813 4.340 -0.000 0.000 0.297 185 R C -0.401 175.751 176.300 -0.247 0.000 0.969 185 R CA -1.041 54.952 56.100 -0.178 0.000 0.879 185 R CB 1.210 31.318 30.300 -0.320 0.000 1.178 185 R HN 0.417 nan 8.270 nan 0.000 0.445 186 I N 2.359 122.818 120.570 -0.185 0.000 2.337 186 I HA 0.080 4.250 4.170 -0.000 0.000 0.291 186 I C 0.574 176.648 176.117 -0.072 0.000 1.046 186 I CA -0.800 60.401 61.300 -0.165 0.000 1.324 186 I CB 0.348 38.337 38.000 -0.018 0.000 1.409 186 I HN 0.334 nan 8.210 nan 0.000 0.494 187 D N 10.205 130.564 120.400 -0.068 0.000 2.346 187 D HA 0.129 4.769 4.640 -0.000 0.000 0.260 187 D C -1.392 174.940 176.300 0.054 0.000 1.252 187 D CA -1.852 52.139 54.000 -0.014 0.000 0.895 187 D CB 1.487 42.285 40.800 -0.002 0.000 1.097 187 D HN 0.281 nan 8.370 nan 0.000 0.489 188 P HA -0.009 nan 4.420 nan 0.000 0.225 188 P C -0.329 177.025 177.300 0.089 0.000 1.148 188 P CA 0.433 63.595 63.100 0.103 0.000 0.779 188 P CB 0.439 32.190 31.700 0.085 0.000 0.780 189 A N -0.499 122.350 122.820 0.050 0.000 2.771 189 A HA 0.364 4.684 4.320 -0.000 0.000 0.301 189 A C -0.139 177.443 177.584 -0.002 0.000 1.194 189 A CA -0.381 51.675 52.037 0.032 0.000 0.837 189 A CB 0.073 19.078 19.000 0.009 0.000 1.438 189 A HN -0.000 nan 8.150 nan 0.000 0.436 190 S N 1.149 116.869 115.700 0.033 0.000 2.531 190 S HA 0.239 4.709 4.470 -0.000 0.000 0.279 190 S C 1.308 175.861 174.600 -0.078 0.000 1.305 190 S CA 0.927 59.136 58.200 0.014 0.000 1.058 190 S CB 0.884 64.162 63.200 0.130 0.000 0.899 190 S HN 0.950 nan 8.310 nan 0.000 0.493 191 T N 4.248 118.631 114.554 -0.284 0.000 3.072 191 T HA 0.063 4.413 4.350 -0.000 0.000 0.266 191 T C 0.798 175.232 174.700 -0.444 0.000 1.127 191 T CA 0.973 62.828 62.100 -0.408 0.000 1.107 191 T CB -0.502 68.029 68.868 -0.561 0.000 0.910 191 T HN 0.681 nan 8.240 nan 0.000 0.513 192 F N 1.129 121.086 119.950 0.012 0.000 2.664 192 F HA 0.304 4.831 4.527 -0.000 0.000 0.296 192 F C 1.054 176.871 175.800 0.029 0.000 1.125 192 F CA -0.057 57.958 58.000 0.024 0.000 1.444 192 F CB 0.290 39.304 39.000 0.023 0.000 1.114 192 F HN 0.143 nan 8.300 nan 0.000 0.576 193 D N -0.291 120.199 120.400 0.151 0.000 2.891 193 D HA 0.213 4.853 4.640 -0.000 0.000 0.332 193 D C 1.353 177.696 176.300 0.072 0.000 1.369 193 D CA 0.249 54.321 54.000 0.121 0.000 0.827 193 D CB 0.341 41.224 40.800 0.139 0.000 1.141 193 D HN 0.227 nan 8.370 nan 0.000 0.464 194 G N 0.971 109.798 108.800 0.045 0.000 2.296 194 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.282 194 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.282 194 G C 1.183 176.096 174.900 0.022 0.000 1.014 194 G CA 0.704 45.820 45.100 0.027 0.000 0.812 194 G HN 0.931 nan 8.290 nan 0.000 0.508 195 G N -1.831 106.979 108.800 0.016 0.000 2.175 195 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.244 195 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.244 195 G C 0.298 175.225 174.900 0.046 0.000 0.982 195 G CA 1.136 46.245 45.100 0.015 0.000 0.641 195 G HN 1.405 nan 8.290 nan 0.000 0.527 196 Q N 1.595 121.435 119.800 0.067 0.000 2.332 196 Q HA 0.469 4.808 4.340 -0.000 0.000 0.263 196 Q C -1.836 174.250 176.000 0.143 0.000 0.979 196 Q CA -1.532 54.330 55.803 0.099 0.000 0.885 196 Q CB 1.187 29.984 28.738 0.098 0.000 1.218 196 Q HN 0.305 nan 8.270 nan 0.000 0.405 197 P HA 0.041 nan 4.420 nan 0.000 0.272 197 P C -0.881 176.648 177.300 0.383 0.000 1.223 197 P CA -0.289 62.979 63.100 0.281 0.000 0.784 197 P CB 0.552 32.487 31.700 0.392 0.000 0.923 198 C N 0.868 120.315 119.300 0.244 0.000 3.090 198 C HA 0.563 5.023 4.460 -0.000 0.000 0.305 198 C C -0.911 173.903 174.990 -0.294 0.000 1.292 198 C CA -1.177 57.928 59.018 0.145 0.000 1.482 198 C CB 0.633 28.465 27.740 0.154 0.000 1.897 198 C HN 0.593 nan 8.230 nan 0.000 0.469 199 Y N 2.071 121.918 120.300 -0.755 0.000 2.454 199 Y HA 0.598 5.148 4.550 -0.000 0.000 0.345 199 Y C -0.235 175.469 175.900 -0.328 0.000 0.970 199 Y CA -0.312 57.247 58.100 -0.902 0.000 1.204 199 Y CB 0.688 38.223 38.460 -1.542 0.000 1.122 199 Y HN 0.716 nan 8.280 nan 0.000 0.514 200 V N 6.321 126.096 119.914 -0.232 0.000 2.407 200 V HA 0.523 4.643 4.120 -0.000 0.000 0.278 200 V C 0.155 176.261 176.094 0.020 0.000 1.037 200 V CA -0.266 62.040 62.300 0.010 0.000 0.900 200 V CB 1.143 33.054 31.823 0.148 0.000 0.983 200 V HN 0.857 nan 8.190 nan 0.000 0.459 201 T N 4.225 118.791 114.554 0.019 0.000 2.731 201 T HA 0.832 5.182 4.350 -0.000 0.000 0.300 201 T C -1.477 173.193 174.700 -0.051 0.000 1.283 201 T CA -0.425 61.616 62.100 -0.099 0.000 1.005 201 T CB 1.632 70.409 68.868 -0.152 0.000 1.420 201 T HN 0.658 nan 8.240 nan 0.000 0.503 202 F N -0.653 119.116 119.950 -0.302 0.000 2.715 202 F HA 0.880 5.407 4.527 -0.000 0.000 0.318 202 F C -0.840 174.867 175.800 -0.155 0.000 1.141 202 F CA -0.977 56.884 58.000 -0.232 0.000 0.950 202 F CB 1.518 40.347 39.000 -0.285 0.000 1.374 202 F HN 0.548 nan 8.300 nan 0.000 0.477 203 S N 1.400 117.089 115.700 -0.018 0.000 2.548 203 S HA 0.791 5.261 4.470 -0.000 0.000 0.276 203 S C -1.702 172.919 174.600 0.035 0.000 1.129 203 S CA -0.545 57.602 58.200 -0.089 0.000 0.931 203 S CB 1.349 64.518 63.200 -0.053 0.000 1.068 203 S HN 0.977 nan 8.310 nan 0.000 0.480 204 I N 3.239 123.810 120.570 0.001 0.000 2.692 204 I HA 0.599 4.769 4.170 -0.000 0.000 0.293 204 I C -1.673 174.430 176.117 -0.023 0.000 1.200 204 I CA -0.513 60.804 61.300 0.027 0.000 1.036 204 I CB 1.814 39.873 38.000 0.098 0.000 1.258 204 I HN 0.626 nan 8.210 nan 0.000 0.421 205 K N 4.378 124.752 120.400 -0.043 0.000 2.426 205 K HA 0.610 4.930 4.320 -0.000 0.000 0.254 205 K C -1.431 175.110 176.600 -0.099 0.000 0.936 205 K CA -0.493 55.764 56.287 -0.049 0.000 0.801 205 K CB 2.058 34.538 32.500 -0.035 0.000 1.139 205 K HN 0.494 nan 8.250 nan 0.000 0.424 206 S N 1.303 116.967 115.700 -0.060 0.000 2.575 206 S HA 0.527 4.997 4.470 -0.000 0.000 0.278 206 S C -0.805 173.912 174.600 0.195 0.000 1.139 206 S CA -0.291 57.858 58.200 -0.085 0.000 0.954 206 S CB 1.564 64.518 63.200 -0.410 0.000 1.054 206 S HN 0.704 nan 8.310 nan 0.000 0.483 207 S N 3.804 119.633 115.700 0.215 0.000 5.292 207 S HA 0.282 4.752 4.470 -0.000 0.000 0.140 207 S C 0.553 175.272 174.600 0.199 0.000 1.134 207 S CA -0.069 58.282 58.200 0.252 0.000 1.221 207 S CB -0.912 62.364 63.200 0.127 0.000 2.080 207 S HN 0.443 nan 8.310 nan 0.000 0.736 208 L N 1.816 123.093 121.223 0.090 0.000 2.240 208 L HA 0.479 4.819 4.340 -0.000 0.000 0.211 208 L C 1.169 178.052 176.870 0.022 0.000 1.106 208 L CA 0.988 55.862 54.840 0.056 0.000 0.793 208 L CB -0.017 42.060 42.059 0.030 0.000 0.927 208 L HN 0.369 nan 8.230 nan 0.000 0.446 209 S N -2.727 112.957 115.700 -0.026 0.000 2.806 209 S HA 0.698 5.168 4.470 -0.000 0.000 0.306 209 S C -0.940 173.503 174.600 -0.263 0.000 1.167 209 S CA -0.578 57.539 58.200 -0.138 0.000 0.847 209 S CB 1.779 64.913 63.200 -0.109 0.000 1.216 209 S HN -0.094 nan 8.310 nan 0.000 0.532 210 S N 0.717 116.111 115.700 -0.511 0.000 2.619 210 S HA 0.659 5.129 4.470 -0.000 0.000 0.280 210 S C -1.541 172.671 174.600 -0.647 0.000 1.150 210 S CA -0.464 57.230 58.200 -0.842 0.000 0.978 210 S CB 1.821 63.841 63.200 -1.967 0.000 1.041 210 S HN 0.629 nan 8.310 nan 0.000 0.485 211 T N 3.314 117.702 114.554 -0.276 0.000 2.841 211 T HA 0.582 4.932 4.350 -0.000 0.000 0.285 211 T C -1.115 173.617 174.700 0.053 0.000 0.991 211 T CA -0.380 61.694 62.100 -0.045 0.000 0.966 211 T CB 1.069 69.911 68.868 -0.042 0.000 0.962 211 T HN 0.478 nan 8.240 nan 0.000 0.438 212 L N 2.945 124.242 121.223 0.124 0.000 2.362 212 L HA 0.694 5.034 4.340 -0.000 0.000 0.275 212 L C -0.740 176.102 176.870 -0.046 0.000 0.998 212 L CA -0.277 54.566 54.840 0.005 0.000 0.820 212 L CB 1.792 43.757 42.059 -0.157 0.000 1.270 212 L HN 0.593 nan 8.230 nan 0.000 0.415 213 T N 5.391 119.932 114.554 -0.021 0.000 2.809 213 T HA 0.457 4.807 4.350 -0.000 0.000 0.284 213 T C -0.891 173.825 174.700 0.026 0.000 0.992 213 T CA -0.296 61.799 62.100 -0.007 0.000 0.957 213 T CB 1.413 70.283 68.868 0.003 0.000 0.942 213 T HN 0.377 nan 8.240 nan 0.000 0.439 214 L N 6.034 127.272 121.223 0.025 0.000 2.295 214 L HA 0.827 5.167 4.340 -0.000 0.000 0.285 214 L C -1.087 175.821 176.870 0.063 0.000 1.035 214 L CA -0.467 54.424 54.840 0.086 0.000 0.806 214 L CB 0.555 42.686 42.059 0.120 0.000 1.214 214 L HN 0.666 nan 8.230 nan 0.000 0.426 215 L N 1.637 122.904 121.223 0.072 0.000 2.376 215 L HA 0.817 5.157 4.340 -0.000 0.000 0.258 215 L C -1.182 175.732 176.870 0.074 0.000 1.013 215 L CA -0.711 54.164 54.840 0.059 0.000 0.822 215 L CB 2.260 44.348 42.059 0.048 0.000 1.388 215 L HN 0.580 nan 8.230 nan 0.000 0.413 216 E N 2.458 122.699 120.200 0.068 0.000 2.246 216 E HA 0.638 4.988 4.350 -0.000 0.000 0.266 216 E C -1.575 175.085 176.600 0.101 0.000 0.880 216 E CA -0.644 55.803 56.400 0.079 0.000 0.762 216 E CB 2.881 32.621 29.700 0.066 0.000 1.180 216 E HN 0.512 nan 8.360 nan 0.000 0.416 217 L N 2.506 123.807 121.223 0.131 0.000 2.329 217 L HA 0.370 4.710 4.340 -0.000 0.000 0.279 217 L C 0.114 177.185 176.870 0.334 0.000 1.014 217 L CA -1.221 53.739 54.840 0.200 0.000 0.814 217 L CB 1.053 43.238 42.059 0.211 0.000 1.257 217 L HN 0.581 nan 8.230 nan 0.000 0.424 218 D N 2.367 122.945 120.400 0.297 0.000 2.384 218 D HA 0.120 4.760 4.640 -0.000 0.000 0.244 218 D C -2.103 174.443 176.300 0.410 0.000 1.251 218 D CA -1.932 52.258 54.000 0.317 0.000 0.961 218 D CB 0.230 41.130 40.800 0.167 0.000 1.116 218 D HN 0.179 nan 8.370 nan 0.000 0.484 219 P HA -0.087 nan 4.420 nan 0.000 0.226 219 P C 0.488 177.552 177.300 -0.393 0.000 1.146 219 P CA 1.193 64.136 63.100 -0.262 0.000 0.773 219 P CB 0.114 31.684 31.700 -0.215 0.000 0.772 220 Q N -1.751 117.964 119.800 -0.142 0.000 2.280 220 Q HA 0.338 4.678 4.340 -0.000 0.000 0.201 220 Q C 1.411 177.353 176.000 -0.096 0.000 0.890 220 Q CA 0.615 56.331 55.803 -0.145 0.000 0.947 220 Q CB -0.554 28.141 28.738 -0.072 0.000 1.081 220 Q HN 0.152 nan 8.270 nan 0.000 0.502 221 G N 0.101 108.900 108.800 -0.003 0.000 2.159 221 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.256 221 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.256 221 G C -0.127 174.823 174.900 0.083 0.000 0.977 221 G CA -0.048 45.105 45.100 0.089 0.000 0.652 221 G HN 0.089 nan 8.290 nan 0.000 0.531 222 K N -0.009 120.438 120.400 0.079 0.000 2.185 222 K HA 0.487 4.807 4.320 -0.000 0.000 0.271 222 K C 0.443 177.092 176.600 0.083 0.000 1.013 222 K CA -1.182 55.142 56.287 0.062 0.000 0.943 222 K CB 1.462 33.989 32.500 0.044 0.000 0.998 222 K HN 0.252 nan 8.250 nan 0.000 0.468 223 L N 3.616 124.874 121.223 0.059 0.000 2.562 223 L HA -0.032 4.308 4.340 -0.000 0.000 0.271 223 L C 0.782 177.684 176.870 0.053 0.000 1.167 223 L CA 0.682 55.556 54.840 0.055 0.000 0.917 223 L CB -0.203 41.877 42.059 0.036 0.000 1.187 223 L HN 0.643 nan 8.230 nan 0.000 0.482 224 L N 4.439 125.698 121.223 0.061 0.000 2.316 224 L HA 0.282 4.622 4.340 -0.000 0.000 0.207 224 L C 0.743 177.624 176.870 0.017 0.000 1.070 224 L CA 0.215 55.085 54.840 0.050 0.000 0.820 224 L CB -0.016 42.087 42.059 0.075 0.000 0.992 224 L HN 0.584 nan 8.230 nan 0.000 0.466 225 R N -0.718 119.787 120.500 0.008 0.000 2.594 225 R HA 0.425 4.765 4.340 -0.000 0.000 0.265 225 R C -1.352 174.944 176.300 -0.008 0.000 1.070 225 R CA -0.494 55.592 56.100 -0.024 0.000 0.909 225 R CB 2.265 32.520 30.300 -0.074 0.000 1.243 225 R HN -0.102 nan 8.270 nan 0.000 0.455 226 Q N 2.246 122.037 119.800 -0.015 0.000 2.309 226 Q HA 0.444 4.784 4.340 -0.000 0.000 0.273 226 Q C -1.706 174.286 176.000 -0.014 0.000 1.040 226 Q CA -0.739 55.062 55.803 -0.004 0.000 0.834 226 Q CB 2.487 31.226 28.738 0.002 0.000 1.345 226 Q HN 0.475 nan 8.270 nan 0.000 0.414 227 K N 1.520 121.914 120.400 -0.010 0.000 2.464 227 K HA 0.591 4.911 4.320 -0.000 0.000 0.253 227 K C -1.409 175.180 176.600 -0.018 0.000 0.933 227 K CA -0.692 55.585 56.287 -0.017 0.000 0.801 227 K CB 2.513 35.000 32.500 -0.022 0.000 1.271 227 K HN 0.467 nan 8.250 nan 0.000 0.430 228 T N 1.351 115.894 114.554 -0.018 0.000 2.863 228 T HA 0.368 4.718 4.350 -0.000 0.000 0.285 228 T C -1.323 173.366 174.700 -0.018 0.000 1.009 228 T CA -0.657 61.433 62.100 -0.017 0.000 0.989 228 T CB 1.626 70.491 68.868 -0.005 0.000 1.004 228 T HN 0.595 nan 8.240 nan 0.000 0.455 229 E N 1.338 121.531 120.200 -0.011 0.000 2.246 229 E HA 0.496 4.846 4.350 -0.000 0.000 0.266 229 E C -1.166 175.523 176.600 0.147 0.000 0.880 229 E CA -0.493 55.920 56.400 0.022 0.000 0.762 229 E CB 1.281 30.942 29.700 -0.066 0.000 1.180 229 E HN 0.467 nan 8.360 nan 0.000 0.416 230 T N 4.926 119.564 114.554 0.141 0.000 2.875 230 T HA 0.682 5.032 4.350 -0.000 0.000 0.284 230 T C -0.800 174.055 174.700 0.259 0.000 0.995 230 T CA -0.390 61.798 62.100 0.146 0.000 1.060 230 T CB 0.076 68.966 68.868 0.037 0.000 0.967 230 T HN 0.423 nan 8.240 nan 0.000 0.476 231 F N 0.690 120.608 119.950 -0.053 0.000 2.678 231 F HA 0.700 5.227 4.527 -0.000 0.000 0.308 231 F C -3.338 172.445 175.800 -0.028 0.000 1.118 231 F CA -3.009 54.963 58.000 -0.046 0.000 0.959 231 F CB 0.700 39.660 39.000 -0.067 0.000 1.305 231 F HN 0.257 nan 8.300 nan 0.000 0.443 232 P HA 0.522 nan 4.420 nan 0.000 0.278 232 P C 0.302 177.581 177.300 -0.036 0.000 1.238 232 P CA 0.692 63.774 63.100 -0.029 0.000 0.794 232 P CB 1.319 33.038 31.700 0.032 0.000 0.955 233 G N 1.202 109.978 108.800 -0.040 0.000 2.615 233 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.218 233 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.218 233 G C -1.289 173.638 174.900 0.045 0.000 1.339 233 G CA -0.705 44.418 45.100 0.038 0.000 0.884 233 G HN 0.497 nan 8.290 nan 0.000 0.559 234 F N 1.421 121.369 119.950 -0.004 0.000 2.397 234 F HA 0.761 5.288 4.527 -0.000 0.000 0.331 234 F C 0.573 176.436 175.800 0.106 0.000 1.090 234 F CA 0.265 58.281 58.000 0.025 0.000 1.065 234 F CB 1.764 40.803 39.000 0.065 0.000 1.184 234 F HN 1.376 nan 8.300 nan 0.000 0.499 235 A N 4.881 127.231 122.820 -0.784 0.000 2.488 235 A HA 0.581 4.901 4.320 -0.000 0.000 0.298 235 A C -2.198 175.025 177.584 -0.602 0.000 1.044 235 A CA -0.465 51.343 52.037 -0.382 0.000 0.693 235 A CB 0.662 19.656 19.000 -0.010 0.000 1.272 235 A HN 0.666 nan 8.150 nan 0.000 0.402 236 F N 3.429 123.225 119.950 -0.256 0.000 2.311 236 F HA 0.683 5.210 4.527 -0.000 0.000 0.371 236 F C -1.006 174.841 175.800 0.079 0.000 1.083 236 F CA -1.097 56.879 58.000 -0.040 0.000 1.113 236 F CB 0.556 39.682 39.000 0.209 0.000 1.349 236 F HN 0.358 nan 8.300 nan 0.000 0.470 237 I N 6.495 126.807 120.570 -0.429 0.000 2.371 237 I HA 0.158 4.328 4.170 -0.000 0.000 0.282 237 I C 0.484 176.477 176.117 -0.208 0.000 1.031 237 I CA -0.353 60.775 61.300 -0.287 0.000 1.180 237 I CB 1.131 39.073 38.000 -0.097 0.000 1.336 237 I HN 0.627 nan 8.210 nan 0.000 0.467 238 H N 3.603 122.421 119.070 -0.420 0.000 2.465 238 H HA 0.210 4.766 4.556 -0.000 0.000 0.289 238 H C 0.012 175.498 175.328 0.263 0.000 1.022 238 H CA 0.907 56.861 56.048 -0.156 0.000 1.340 238 H CB 0.487 30.208 29.762 -0.068 0.000 1.437 238 H HN 0.552 nan 8.280 nan 0.000 0.539 239 D N -1.450 119.037 120.400 0.145 0.000 2.579 239 D HA 0.280 4.920 4.640 -0.000 0.000 0.257 239 D C -1.205 175.327 176.300 0.387 0.000 1.176 239 D CA -0.490 53.612 54.000 0.170 0.000 0.914 239 D CB 1.511 42.211 40.800 -0.168 0.000 1.431 239 D HN 0.083 nan 8.370 nan 0.000 0.454 240 F N -0.413 119.602 119.950 0.109 0.000 2.779 240 F HA 0.886 5.412 4.527 -0.000 0.000 0.316 240 F C -1.998 173.684 175.800 -0.197 0.000 1.164 240 F CA -1.206 56.666 58.000 -0.214 0.000 0.924 240 F CB 0.764 39.242 39.000 -0.871 0.000 1.348 240 F HN 0.397 nan 8.300 nan 0.000 0.467 241 A N 1.369 123.658 122.820 -0.885 0.000 2.454 241 A HA 0.887 5.207 4.320 -0.000 0.000 0.302 241 A C -1.092 175.965 177.584 -0.879 0.000 1.079 241 A CA -0.579 50.962 52.037 -0.827 0.000 0.731 241 A CB 1.474 20.125 19.000 -0.581 0.000 1.299 241 A HN 1.309 nan 8.150 nan 0.000 0.413 242 I N -1.095 119.090 120.570 -0.641 0.000 2.846 242 I HA 0.920 5.090 4.170 -0.000 0.000 0.307 242 I C -0.028 175.969 176.117 -0.200 0.000 1.053 242 I CA -0.574 60.490 61.300 -0.394 0.000 1.050 242 I CB 2.394 40.196 38.000 -0.330 0.000 1.239 242 I HN 0.730 nan 8.210 nan 0.000 0.439 243 T N -0.411 114.098 114.554 -0.076 0.000 2.858 243 T HA 0.570 4.920 4.350 -0.000 0.000 0.285 243 T C -2.352 172.318 174.700 -0.049 0.000 1.052 243 T CA -1.858 60.234 62.100 -0.013 0.000 1.009 243 T CB 1.599 70.522 68.868 0.092 0.000 1.241 243 T HN 0.407 nan 8.240 nan 0.000 0.542 244 P HA -0.084 nan 4.420 nan 0.000 0.217 244 P C 0.969 178.020 177.300 -0.414 0.000 1.148 244 P CA 1.289 64.164 63.100 -0.375 0.000 0.828 244 P CB -0.020 31.302 31.700 -0.630 0.000 0.783 245 H N -4.636 114.437 119.070 0.005 0.000 2.874 245 H HA 0.255 4.811 4.556 -0.000 0.000 0.264 245 H C 0.015 175.190 175.328 -0.255 0.000 1.007 245 H CA 0.198 56.198 56.048 -0.080 0.000 1.207 245 H CB 0.290 29.890 29.762 -0.271 0.000 1.487 245 H HN 0.203 nan 8.280 nan 0.000 0.505 246 Y N 0.237 120.614 120.300 0.127 0.000 2.512 246 Y HA 0.576 5.126 4.550 -0.000 0.000 0.348 246 Y C -0.204 175.668 175.900 -0.047 0.000 0.990 246 Y CA -1.231 56.892 58.100 0.039 0.000 1.033 246 Y CB 1.738 40.191 38.460 -0.011 0.000 1.259 246 Y HN -0.027 nan 8.280 nan 0.000 0.461 247 A N 3.693 126.591 122.820 0.131 0.000 2.292 247 A HA 0.825 5.144 4.320 -0.000 0.000 0.319 247 A C -0.957 176.508 177.584 -0.197 0.000 1.206 247 A CA -0.544 51.469 52.037 -0.041 0.000 0.835 247 A CB 0.131 19.216 19.000 0.141 0.000 1.164 247 A HN 0.710 nan 8.150 nan 0.000 0.505 248 I N 1.971 122.237 120.570 -0.507 0.000 2.418 248 I HA 0.416 4.586 4.170 -0.000 0.000 0.287 248 I C -1.422 174.273 176.117 -0.704 0.000 1.008 248 I CA -0.118 60.892 61.300 -0.482 0.000 1.104 248 I CB 1.554 39.284 38.000 -0.451 0.000 1.264 248 I HN 0.546 nan 8.210 nan 0.000 0.438 249 F N 6.533 126.349 119.950 -0.223 0.000 2.460 249 F HA 0.462 4.989 4.527 -0.000 0.000 0.341 249 F C -0.271 175.384 175.800 -0.243 0.000 1.130 249 F CA -0.591 57.265 58.000 -0.241 0.000 0.962 249 F CB 1.722 40.532 39.000 -0.318 0.000 1.171 249 F HN 0.283 nan 8.300 nan 0.000 0.436 250 L N 4.437 125.633 121.223 -0.045 0.000 2.257 250 L HA 0.430 4.770 4.340 -0.000 0.000 0.290 250 L C -0.440 176.338 176.870 -0.152 0.000 1.044 250 L CA -0.219 54.537 54.840 -0.141 0.000 0.810 250 L CB 0.918 42.881 42.059 -0.161 0.000 1.193 250 L HN 0.641 nan 8.230 nan 0.000 0.425 251 Q N 4.313 124.021 119.800 -0.153 0.000 2.430 251 Q HA 0.281 4.621 4.340 -0.000 0.000 0.245 251 Q C -0.785 175.152 176.000 -0.105 0.000 1.021 251 Q CA -0.482 55.245 55.803 -0.126 0.000 0.867 251 Q CB 0.651 29.328 28.738 -0.101 0.000 1.210 251 Q HN 0.742 nan 8.270 nan 0.000 0.487 252 N N 2.161 120.762 118.700 -0.165 0.000 2.482 252 N HA 0.018 4.758 4.740 -0.000 0.000 0.260 252 N C -0.283 175.349 175.510 0.204 0.000 1.236 252 N CA -0.197 52.834 53.050 -0.032 0.000 0.938 252 N CB 0.492 38.780 38.487 -0.332 0.000 1.128 252 N HN 0.469 nan 8.380 nan 0.000 0.448 253 N N 1.605 120.499 118.700 0.325 0.000 2.416 253 N HA 0.091 4.831 4.740 -0.000 0.000 0.265 253 N C -1.330 174.506 175.510 0.543 0.000 1.195 253 N CA -0.145 53.101 53.050 0.326 0.000 0.943 253 N CB 0.256 38.864 38.487 0.202 0.000 1.115 253 N HN 0.326 nan 8.380 nan 0.000 0.481 254 V N 0.780 120.999 119.914 0.508 0.000 2.735 254 V HA 0.692 4.812 4.120 -0.000 0.000 0.310 254 V C 0.279 176.682 176.094 0.515 0.000 1.061 254 V CA -0.901 61.757 62.300 0.597 0.000 0.913 254 V CB 1.238 33.452 31.823 0.652 0.000 1.005 254 V HN 0.601 nan 8.190 nan 0.000 0.428 255 T N 1.652 116.480 114.554 0.458 0.000 2.942 255 T HA 0.838 5.188 4.350 -0.000 0.000 0.289 255 T C -0.886 173.825 174.700 0.018 0.000 1.044 255 T CA -0.726 61.534 62.100 0.267 0.000 1.023 255 T CB 1.913 70.927 68.868 0.243 0.000 1.123 255 T HN 1.083 nan 8.240 nan 0.000 0.512 256 L N 1.861 122.995 121.223 -0.148 0.000 2.381 256 L HA 0.658 4.998 4.340 -0.000 0.000 0.274 256 L C -1.074 175.706 176.870 -0.150 0.000 0.988 256 L CA -0.566 54.054 54.840 -0.367 0.000 0.824 256 L CB 1.786 43.367 42.059 -0.798 0.000 1.263 256 L HN 0.824 nan 8.230 nan 0.000 0.410 257 N N 2.956 121.593 118.700 -0.105 0.000 2.558 257 N HA 0.412 5.152 4.740 -0.000 0.000 0.242 257 N C 0.665 176.165 175.510 -0.016 0.000 0.979 257 N CA 0.073 53.102 53.050 -0.035 0.000 0.931 257 N CB 1.658 40.143 38.487 -0.003 0.000 1.122 257 N HN 0.777 nan 8.380 nan 0.000 0.508 258 G N 2.491 111.298 108.800 0.011 0.000 2.985 258 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.209 258 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.209 258 G C 1.331 176.320 174.900 0.148 0.000 1.165 258 G CA 0.082 45.237 45.100 0.093 0.000 0.776 258 G HN 0.573 nan 8.290 nan 0.000 0.541 259 L N 0.685 121.984 121.223 0.128 0.000 2.012 259 L HA -0.068 4.272 4.340 -0.000 0.000 0.210 259 L C 0.094 177.107 176.870 0.238 0.000 1.073 259 L CA 1.332 56.295 54.840 0.205 0.000 0.748 259 L CB -1.209 40.980 42.059 0.217 0.000 0.891 259 L HN 0.120 nan 8.230 nan 0.000 0.431 260 P HA -0.235 nan 4.420 nan 0.000 0.216 260 P C 1.316 178.708 177.300 0.152 0.000 1.150 260 P CA 1.390 64.564 63.100 0.124 0.000 0.837 260 P CB -0.087 31.656 31.700 0.071 0.000 0.786 261 Y N 0.587 120.907 120.300 0.033 0.000 2.163 261 Y HA -0.130 4.420 4.550 -0.000 0.000 0.288 261 Y C 2.103 178.015 175.900 0.019 0.000 1.136 261 Y CA 1.037 59.147 58.100 0.017 0.000 1.147 261 Y CB -1.183 37.269 38.460 -0.014 0.000 0.987 261 Y HN -0.226 nan 8.280 nan 0.000 0.509 262 L N -0.505 120.566 121.223 -0.254 0.000 2.079 262 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 262 L C 1.393 178.017 176.870 -0.411 0.000 1.081 262 L CA 1.885 56.490 54.840 -0.391 0.000 0.752 262 L CB -0.916 40.978 42.059 -0.274 0.000 0.896 262 L HN 0.218 nan 8.230 nan 0.000 0.433 263 F N 0.063 119.903 119.950 -0.183 0.000 2.692 263 F HA 0.365 4.892 4.527 -0.000 0.000 0.303 263 F C 1.792 177.471 175.800 -0.203 0.000 1.114 263 F CA 0.403 58.239 58.000 -0.273 0.000 1.361 263 F CB -0.252 38.618 39.000 -0.217 0.000 1.063 263 F HN 0.208 nan 8.300 nan 0.000 0.550 264 G N 0.183 108.958 108.800 -0.042 0.000 2.162 264 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.260 264 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.260 264 G C 1.102 176.059 174.900 0.096 0.000 0.976 264 G CA 0.592 45.700 45.100 0.014 0.000 0.655 264 G HN 0.440 nan 8.290 nan 0.000 0.533 265 L N -0.871 120.405 121.223 0.087 0.000 2.209 265 L HA 0.326 4.666 4.340 -0.000 0.000 0.207 265 L C 1.766 178.688 176.870 0.087 0.000 1.094 265 L CA 0.984 55.869 54.840 0.076 0.000 0.790 265 L CB -0.159 41.906 42.059 0.010 0.000 0.932 265 L HN 0.342 nan 8.230 nan 0.000 0.447 266 R N -1.043 119.525 120.500 0.114 0.000 2.764 266 R HA 0.484 4.824 4.340 -0.000 0.000 0.270 266 R C -0.483 175.929 176.300 0.187 0.000 1.014 266 R CA -0.651 55.520 56.100 0.118 0.000 0.904 266 R CB 0.732 31.077 30.300 0.075 0.000 1.236 266 R HN -0.080 nan 8.270 nan 0.000 0.466 267 G N -0.210 108.663 108.800 0.122 0.000 2.594 267 G HA2 0.319 4.279 3.960 -0.000 0.000 0.243 267 G HA3 0.319 4.279 3.960 -0.000 0.000 0.243 267 G C 0.953 175.785 174.900 -0.113 0.000 1.229 267 G CA 0.122 45.265 45.100 0.073 0.000 0.843 267 G HN 0.661 nan 8.290 nan 0.000 0.578 268 A N 1.249 123.786 122.820 -0.471 0.000 1.892 268 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 268 A C 2.625 179.927 177.584 -0.470 0.000 1.188 268 A CA 2.441 54.007 52.037 -0.785 0.000 0.631 268 A CB -1.047 17.365 19.000 -0.979 0.000 0.822 268 A HN 1.183 nan 8.150 nan 0.000 0.447 269 G N -0.781 107.718 108.800 -0.503 0.000 2.509 269 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.218 269 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.218 269 G C 1.184 175.900 174.900 -0.307 0.000 1.124 269 G CA 0.816 45.586 45.100 -0.549 0.000 0.776 269 G HN 0.712 nan 8.290 nan 0.000 0.547 270 E N -0.856 119.219 120.200 -0.209 0.000 2.489 270 E HA 0.074 4.424 4.350 -0.000 0.000 0.193 270 E C 1.040 177.582 176.600 -0.096 0.000 1.057 270 E CA -0.236 56.105 56.400 -0.099 0.000 0.866 270 E CB 0.206 29.885 29.700 -0.034 0.000 0.916 270 E HN 0.365 nan 8.360 nan 0.000 0.500 271 C N 1.027 120.237 119.300 -0.149 0.000 2.974 271 C HA 0.220 4.680 4.460 -0.000 0.000 0.282 271 C C 0.667 175.548 174.990 -0.183 0.000 1.292 271 C CA -0.415 58.524 59.018 -0.131 0.000 1.710 271 C CB -0.261 27.403 27.740 -0.127 0.000 2.036 271 C HN 0.026 nan 8.230 nan 0.000 0.629 272 V N 1.851 121.651 119.914 -0.191 0.000 2.407 272 V HA 0.286 4.406 4.120 -0.000 0.000 0.278 272 V C -0.094 175.962 176.094 -0.063 0.000 1.037 272 V CA 0.043 62.241 62.300 -0.169 0.000 0.900 272 V CB 1.320 33.063 31.823 -0.134 0.000 0.983 272 V HN 0.416 nan 8.190 nan 0.000 0.459 273 Q N 3.750 123.542 119.800 -0.013 0.000 2.348 273 Q HA 0.383 4.723 4.340 -0.000 0.000 0.265 273 Q C -1.167 174.809 176.000 -0.040 0.000 0.998 273 Q CA -0.724 55.036 55.803 -0.072 0.000 0.831 273 Q CB 1.364 30.022 28.738 -0.134 0.000 1.251 273 Q HN 0.662 nan 8.270 nan 0.000 0.456 274 F N 4.634 124.480 119.950 -0.175 0.000 2.456 274 F HA 0.184 4.711 4.527 0.000 0.000 0.358 274 F C -0.640 175.024 175.800 -0.226 0.000 1.095 274 F CA -0.174 57.803 58.000 -0.039 0.000 1.216 274 F CB 0.503 39.519 39.000 0.026 0.000 1.125 274 F HN 0.518 nan 8.300 nan 0.000 0.549 275 H N 8.214 127.161 119.070 -0.204 0.000 2.697 275 H HA 0.199 4.755 4.556 -0.000 0.000 0.270 275 H C -1.855 173.044 175.328 -0.714 0.000 1.188 275 H CA -1.552 54.267 56.048 -0.382 0.000 1.322 275 H CB 0.924 30.620 29.762 -0.110 0.000 1.405 275 H HN 0.463 nan 8.280 nan 0.000 0.502 276 P HA -0.123 nan 4.420 nan 0.000 0.218 276 P C 0.578 177.740 177.300 -0.229 0.000 1.149 276 P CA 0.872 63.537 63.100 -0.725 0.000 0.817 276 P CB 0.503 31.917 31.700 -0.476 0.000 0.785 277 D N -0.285 120.024 120.400 -0.152 0.000 2.378 277 D HA 0.005 4.645 4.640 -0.000 0.000 0.227 277 D C 0.559 176.836 176.300 -0.037 0.000 1.012 277 D CA 0.904 54.867 54.000 -0.063 0.000 0.905 277 D CB -0.220 40.558 40.800 -0.038 0.000 0.895 277 D HN 0.299 nan 8.370 nan 0.000 0.532 278 K N 0.828 121.207 120.400 -0.035 0.000 2.156 278 K HA 0.357 4.677 4.320 -0.000 0.000 0.254 278 K C -2.524 174.078 176.600 0.004 0.000 0.950 278 K CA -2.084 54.197 56.287 -0.011 0.000 0.849 278 K CB 1.720 34.216 32.500 -0.005 0.000 1.100 278 K HN -0.185 nan 8.250 nan 0.000 0.434 279 P HA -0.033 nan 4.420 nan 0.000 0.264 279 P C -0.865 176.441 177.300 0.008 0.000 1.193 279 P CA -0.066 63.032 63.100 -0.003 0.000 0.763 279 P CB 0.654 32.344 31.700 -0.016 0.000 0.810 280 A N 3.580 126.399 122.820 -0.001 0.000 2.386 280 A HA 0.188 4.508 4.320 -0.000 0.000 0.246 280 A C 0.164 177.702 177.584 -0.076 0.000 1.089 280 A CA -0.023 51.993 52.037 -0.036 0.000 0.790 280 A CB 0.003 18.950 19.000 -0.089 0.000 1.042 280 A HN 0.608 nan 8.150 nan 0.000 0.497 281 Q N 0.525 120.265 119.800 -0.101 0.000 2.310 281 Q HA 0.466 4.806 4.340 -0.000 0.000 0.270 281 Q C -1.359 174.546 176.000 -0.158 0.000 1.025 281 Q CA -0.544 55.190 55.803 -0.114 0.000 0.772 281 Q CB 1.178 29.859 28.738 -0.096 0.000 1.253 281 Q HN 0.690 nan 8.270 nan 0.000 0.450 282 I N 5.186 125.649 120.570 -0.179 0.000 2.325 282 I HA 0.260 4.430 4.170 -0.000 0.000 0.291 282 I C -0.002 176.016 176.117 -0.164 0.000 1.019 282 I CA -0.459 60.715 61.300 -0.211 0.000 1.302 282 I CB 0.712 38.561 38.000 -0.251 0.000 1.401 282 I HN 0.533 nan 8.210 nan 0.000 0.485 283 I N 7.669 128.159 120.570 -0.133 0.000 2.306 283 I HA 0.294 4.464 4.170 -0.000 0.000 0.288 283 I C -0.004 176.085 176.117 -0.046 0.000 1.036 283 I CA -0.437 60.812 61.300 -0.084 0.000 1.221 283 I CB 1.142 39.098 38.000 -0.074 0.000 1.385 283 I HN 0.338 nan 8.210 nan 0.000 0.472 284 L N 7.089 128.268 121.223 -0.074 0.000 2.259 284 L HA 0.398 4.738 4.340 -0.000 0.000 0.288 284 L C -0.184 176.771 176.870 0.141 0.000 1.051 284 L CA -0.621 54.185 54.840 -0.057 0.000 0.824 284 L CB 1.101 42.996 42.059 -0.273 0.000 1.206 284 L HN 0.244 nan 8.230 nan 0.000 0.429 285 V N 5.061 125.112 119.914 0.229 0.000 2.328 285 V HA 0.294 4.414 4.120 -0.000 0.000 0.278 285 V C -2.099 174.133 176.094 0.229 0.000 1.021 285 V CA -1.909 60.516 62.300 0.209 0.000 0.838 285 V CB 1.336 33.291 31.823 0.219 0.000 0.999 285 V HN 0.550 nan 8.190 nan 0.000 0.447 286 P HA 0.229 nan 4.420 nan 0.000 0.267 286 P C 0.596 177.854 177.300 -0.070 0.000 1.205 286 P CA -0.047 62.999 63.100 -0.090 0.000 0.765 286 P CB 0.601 32.244 31.700 -0.095 0.000 0.828 287 R N 2.242 122.687 120.500 -0.092 0.000 2.189 287 R HA -0.075 4.265 4.340 -0.000 0.000 0.223 287 R C 0.657 176.692 176.300 -0.442 0.000 1.092 287 R CA 1.314 57.311 56.100 -0.172 0.000 0.989 287 R CB -0.198 30.077 30.300 -0.040 0.000 0.876 287 R HN 0.610 nan 8.270 nan 0.000 0.457 288 D N -0.667 119.463 120.400 -0.449 0.000 2.670 288 D HA 0.177 4.817 4.640 -0.000 0.000 0.255 288 D C 0.257 176.444 176.300 -0.188 0.000 1.286 288 D CA -0.026 53.704 54.000 -0.451 0.000 0.830 288 D CB 0.279 40.786 40.800 -0.488 0.000 1.065 288 D HN 0.164 nan 8.370 nan 0.000 0.486 289 G N -1.000 107.719 108.800 -0.135 0.000 2.705 289 G HA2 0.443 4.403 3.960 -0.000 0.000 0.686 289 G HA3 0.443 4.403 3.960 -0.000 0.000 0.686 289 G C 0.094 174.964 174.900 -0.051 0.000 1.285 289 G CA -0.159 44.895 45.100 -0.076 0.000 0.800 289 G HN 1.333 nan 8.290 nan 0.000 0.611 290 G N 0.194 108.976 108.800 -0.031 0.000 2.357 290 G HA2 0.496 4.456 3.960 -0.000 0.000 0.643 290 G HA3 0.496 4.456 3.960 -0.000 0.000 0.643 290 G C -0.462 174.437 174.900 -0.002 0.000 1.358 290 G CA 0.108 45.200 45.100 -0.015 0.000 0.986 290 G HN 1.216 nan 8.290 nan 0.000 0.620 291 E N -0.186 120.018 120.200 0.006 0.000 2.502 291 E HA 0.117 4.467 4.350 -0.000 0.000 0.261 291 E C 1.021 177.635 176.600 0.024 0.000 0.974 291 E CA 0.273 56.678 56.400 0.008 0.000 0.936 291 E CB 0.514 30.219 29.700 0.009 0.000 0.926 291 E HN 0.441 nan 8.360 nan 0.000 0.459 292 I N 2.683 123.257 120.570 0.005 0.000 2.529 292 I HA 0.008 4.178 4.170 -0.000 0.000 0.284 292 I C 0.767 176.879 176.117 -0.007 0.000 1.082 292 I CA -0.029 61.274 61.300 0.005 0.000 1.406 292 I CB 0.471 38.448 38.000 -0.038 0.000 1.405 292 I HN 0.118 nan 8.210 nan 0.000 0.548 293 K N 6.255 126.653 120.400 -0.003 0.000 2.307 293 K HA 0.419 4.739 4.320 -0.000 0.000 0.263 293 K C -0.891 175.667 176.600 -0.069 0.000 0.973 293 K CA -0.508 55.759 56.287 -0.033 0.000 0.846 293 K CB 0.971 33.453 32.500 -0.031 0.000 1.100 293 K HN 0.410 nan 8.250 nan 0.000 0.438 294 R N 4.519 124.974 120.500 -0.074 0.000 2.295 294 R HA 0.464 4.804 4.340 -0.000 0.000 0.324 294 R C -0.607 175.641 176.300 -0.086 0.000 0.968 294 R CA -0.542 55.503 56.100 -0.091 0.000 0.837 294 R CB 0.885 31.131 30.300 -0.089 0.000 1.133 294 R HN 0.507 nan 8.270 nan 0.000 0.450 295 I N 5.189 125.697 120.570 -0.103 0.000 2.410 295 I HA 0.315 4.485 4.170 -0.000 0.000 0.286 295 I C -2.097 173.962 176.117 -0.096 0.000 1.009 295 I CA -2.463 58.781 61.300 -0.094 0.000 1.111 295 I CB 2.115 40.052 38.000 -0.105 0.000 1.262 295 I HN 0.325 nan 8.210 nan 0.000 0.443 296 P HA 0.248 nan 4.420 nan 0.000 0.274 296 P C -0.853 176.411 177.300 -0.060 0.000 1.231 296 P CA -0.252 62.810 63.100 -0.063 0.000 0.790 296 P CB 2.372 34.046 31.700 -0.043 0.000 0.951 297 V N 1.653 121.531 119.914 -0.059 0.000 3.098 297 V HA 0.146 4.266 4.120 -0.000 0.000 0.294 297 V C -1.397 174.682 176.094 -0.025 0.000 1.351 297 V CA -0.722 61.555 62.300 -0.039 0.000 0.999 297 V CB 2.431 34.217 31.823 -0.063 0.000 1.104 297 V HN 0.390 nan 8.190 nan 0.000 0.438 298 Q N 3.385 123.182 119.800 -0.004 0.000 2.295 298 Q HA 0.599 4.939 4.340 -0.000 0.000 0.259 298 Q C 0.450 176.444 176.000 -0.008 0.000 0.976 298 Q CA 0.528 56.327 55.803 -0.007 0.000 0.923 298 Q CB 1.656 30.384 28.738 -0.016 0.000 1.185 298 Q HN 0.937 nan 8.270 nan 0.000 0.410 299 A N 2.053 124.876 122.820 0.005 0.000 1.989 299 A HA 0.614 4.934 4.320 -0.000 0.000 0.201 299 A C 0.670 178.230 177.584 -0.040 0.000 1.720 299 A CA 0.738 52.774 52.037 -0.001 0.000 0.956 299 A CB 0.134 19.118 19.000 -0.026 0.000 1.094 299 A HN 0.903 nan 8.150 nan 0.000 0.561 300 G N -1.407 107.485 108.800 0.154 0.000 2.650 300 G HA2 0.113 4.073 3.960 -0.000 0.000 0.686 300 G HA3 0.113 4.073 3.960 -0.000 0.000 0.686 300 G C -0.543 174.444 174.900 0.146 0.000 1.205 300 G CA -0.323 44.933 45.100 0.260 0.000 0.781 300 G HN 1.000 nan 8.290 nan 0.000 0.648 301 F N 1.022 120.931 119.950 -0.068 0.000 2.495 301 F HA 0.507 5.034 4.527 -0.000 0.000 0.365 301 F C 0.851 176.558 175.800 -0.155 0.000 1.090 301 F CA 0.108 57.820 58.000 -0.481 0.000 1.235 301 F CB 1.061 39.487 39.000 -0.957 0.000 1.119 301 F HN 0.369 nan 8.300 nan 0.000 0.562 302 V N 8.256 127.706 119.914 -0.773 0.000 2.409 302 V HA 0.172 4.292 4.120 -0.000 0.000 0.291 302 V C 0.034 175.845 176.094 -0.471 0.000 1.020 302 V CA -0.255 61.839 62.300 -0.345 0.000 0.848 302 V CB 1.219 32.866 31.823 -0.292 0.000 0.990 302 V HN 0.820 nan 8.190 nan 0.000 0.430 303 F N 1.816 121.778 119.950 0.021 0.000 2.383 303 F HA 0.282 4.809 4.527 0.000 0.000 0.287 303 F C 1.079 176.744 175.800 -0.224 0.000 1.069 303 F CA 0.308 58.270 58.000 -0.064 0.000 1.402 303 F CB 0.264 39.123 39.000 -0.235 0.000 1.116 303 F HN 0.482 nan 8.300 nan 0.000 0.549 304 H N -1.124 118.020 119.070 0.123 0.000 2.589 304 H HA 0.347 4.903 4.556 -0.000 0.000 0.351 304 H C -0.809 174.397 175.328 -0.204 0.000 1.074 304 H CA -0.924 55.081 56.048 -0.073 0.000 1.203 304 H CB 1.052 30.884 29.762 0.116 0.000 1.558 304 H HN -0.079 nan 8.280 nan 0.000 0.522 305 H N 1.231 120.394 119.070 0.156 0.000 2.467 305 H HA 0.262 4.818 4.556 -0.000 0.000 0.331 305 H C 0.467 175.847 175.328 0.088 0.000 1.120 305 H CA -0.097 56.005 56.048 0.090 0.000 1.270 305 H CB 2.043 31.789 29.762 -0.026 0.000 1.466 305 H HN 0.862 nan 8.280 nan 0.000 0.504 306 A N 2.952 125.914 122.820 0.237 0.000 1.840 306 A HA -0.095 4.225 4.320 -0.000 0.000 0.214 306 A C 0.822 178.428 177.584 0.037 0.000 1.198 306 A CA 1.502 53.641 52.037 0.169 0.000 0.608 306 A CB 0.009 19.148 19.000 0.232 0.000 0.839 306 A HN 0.705 nan 8.150 nan 0.000 0.443 307 N N -4.249 114.452 118.700 0.002 0.000 3.348 307 N HA 0.544 5.284 4.740 -0.000 0.000 0.233 307 N C -1.601 173.867 175.510 -0.070 0.000 1.440 307 N CA 0.376 53.324 53.050 -0.170 0.000 0.887 307 N CB 0.926 39.047 38.487 -0.610 0.000 1.410 307 N HN 0.629 nan 8.380 nan 0.000 0.502 308 A N 0.294 123.059 122.820 -0.093 0.000 2.556 308 A HA 0.873 5.193 4.320 -0.000 0.000 0.294 308 A C -1.622 176.007 177.584 0.075 0.000 1.091 308 A CA -0.504 51.483 52.037 -0.082 0.000 0.704 308 A CB 0.720 19.595 19.000 -0.207 0.000 1.300 308 A HN 0.810 nan 8.150 nan 0.000 0.406 309 F N -1.387 118.544 119.950 -0.031 0.000 2.779 309 F HA 0.790 5.317 4.527 0.000 0.000 0.316 309 F C -0.845 174.962 175.800 0.012 0.000 1.164 309 F CA -0.885 57.109 58.000 -0.011 0.000 0.924 309 F CB 1.019 40.032 39.000 0.020 0.000 1.348 309 F HN 0.507 nan 8.300 nan 0.000 0.467 310 E N 0.567 120.937 120.200 0.284 0.000 2.171 310 E HA 0.516 4.866 4.350 -0.000 0.000 0.271 310 E C -1.520 175.243 176.600 0.271 0.000 0.916 310 E CA -0.803 55.708 56.400 0.184 0.000 0.774 310 E CB 2.330 32.156 29.700 0.209 0.000 1.128 310 E HN 0.627 nan 8.360 nan 0.000 0.403 311 E N 2.623 122.924 120.200 0.168 0.000 2.347 311 E HA 0.125 4.475 4.350 -0.000 0.000 0.285 311 E C -1.138 175.515 176.600 0.088 0.000 0.925 311 E CA -0.647 55.857 56.400 0.172 0.000 0.779 311 E CB 0.652 30.523 29.700 0.286 0.000 1.233 311 E HN 0.432 nan 8.360 nan 0.000 0.414 312 N N 2.910 121.653 118.700 0.072 0.000 2.702 312 N HA -0.263 4.477 4.740 -0.000 0.000 0.255 312 N C 0.613 176.140 175.510 0.028 0.000 0.983 312 N CA 1.786 54.862 53.050 0.043 0.000 0.768 312 N CB -1.257 37.251 38.487 0.035 0.000 0.918 312 N HN 0.991 nan 8.380 nan 0.000 0.540 313 G N -2.215 106.605 108.800 0.033 0.000 2.179 313 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.260 313 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.260 313 G C 0.037 174.936 174.900 -0.002 0.000 0.977 313 G CA 0.816 45.927 45.100 0.020 0.000 0.641 313 G HN 0.458 nan 8.290 nan 0.000 0.533 314 K N -0.295 120.098 120.400 -0.012 0.000 2.238 314 K HA 0.793 5.112 4.320 -0.000 0.000 0.239 314 K C -0.309 176.235 176.600 -0.093 0.000 0.987 314 K CA -0.967 55.285 56.287 -0.058 0.000 0.857 314 K CB 2.058 34.520 32.500 -0.063 0.000 1.154 314 K HN 0.170 nan 8.250 nan 0.000 0.439 315 I N 2.057 122.530 120.570 -0.160 0.000 2.406 315 I HA 0.286 4.456 4.170 -0.000 0.000 0.290 315 I C -0.309 175.638 176.117 -0.282 0.000 0.999 315 I CA -1.008 60.156 61.300 -0.227 0.000 1.124 315 I CB 1.341 39.177 38.000 -0.274 0.000 1.289 315 I HN 0.490 nan 8.210 nan 0.000 0.441 316 I N 6.545 126.832 120.570 -0.472 0.000 2.404 316 I HA 0.679 4.849 4.170 -0.000 0.000 0.293 316 I C -1.517 174.397 176.117 -0.337 0.000 0.992 316 I CA -0.535 60.495 61.300 -0.450 0.000 1.149 316 I CB 1.674 39.299 38.000 -0.625 0.000 1.315 316 I HN 0.475 nan 8.210 nan 0.000 0.446 317 L N 6.365 127.530 121.223 -0.096 0.000 2.372 317 L HA 0.632 4.972 4.340 -0.000 0.000 0.274 317 L C -1.523 175.470 176.870 0.205 0.000 0.988 317 L CA -0.014 54.824 54.840 -0.002 0.000 0.833 317 L CB 1.291 43.305 42.059 -0.075 0.000 1.236 317 L HN 0.604 nan 8.230 nan 0.000 0.410 318 D N 3.601 124.120 120.400 0.197 0.000 2.274 318 D HA 0.578 5.218 4.640 -0.000 0.000 0.239 318 D C -0.777 175.725 176.300 0.338 0.000 1.104 318 D CA 0.053 54.213 54.000 0.267 0.000 0.840 318 D CB 1.706 42.677 40.800 0.285 0.000 1.100 318 D HN 0.529 nan 8.370 nan 0.000 0.477 319 S N 1.369 117.313 115.700 0.406 0.000 2.549 319 S HA 0.450 4.920 4.470 -0.000 0.000 0.280 319 S C -0.181 174.630 174.600 0.352 0.000 1.109 319 S CA -0.864 57.594 58.200 0.430 0.000 0.905 319 S CB 1.685 65.234 63.200 0.581 0.000 1.081 319 S HN 0.254 nan 8.310 nan 0.000 0.477 320 I N 2.141 122.879 120.570 0.279 0.000 2.379 320 I HA 0.246 4.416 4.170 -0.000 0.000 0.290 320 I C -0.110 176.163 176.117 0.260 0.000 1.063 320 I CA -0.229 61.222 61.300 0.251 0.000 1.351 320 I CB -0.374 37.776 38.000 0.250 0.000 1.410 320 I HN 0.609 nan 8.210 nan 0.000 0.505 321 C N 6.750 126.209 119.300 0.265 0.000 2.454 321 C HA 0.588 5.048 4.460 -0.000 0.000 0.336 321 C C -0.188 174.839 174.990 0.062 0.000 1.189 321 C CA -0.775 58.381 59.018 0.229 0.000 1.877 321 C CB 1.092 28.908 27.740 0.127 0.000 2.348 321 C HN 0.571 nan 8.230 nan 0.000 0.508 322 Y N 1.012 121.461 120.300 0.248 0.000 2.364 322 Y HA 0.315 4.865 4.550 -0.000 0.000 0.340 322 Y C 1.418 177.475 175.900 0.263 0.000 0.975 322 Y CA -0.184 58.075 58.100 0.265 0.000 1.089 322 Y CB 0.871 39.502 38.460 0.284 0.000 1.192 322 Y HN 0.722 nan 8.280 nan 0.000 0.454 323 N N 1.079 119.997 118.700 0.364 0.000 2.244 323 N HA -0.109 4.631 4.740 -0.000 0.000 0.183 323 N C -0.228 175.507 175.510 0.376 0.000 1.016 323 N CA 1.131 54.367 53.050 0.310 0.000 0.866 323 N CB 0.364 38.997 38.487 0.244 0.000 0.980 323 N HN 0.663 nan 8.380 nan 0.000 0.430 324 S N -0.863 115.076 115.700 0.398 0.000 2.596 324 S HA 0.552 5.022 4.470 -0.000 0.000 0.270 324 S C -1.018 173.786 174.600 0.340 0.000 1.155 324 S CA -1.001 57.431 58.200 0.388 0.000 0.827 324 S CB 2.016 65.357 63.200 0.236 0.000 1.130 324 S HN 0.020 nan 8.310 nan 0.000 0.467 325 L N 1.473 122.866 121.223 0.283 0.000 2.333 325 L HA 0.669 5.009 4.340 -0.000 0.000 0.269 325 L C -2.225 174.694 176.870 0.081 0.000 1.010 325 L CA -2.216 52.692 54.840 0.113 0.000 0.818 325 L CB 1.973 44.023 42.059 -0.016 0.000 1.306 325 L HN 0.611 nan 8.230 nan 0.000 0.430 326 P HA 0.167 nan 4.420 nan 0.000 0.280 326 P C -1.025 176.281 177.300 0.010 0.000 1.244 326 P CA -0.618 62.495 63.100 0.021 0.000 0.784 326 P CB 0.812 32.510 31.700 -0.003 0.000 0.913 327 Q N 0.670 120.478 119.800 0.013 0.000 2.479 327 Q HA 0.082 4.422 4.340 -0.000 0.000 0.267 327 Q C 0.412 176.412 176.000 0.000 0.000 1.071 327 Q CA -0.003 55.801 55.803 0.002 0.000 0.935 327 Q CB 0.431 29.171 28.738 0.003 0.000 1.295 327 Q HN 0.475 nan 8.270 nan 0.000 0.476 328 V N -0.736 119.176 119.914 -0.003 0.000 2.686 328 V HA 0.179 4.299 4.120 -0.000 0.000 0.295 328 V C -0.056 176.046 176.094 0.013 0.000 1.055 328 V CA -0.676 61.627 62.300 0.005 0.000 1.050 328 V CB 1.282 33.107 31.823 0.003 0.000 0.984 328 V HN 0.564 nan 8.190 nan 0.000 0.482 329 D N 3.618 124.032 120.400 0.023 0.000 2.317 329 D HA 0.384 5.024 4.640 -0.000 0.000 0.234 329 D C 1.083 177.402 176.300 0.032 0.000 1.112 329 D CA 0.054 54.069 54.000 0.025 0.000 0.840 329 D CB 1.907 42.723 40.800 0.026 0.000 1.078 329 D HN 0.785 nan 8.370 nan 0.000 0.486 330 T N 2.074 116.643 114.554 0.025 0.000 2.520 330 T HA -0.148 4.202 4.350 -0.000 0.000 0.258 330 T C 0.302 175.023 174.700 0.035 0.000 1.125 330 T CA 0.906 63.023 62.100 0.029 0.000 1.206 330 T CB -0.206 68.674 68.868 0.020 0.000 0.864 330 T HN 0.384 nan 8.240 nan 0.000 0.400 331 D N 1.736 122.153 120.400 0.029 0.000 2.639 331 D HA 0.541 5.181 4.640 -0.000 0.000 0.233 331 D C 0.015 176.330 176.300 0.025 0.000 1.161 331 D CA 0.219 54.236 54.000 0.028 0.000 1.003 331 D CB 0.008 40.822 40.800 0.023 0.000 1.034 331 D HN 0.549 nan 8.370 nan 0.000 0.514 332 G N 1.177 109.995 108.800 0.030 0.000 2.498 332 G HA2 0.404 4.364 3.960 -0.000 0.000 0.301 332 G HA3 0.404 4.364 3.960 -0.000 0.000 0.301 332 G C -1.373 173.551 174.900 0.041 0.000 1.577 332 G CA -0.950 44.165 45.100 0.024 0.000 0.868 332 G HN 0.129 nan 8.290 nan 0.000 0.599 333 D N -0.361 120.055 120.400 0.025 0.000 2.650 333 D HA 0.479 5.119 4.640 -0.000 0.000 0.255 333 D C 1.534 177.861 176.300 0.045 0.000 1.135 333 D CA -0.954 53.087 54.000 0.070 0.000 1.099 333 D CB 0.217 41.065 40.800 0.079 0.000 1.273 333 D HN 0.572 nan 8.370 nan 0.000 0.628 334 F N -0.310 119.592 119.950 -0.079 0.000 2.307 334 F HA 0.068 4.595 4.527 -0.000 0.000 0.301 334 F C 1.819 177.600 175.800 -0.032 0.000 1.076 334 F CA 0.547 58.471 58.000 -0.126 0.000 1.383 334 F CB -0.271 38.505 39.000 -0.373 0.000 1.055 334 F HN 0.016 nan 8.300 nan 0.000 0.526 335 R N 0.503 120.532 120.500 -0.786 0.000 2.237 335 R HA -0.033 4.307 4.340 -0.000 0.000 0.219 335 R C 2.023 178.242 176.300 -0.135 0.000 1.080 335 R CA 1.106 56.857 56.100 -0.582 0.000 0.995 335 R CB -0.440 29.507 30.300 -0.589 0.000 0.875 335 R HN 0.305 nan 8.270 nan 0.000 0.462 336 S N 0.073 115.728 115.700 -0.075 0.000 2.489 336 S HA -0.016 4.454 4.470 -0.000 0.000 0.228 336 S C 0.522 175.157 174.600 0.058 0.000 0.995 336 S CA 0.352 58.557 58.200 0.008 0.000 0.934 336 S CB 0.139 63.338 63.200 -0.002 0.000 0.771 336 S HN 0.259 nan 8.310 nan 0.000 0.522 337 T N 4.233 118.834 114.554 0.078 0.000 2.718 337 T HA -0.095 4.255 4.350 -0.000 0.000 0.265 337 T C 0.115 174.830 174.700 0.024 0.000 1.014 337 T CA 0.410 62.512 62.100 0.004 0.000 1.172 337 T CB -0.195 68.640 68.868 -0.056 0.000 1.007 337 T HN 0.155 nan 8.240 nan 0.000 0.500 338 N N 2.736 121.425 118.700 -0.017 0.000 2.621 338 N HA 0.201 4.941 4.740 -0.000 0.000 0.237 338 N C 0.660 176.185 175.510 0.025 0.000 0.997 338 N CA -0.810 52.279 53.050 0.064 0.000 0.918 338 N CB 0.011 38.542 38.487 0.074 0.000 1.122 338 N HN 0.445 nan 8.380 nan 0.000 0.510 339 F N 0.899 120.853 119.950 0.007 0.000 2.214 339 F HA -0.231 4.296 4.527 -0.000 0.000 0.302 339 F C 1.653 177.481 175.800 0.046 0.000 1.063 339 F CA 1.153 59.145 58.000 -0.013 0.000 1.319 339 F CB 0.177 39.119 39.000 -0.097 0.000 1.046 339 F HN 0.410 nan 8.300 nan 0.000 0.505 340 D N -0.746 119.794 120.400 0.234 0.000 2.348 340 D HA -0.104 4.536 4.640 -0.000 0.000 0.216 340 D C 1.604 177.971 176.300 0.112 0.000 0.970 340 D CA 0.734 54.832 54.000 0.163 0.000 0.889 340 D CB -0.321 40.562 40.800 0.137 0.000 0.912 340 D HN 0.258 nan 8.370 nan 0.000 0.524 341 N N -0.249 118.503 118.700 0.087 0.000 2.236 341 N HA 0.112 4.852 4.740 -0.000 0.000 0.196 341 N C -0.050 175.493 175.510 0.056 0.000 1.114 341 N CA 0.050 53.137 53.050 0.061 0.000 0.859 341 N CB 1.102 39.612 38.487 0.038 0.000 0.982 341 N HN 0.194 nan 8.380 nan 0.000 0.493 342 L N 0.376 121.636 121.223 0.062 0.000 2.331 342 L HA 0.393 4.733 4.340 -0.000 0.000 0.275 342 L C -0.121 176.842 176.870 0.154 0.000 1.022 342 L CA -0.954 53.935 54.840 0.082 0.000 0.812 342 L CB 1.422 43.486 42.059 0.010 0.000 1.257 342 L HN -0.221 nan 8.230 nan 0.000 0.435 343 D N 2.615 123.138 120.400 0.204 0.000 2.302 343 D HA 0.253 4.893 4.640 -0.000 0.000 0.248 343 D C -2.229 174.231 176.300 0.268 0.000 1.094 343 D CA -0.948 53.190 54.000 0.230 0.000 0.897 343 D CB 1.306 42.261 40.800 0.258 0.000 1.200 343 D HN 0.229 nan 8.370 nan 0.000 0.429 344 P HA 0.176 nan 4.420 nan 0.000 0.278 344 P C 0.119 177.314 177.300 -0.175 0.000 1.238 344 P CA -0.539 62.617 63.100 0.092 0.000 0.794 344 P CB 0.708 32.452 31.700 0.073 0.000 0.955 345 G N 2.461 111.013 108.800 -0.413 0.000 2.380 345 G HA2 0.228 4.188 3.960 -0.000 0.000 0.242 345 G HA3 0.228 4.188 3.960 -0.000 0.000 0.242 345 G C -0.564 174.207 174.900 -0.214 0.000 1.298 345 G CA -0.217 44.439 45.100 -0.740 0.000 0.878 345 G HN 0.515 nan 8.290 nan 0.000 0.542 346 Q N 0.104 119.841 119.800 -0.106 0.000 2.359 346 Q HA 0.363 4.703 4.340 -0.000 0.000 0.274 346 Q C -1.212 174.817 176.000 0.048 0.000 1.074 346 Q CA -1.017 54.773 55.803 -0.022 0.000 0.810 346 Q CB 2.875 31.605 28.738 -0.013 0.000 1.342 346 Q HN 0.459 nan 8.270 nan 0.000 0.427 347 L N 2.188 123.375 121.223 -0.059 0.000 2.278 347 L HA 0.393 4.733 4.340 -0.000 0.000 0.287 347 L C -1.688 175.083 176.870 -0.165 0.000 1.072 347 L CA 0.229 55.071 54.840 0.004 0.000 0.819 347 L CB 0.207 42.274 42.059 0.013 0.000 1.176 347 L HN 0.516 nan 8.230 nan 0.000 0.435 348 W N 4.959 126.211 121.300 -0.081 0.000 2.570 348 W HA 0.591 5.251 4.660 -0.000 0.000 0.337 348 W C -0.100 176.253 176.519 -0.277 0.000 1.067 348 W CA -0.655 56.541 57.345 -0.249 0.000 1.229 348 W CB 1.059 30.239 29.460 -0.466 0.000 1.355 348 W HN 0.380 nan 8.180 nan 0.000 0.555 349 R N 2.404 122.846 120.500 -0.097 0.000 2.295 349 R HA 0.522 4.862 4.340 -0.000 0.000 0.324 349 R C -1.525 174.633 176.300 -0.237 0.000 0.968 349 R CA -0.507 55.536 56.100 -0.095 0.000 0.837 349 R CB 0.392 30.662 30.300 -0.051 0.000 1.133 349 R HN 0.378 nan 8.270 nan 0.000 0.450 350 F N 2.419 122.396 119.950 0.046 0.000 2.404 350 F HA 0.295 4.822 4.527 -0.000 0.000 0.354 350 F C 0.289 176.045 175.800 -0.074 0.000 1.122 350 F CA -0.427 57.568 58.000 -0.009 0.000 1.080 350 F CB 2.261 41.236 39.000 -0.042 0.000 1.131 350 F HN 0.351 nan 8.300 nan 0.000 0.471 351 T N 5.655 120.256 114.554 0.077 0.000 2.770 351 T HA 0.556 4.906 4.350 -0.000 0.000 0.297 351 T C -0.126 174.569 174.700 -0.008 0.000 0.997 351 T CA -0.303 61.791 62.100 -0.009 0.000 0.949 351 T CB 0.099 68.953 68.868 -0.023 0.000 0.941 351 T HN 0.273 nan 8.240 nan 0.000 0.457 352 I N 2.994 123.528 120.570 -0.059 0.000 2.354 352 I HA 0.294 4.464 4.170 -0.000 0.000 0.292 352 I C 0.045 176.105 176.117 -0.094 0.000 0.989 352 I CA -0.671 60.580 61.300 -0.082 0.000 1.188 352 I CB 1.407 39.322 38.000 -0.142 0.000 1.342 352 I HN 0.421 nan 8.210 nan 0.000 0.457 353 D N 8.896 129.252 120.400 -0.073 0.000 2.467 353 D HA 0.266 4.906 4.640 -0.000 0.000 0.220 353 D C -1.837 174.418 176.300 -0.074 0.000 1.103 353 D CA -2.176 51.785 54.000 -0.064 0.000 0.886 353 D CB 1.705 42.481 40.800 -0.040 0.000 1.025 353 D HN 0.158 nan 8.370 nan 0.000 0.514 354 P HA -0.112 nan 4.420 nan 0.000 0.215 354 P C 1.016 178.287 177.300 -0.049 0.000 1.153 354 P CA 1.110 64.149 63.100 -0.101 0.000 0.853 354 P CB 0.309 31.938 31.700 -0.119 0.000 0.788 355 A N -0.236 122.566 122.820 -0.029 0.000 1.929 355 A HA 0.067 4.387 4.320 -0.000 0.000 0.216 355 A C 2.210 179.782 177.584 -0.020 0.000 1.176 355 A CA 1.727 53.755 52.037 -0.015 0.000 0.628 355 A CB -1.337 17.658 19.000 -0.007 0.000 0.816 355 A HN 0.208 nan 8.150 nan 0.000 0.444 356 A N -1.513 121.292 122.820 -0.025 0.000 2.238 356 A HA 0.531 4.851 4.320 -0.000 0.000 0.210 356 A C 1.302 178.869 177.584 -0.028 0.000 1.179 356 A CA 0.997 53.020 52.037 -0.023 0.000 0.827 356 A CB -0.837 18.151 19.000 -0.021 0.000 0.856 356 A HN 1.972 nan 8.150 nan 0.000 0.488 357 A N -0.725 122.072 122.820 -0.039 0.000 2.251 357 A HA -0.048 4.272 4.320 -0.000 0.000 0.283 357 A C 0.326 177.885 177.584 -0.041 0.000 1.415 357 A CA 1.206 53.216 52.037 -0.046 0.000 0.742 357 A CB -2.271 16.706 19.000 -0.039 0.000 1.151 357 A HN 0.729 nan 8.150 nan 0.000 0.354 358 T N -0.624 113.904 114.554 -0.044 0.000 2.923 358 T HA 0.671 5.021 4.350 -0.000 0.000 0.311 358 T C -0.830 173.852 174.700 -0.029 0.000 1.183 358 T CA 0.270 62.352 62.100 -0.030 0.000 1.020 358 T CB 2.005 70.859 68.868 -0.024 0.000 1.165 358 T HN 1.861 nan 8.240 nan 0.000 0.482 359 V N 3.803 123.713 119.914 -0.007 0.000 2.752 359 V HA 0.648 4.768 4.120 -0.000 0.000 0.302 359 V C -1.638 174.488 176.094 0.053 0.000 1.133 359 V CA -0.621 61.694 62.300 0.024 0.000 0.919 359 V CB 1.829 33.669 31.823 0.028 0.000 1.026 359 V HN 0.926 nan 8.190 nan 0.000 0.429 360 E N 5.501 125.736 120.200 0.059 0.000 2.263 360 E HA 0.653 5.003 4.350 -0.000 0.000 0.264 360 E C -1.392 175.248 176.600 0.066 0.000 0.923 360 E CA -1.044 55.391 56.400 0.057 0.000 0.802 360 E CB 2.775 32.492 29.700 0.029 0.000 1.228 360 E HN 0.812 nan 8.360 nan 0.000 0.417 361 K N 0.100 120.525 120.400 0.041 0.000 2.443 361 K HA 0.525 4.845 4.320 -0.000 0.000 0.251 361 K C -0.969 175.683 176.600 0.087 0.000 0.972 361 K CA -1.021 55.252 56.287 -0.023 0.000 0.833 361 K CB 2.383 34.777 32.500 -0.177 0.000 1.317 361 K HN 0.492 nan 8.250 nan 0.000 0.441 362 Q N 2.022 121.881 119.800 0.099 0.000 2.284 362 Q HA 0.324 4.664 4.340 -0.000 0.000 0.269 362 Q C -1.832 174.092 176.000 -0.128 0.000 1.026 362 Q CA -1.049 54.768 55.803 0.024 0.000 0.831 362 Q CB 1.835 30.542 28.738 -0.051 0.000 1.322 362 Q HN 0.688 nan 8.270 nan 0.000 0.419 363 L N 4.921 125.827 121.223 -0.529 0.000 2.360 363 L HA 0.258 4.598 4.340 -0.000 0.000 0.276 363 L C 0.059 176.595 176.870 -0.556 0.000 1.121 363 L CA 0.588 54.754 54.840 -1.123 0.000 0.845 363 L CB 0.679 41.913 42.059 -1.375 0.000 1.143 363 L HN 0.995 nan 8.230 nan 0.000 0.452 364 M N 4.070 123.390 119.600 -0.466 0.000 2.730 364 M HA 0.231 4.711 4.480 -0.000 0.000 0.258 364 M C -0.230 175.932 176.300 -0.229 0.000 1.279 364 M CA 0.408 55.548 55.300 -0.267 0.000 1.183 364 M CB 0.405 32.901 32.600 -0.174 0.000 1.291 364 M HN 0.343 nan 8.290 nan 0.000 0.518 365 V N 1.652 121.414 119.914 -0.253 0.000 2.419 365 V HA 0.179 4.299 4.120 -0.000 0.000 0.287 365 V C 0.771 176.740 176.094 -0.208 0.000 1.017 365 V CA -0.309 61.888 62.300 -0.172 0.000 0.844 365 V CB 1.521 33.289 31.823 -0.091 0.000 1.011 365 V HN 0.378 nan 8.190 nan 0.000 0.429 366 S N 3.279 118.868 115.700 -0.184 0.000 2.478 366 S HA 0.063 4.533 4.470 -0.000 0.000 0.222 366 S C 1.069 175.624 174.600 -0.075 0.000 1.008 366 S CA -0.071 58.036 58.200 -0.156 0.000 0.928 366 S CB 0.009 63.124 63.200 -0.142 0.000 0.781 366 S HN 0.678 nan 8.310 nan 0.000 0.518 367 R N 1.349 121.814 120.500 -0.057 0.000 2.566 367 R HA -0.020 4.320 4.340 -0.000 0.000 0.273 367 R C 0.014 176.311 176.300 -0.006 0.000 0.981 367 R CA 0.116 56.205 56.100 -0.020 0.000 1.091 367 R CB -0.233 30.057 30.300 -0.017 0.000 0.924 367 R HN 0.480 nan 8.270 nan 0.000 0.411 368 C N 7.003 126.315 119.300 0.020 0.000 2.592 368 C HA 0.270 4.730 4.460 -0.000 0.000 0.408 368 C C 0.536 175.556 174.990 0.051 0.000 1.436 368 C CA -0.482 58.557 59.018 0.035 0.000 1.595 368 C CB -2.132 25.642 27.740 0.056 0.000 2.487 368 C HN 0.778 nan 8.230 nan 0.000 0.610 369 C N 6.104 125.438 119.300 0.056 0.000 3.241 369 C HA 0.971 5.431 4.460 -0.000 0.000 0.312 369 C C -0.988 174.079 174.990 0.127 0.000 1.350 369 C CA -0.508 58.571 59.018 0.101 0.000 1.415 369 C CB 1.790 29.583 27.740 0.088 0.000 1.770 369 C HN 0.902 nan 8.230 nan 0.000 0.466 370 E N -0.765 119.548 120.200 0.188 0.000 2.432 370 E HA 0.465 4.814 4.350 -0.000 0.000 0.279 370 E C -1.203 175.580 176.600 0.305 0.000 1.099 370 E CA -0.491 56.006 56.400 0.162 0.000 0.859 370 E CB 1.148 30.830 29.700 -0.030 0.000 1.402 370 E HN 0.930 nan 8.360 nan 0.000 0.451 371 F N -0.813 119.315 119.950 0.297 0.000 2.905 371 F HA -0.164 4.363 4.527 0.000 0.000 0.291 371 F C -2.082 173.845 175.800 0.211 0.000 1.002 371 F CA 0.379 58.508 58.000 0.215 0.000 0.978 371 F CB -1.542 37.575 39.000 0.195 0.000 1.036 371 F HN 0.043 nan 8.300 nan 0.000 0.820 372 P HA 0.425 nan 4.420 nan 0.000 0.275 372 P C -0.199 177.270 177.300 0.281 0.000 1.228 372 P CA 0.008 63.283 63.100 0.292 0.000 0.786 372 P CB 2.345 34.191 31.700 0.244 0.000 0.927 373 V N 3.125 123.222 119.914 0.305 0.000 3.007 373 V HA 0.462 4.582 4.120 -0.000 0.000 0.311 373 V C -0.132 176.155 176.094 0.322 0.000 1.120 373 V CA -0.751 61.729 62.300 0.299 0.000 0.980 373 V CB 2.824 34.842 31.823 0.325 0.000 1.033 373 V HN 0.330 nan 8.190 nan 0.000 0.429 374 V N 1.938 121.977 119.914 0.209 0.000 3.078 374 V HA 0.458 4.578 4.120 -0.000 0.000 0.311 374 V C -0.515 175.584 176.094 0.010 0.000 1.138 374 V CA -0.841 61.534 62.300 0.124 0.000 1.007 374 V CB 2.216 34.016 31.823 -0.038 0.000 1.045 374 V HN 0.939 nan 8.190 nan 0.000 0.432 375 H N 5.266 124.175 119.070 -0.269 0.000 3.125 375 H HA 0.028 4.584 4.556 -0.000 0.000 0.310 375 H C -1.777 173.518 175.328 -0.055 0.000 0.980 375 H CA -0.747 55.073 56.048 -0.380 0.000 1.422 375 H CB 1.613 31.169 29.762 -0.344 0.000 1.432 375 H HN 0.314 nan 8.280 nan 0.000 0.577 376 P HA -0.167 nan 4.420 nan 0.000 0.217 376 P C 1.210 178.666 177.300 0.261 0.000 1.148 376 P CA 1.158 64.411 63.100 0.255 0.000 0.828 376 P CB 0.381 32.250 31.700 0.282 0.000 0.783 377 Q N -1.168 118.881 119.800 0.414 0.000 2.451 377 Q HA -0.010 4.330 4.340 -0.000 0.000 0.206 377 Q C 1.432 177.432 176.000 0.000 0.000 0.947 377 Q CA 0.923 56.812 55.803 0.143 0.000 0.937 377 Q CB -0.021 28.743 28.738 0.043 0.000 1.025 377 Q HN 0.416 nan 8.270 nan 0.000 0.511 378 Q N -0.384 119.418 119.800 0.002 0.000 2.247 378 Q HA 0.144 4.484 4.340 -0.000 0.000 0.211 378 Q C 0.100 176.035 176.000 -0.109 0.000 0.861 378 Q CA -0.131 55.632 55.803 -0.067 0.000 0.949 378 Q CB 0.871 29.580 28.738 -0.048 0.000 1.115 378 Q HN 0.054 nan 8.270 nan 0.000 0.507 379 V N 1.428 121.299 119.914 -0.071 0.000 2.493 379 V HA 0.178 4.298 4.120 -0.000 0.000 0.292 379 V C 1.433 177.462 176.094 -0.108 0.000 1.016 379 V CA 1.432 63.665 62.300 -0.113 0.000 1.097 379 V CB 0.174 31.957 31.823 -0.067 0.000 0.947 379 V HN 0.692 nan 8.190 nan 0.000 0.479 380 G N 4.410 113.136 108.800 -0.124 0.000 2.179 380 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.260 380 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.260 380 G C 0.253 175.162 174.900 0.017 0.000 0.977 380 G CA -0.064 44.999 45.100 -0.062 0.000 0.641 380 G HN 0.548 nan 8.290 nan 0.000 0.533 381 R N 0.018 120.501 120.500 -0.028 0.000 2.832 381 R HA 0.567 4.907 4.340 -0.000 0.000 0.271 381 R C -2.767 173.385 176.300 -0.247 0.000 0.996 381 R CA -2.627 53.434 56.100 -0.065 0.000 0.977 381 R CB 0.366 30.606 30.300 -0.101 0.000 1.168 381 R HN -0.000 nan 8.270 nan 0.000 0.482 382 P HA -0.021 nan 4.420 nan 0.000 0.262 382 P C -1.116 175.867 177.300 -0.528 0.000 1.182 382 P CA 0.620 62.989 63.100 -1.219 0.000 0.761 382 P CB 0.012 31.288 31.700 -0.706 0.000 0.795 383 Y N 0.544 120.411 120.300 -0.721 0.000 2.625 383 Y HA 0.631 5.181 4.550 -0.000 0.000 0.338 383 Y C 0.686 176.388 175.900 -0.330 0.000 1.123 383 Y CA -1.208 56.667 58.100 -0.374 0.000 1.046 383 Y CB 1.560 39.887 38.460 -0.222 0.000 1.299 383 Y HN 0.141 nan 8.280 nan 0.000 0.464 384 R N -0.155 120.081 120.500 -0.441 0.000 2.225 384 R HA 0.318 4.658 4.340 -0.000 0.000 0.194 384 R C -1.144 174.653 176.300 -0.839 0.000 0.949 384 R CA 0.119 55.770 56.100 -0.749 0.000 1.088 384 R CB 0.463 30.229 30.300 -0.889 0.000 1.106 384 R HN 0.711 nan 8.270 nan 0.000 0.566 385 Y N -0.082 120.098 120.300 -0.200 0.000 2.376 385 Y HA 0.490 5.040 4.550 -0.000 0.000 0.340 385 Y C -0.618 175.154 175.900 -0.213 0.000 0.965 385 Y CA -1.006 56.924 58.100 -0.283 0.000 1.078 385 Y CB 2.090 40.357 38.460 -0.323 0.000 1.193 385 Y HN -0.277 nan 8.280 nan 0.000 0.452 386 V N 4.875 124.705 119.914 -0.140 0.000 2.680 386 V HA 0.606 4.726 4.120 -0.000 0.000 0.309 386 V C -1.734 174.189 176.094 -0.285 0.000 1.052 386 V CA -0.941 61.332 62.300 -0.045 0.000 0.908 386 V CB 1.384 33.325 31.823 0.197 0.000 1.001 386 V HN 0.662 nan 8.190 nan 0.000 0.431 387 Y N 5.903 126.322 120.300 0.199 0.000 2.393 387 Y HA 0.789 5.339 4.550 -0.000 0.000 0.341 387 Y C 0.231 176.249 175.900 0.197 0.000 0.988 387 Y CA -0.694 57.515 58.100 0.183 0.000 1.078 387 Y CB 2.107 40.680 38.460 0.189 0.000 1.203 387 Y HN 0.486 nan 8.280 nan 0.000 0.453 388 M N 1.195 120.989 119.600 0.324 0.000 2.575 388 M HA 0.554 5.034 4.480 -0.000 0.000 0.284 388 M C 0.057 176.529 176.300 0.287 0.000 1.253 388 M CA -0.909 54.571 55.300 0.300 0.000 0.861 388 M CB 2.519 35.261 32.600 0.237 0.000 1.733 388 M HN 0.852 nan 8.290 nan 0.000 0.462 389 G N 0.836 109.840 108.800 0.340 0.000 2.467 389 G HA2 0.675 4.635 3.960 -0.000 0.000 0.257 389 G HA3 0.675 4.635 3.960 -0.000 0.000 0.257 389 G C -1.088 173.962 174.900 0.250 0.000 1.227 389 G CA -0.203 45.083 45.100 0.311 0.000 0.835 389 G HN 0.848 nan 8.290 nan 0.000 0.556 390 A N 0.339 123.272 122.820 0.189 0.000 2.606 390 A HA 0.855 5.175 4.320 -0.000 0.000 0.293 390 A C 0.088 177.724 177.584 0.086 0.000 1.082 390 A CA -0.087 52.026 52.037 0.127 0.000 0.685 390 A CB 0.991 20.049 19.000 0.096 0.000 1.284 390 A HN 2.085 nan 8.150 nan 0.000 0.408 391 A N -0.141 122.708 122.820 0.049 0.000 2.498 391 A HA 0.389 4.709 4.320 -0.000 0.000 0.239 391 A C 0.904 178.505 177.584 0.030 0.000 1.068 391 A CA 0.880 52.929 52.037 0.020 0.000 0.766 391 A CB -0.379 18.633 19.000 0.020 0.000 1.003 391 A HN 1.534 nan 8.150 nan 0.000 0.497 392 H N 1.341 120.360 119.070 -0.085 0.000 2.319 392 H HA -0.114 4.442 4.556 -0.000 0.000 0.299 392 H C 0.632 175.858 175.328 -0.170 0.000 1.092 392 H CA 2.208 58.161 56.048 -0.159 0.000 1.302 392 H CB -0.068 29.536 29.762 -0.263 0.000 1.373 392 H HN 0.745 nan 8.280 nan 0.000 0.497 393 H N -0.530 118.567 119.070 0.045 0.000 2.562 393 H HA 0.072 4.628 4.556 -0.000 0.000 0.352 393 H C 1.386 176.690 175.328 -0.039 0.000 1.125 393 H CA 0.620 56.661 56.048 -0.010 0.000 1.379 393 H CB 1.610 31.424 29.762 0.087 0.000 1.464 393 H HN 0.464 nan 8.280 nan 0.000 0.563 394 S N 0.387 116.149 115.700 0.102 0.000 2.562 394 S HA -0.079 4.391 4.470 -0.000 0.000 0.221 394 S C 1.304 175.924 174.600 0.033 0.000 0.975 394 S CA 0.861 59.079 58.200 0.029 0.000 0.918 394 S CB -0.089 63.109 63.200 -0.004 0.000 0.772 394 S HN 0.731 nan 8.310 nan 0.000 0.531 395 T N -2.937 111.651 114.554 0.056 0.000 2.955 395 T HA 0.479 4.829 4.350 -0.000 0.000 0.251 395 T C 1.043 175.771 174.700 0.045 0.000 1.002 395 T CA 0.232 62.350 62.100 0.031 0.000 0.970 395 T CB 0.047 68.919 68.868 0.007 0.000 1.091 395 T HN 0.406 nan 8.240 nan 0.000 0.495 396 G N 1.226 110.069 108.800 0.071 0.000 2.736 396 G HA2 0.557 4.517 3.960 -0.000 0.000 0.229 396 G HA3 0.557 4.517 3.960 -0.000 0.000 0.229 396 G C -1.027 173.931 174.900 0.097 0.000 1.380 396 G CA -0.769 44.380 45.100 0.082 0.000 1.040 396 G HN 0.296 nan 8.290 nan 0.000 0.568 397 N N -0.668 118.108 118.700 0.126 0.000 2.430 397 N HA 0.668 5.408 4.740 -0.000 0.000 0.292 397 N C -0.399 175.177 175.510 0.109 0.000 1.051 397 N CA 0.237 53.379 53.050 0.153 0.000 0.917 397 N CB 1.624 40.244 38.487 0.221 0.000 1.164 397 N HN 0.837 nan 8.380 nan 0.000 0.484 398 A N 2.730 125.496 122.820 -0.089 0.000 2.566 398 A HA 0.580 4.899 4.320 -0.000 0.000 0.290 398 A C -2.949 173.968 177.584 -1.112 0.000 1.071 398 A CA -1.009 50.608 52.037 -0.700 0.000 0.658 398 A CB 0.486 19.245 19.000 -0.401 0.000 1.285 398 A HN 0.540 nan 8.150 nan 0.000 0.427 399 P HA 0.323 nan 4.420 nan 0.000 0.267 399 P C -0.590 176.498 177.300 -0.354 0.000 1.200 399 P CA 0.090 62.539 63.100 -1.086 0.000 0.772 399 P CB 0.195 31.291 31.700 -1.006 0.000 0.855 400 L N 3.033 124.223 121.223 -0.055 0.000 2.462 400 L HA 0.038 4.378 4.340 -0.000 0.000 0.272 400 L C 1.419 178.344 176.870 0.092 0.000 1.166 400 L CA 0.715 55.600 54.840 0.076 0.000 0.880 400 L CB -0.260 41.927 42.059 0.213 0.000 1.142 400 L HN 0.457 nan 8.230 nan 0.000 0.473 401 Q N 2.451 122.279 119.800 0.046 0.000 2.113 401 Q HA 0.389 4.729 4.340 -0.000 0.000 0.225 401 Q C -0.299 175.806 176.000 0.176 0.000 0.786 401 Q CA -0.183 55.625 55.803 0.010 0.000 0.989 401 Q CB 1.771 30.410 28.738 -0.164 0.000 1.174 401 Q HN 0.803 nan 8.270 nan 0.000 0.470 402 A N 1.042 123.981 122.820 0.200 0.000 2.566 402 A HA 0.743 5.063 4.320 -0.000 0.000 0.292 402 A C -1.567 176.159 177.584 0.237 0.000 1.112 402 A CA -0.697 51.468 52.037 0.213 0.000 0.707 402 A CB 1.185 20.233 19.000 0.079 0.000 1.302 402 A HN 0.248 nan 8.150 nan 0.000 0.409 403 I N -0.354 120.354 120.570 0.229 0.000 2.441 403 I HA 0.800 4.970 4.170 -0.000 0.000 0.295 403 I C -1.364 174.846 176.117 0.156 0.000 0.994 403 I CA -0.735 60.695 61.300 0.216 0.000 1.144 403 I CB 1.635 39.789 38.000 0.257 0.000 1.314 403 I HN 0.566 nan 8.210 nan 0.000 0.445 404 L N 6.784 128.109 121.223 0.170 0.000 2.325 404 L HA 0.568 4.908 4.340 -0.000 0.000 0.281 404 L C -0.800 176.160 176.870 0.150 0.000 1.004 404 L CA -0.328 54.587 54.840 0.124 0.000 0.823 404 L CB 1.185 43.299 42.059 0.092 0.000 1.236 404 L HN 0.791 nan 8.230 nan 0.000 0.415 405 K N 4.787 125.257 120.400 0.118 0.000 2.240 405 K HA 0.619 4.939 4.320 -0.000 0.000 0.271 405 K C -1.652 174.950 176.600 0.002 0.000 1.018 405 K CA -0.607 55.717 56.287 0.061 0.000 0.874 405 K CB 1.250 33.827 32.500 0.129 0.000 1.098 405 K HN 0.537 nan 8.250 nan 0.000 0.458 406 V N 3.796 123.679 119.914 -0.052 0.000 2.384 406 V HA 0.125 4.245 4.120 -0.000 0.000 0.287 406 V C -0.400 175.670 176.094 -0.040 0.000 1.020 406 V CA -0.916 61.359 62.300 -0.042 0.000 0.850 406 V CB 1.432 33.222 31.823 -0.055 0.000 0.987 406 V HN 0.766 nan 8.190 nan 0.000 0.436 407 D N 4.259 124.643 120.400 -0.027 0.000 2.380 407 D HA 0.286 4.926 4.640 -0.000 0.000 0.230 407 D C 0.704 176.877 176.300 -0.212 0.000 1.154 407 D CA -0.129 53.797 54.000 -0.123 0.000 0.859 407 D CB 1.450 42.241 40.800 -0.014 0.000 1.045 407 D HN 0.456 nan 8.370 nan 0.000 0.495 408 L N 2.805 123.830 121.223 -0.330 0.000 2.492 408 L HA 0.066 4.406 4.340 -0.000 0.000 0.223 408 L C 1.893 178.605 176.870 -0.263 0.000 1.132 408 L CA 0.485 55.146 54.840 -0.298 0.000 0.850 408 L CB 0.123 41.938 42.059 -0.406 0.000 0.966 408 L HN 0.389 nan 8.230 nan 0.000 0.454 409 E N -0.456 119.569 120.200 -0.291 0.000 2.166 409 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 409 E C 2.106 178.615 176.600 -0.152 0.000 0.967 409 E CA 1.132 57.401 56.400 -0.219 0.000 0.840 409 E CB 0.189 29.742 29.700 -0.245 0.000 0.795 409 E HN 0.407 nan 8.360 nan 0.000 0.470 410 S N -0.755 114.860 115.700 -0.142 0.000 2.517 410 S HA 0.193 4.663 4.470 -0.000 0.000 0.214 410 S C 1.590 176.139 174.600 -0.085 0.000 0.991 410 S CA 0.328 58.472 58.200 -0.093 0.000 0.906 410 S CB 0.685 63.845 63.200 -0.067 0.000 0.789 410 S HN 0.307 nan 8.310 nan 0.000 0.513 411 G N 0.907 109.645 108.800 -0.103 0.000 2.176 411 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.252 411 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.252 411 G C 0.049 174.908 174.900 -0.069 0.000 1.024 411 G CA 0.386 45.432 45.100 -0.091 0.000 0.755 411 G HN 0.602 nan 8.290 nan 0.000 0.507 412 T N 0.906 115.427 114.554 -0.055 0.000 2.837 412 T HA 0.555 4.905 4.350 -0.000 0.000 0.285 412 T C 0.136 174.823 174.700 -0.022 0.000 0.984 412 T CA 0.184 62.265 62.100 -0.031 0.000 1.049 412 T CB 1.264 70.126 68.868 -0.010 0.000 0.947 412 T HN 0.612 nan 8.240 nan 0.000 0.472 413 E N 0.839 121.026 120.200 -0.021 0.000 2.248 413 E HA 0.609 4.959 4.350 -0.000 0.000 0.267 413 E C -1.028 175.567 176.600 -0.008 0.000 0.877 413 E CA -1.069 55.323 56.400 -0.013 0.000 0.759 413 E CB 1.424 31.109 29.700 -0.025 0.000 1.182 413 E HN 0.536 nan 8.360 nan 0.000 0.418 414 T N 0.876 115.434 114.554 0.006 0.000 2.888 414 T HA 0.618 4.968 4.350 -0.000 0.000 0.284 414 T C -0.577 174.125 174.700 0.004 0.000 1.017 414 T CA -0.916 61.186 62.100 0.002 0.000 1.022 414 T CB 1.408 70.283 68.868 0.013 0.000 1.013 414 T HN 0.395 nan 8.240 nan 0.000 0.465 415 L N 1.639 122.848 121.223 -0.023 0.000 2.386 415 L HA 0.831 5.171 4.340 -0.000 0.000 0.271 415 L C -0.695 176.135 176.870 -0.067 0.000 0.993 415 L CA -0.846 53.972 54.840 -0.037 0.000 0.819 415 L CB 2.096 44.109 42.059 -0.076 0.000 1.294 415 L HN 0.829 nan 8.230 nan 0.000 0.414 416 R N 2.814 123.269 120.500 -0.074 0.000 2.435 416 R HA 0.621 4.961 4.340 -0.000 0.000 0.308 416 R C -1.481 174.636 176.300 -0.304 0.000 0.975 416 R CA -0.153 55.833 56.100 -0.190 0.000 0.867 416 R CB 1.454 31.667 30.300 -0.146 0.000 1.171 416 R HN 0.628 nan 8.270 nan 0.000 0.470 417 S N 3.491 118.978 115.700 -0.356 0.000 2.565 417 S HA 0.525 4.995 4.470 -0.000 0.000 0.290 417 S C -0.417 173.865 174.600 -0.530 0.000 1.150 417 S CA -0.544 57.508 58.200 -0.248 0.000 1.058 417 S CB 0.425 63.632 63.200 0.011 0.000 1.032 417 S HN 0.584 nan 8.310 nan 0.000 0.510 418 F N 1.855 121.790 119.950 -0.025 0.000 2.683 418 F HA 0.447 4.974 4.527 -0.000 0.000 0.306 418 F C 1.109 176.818 175.800 -0.153 0.000 1.102 418 F CA -0.406 57.555 58.000 -0.066 0.000 1.244 418 F CB -0.057 38.915 39.000 -0.047 0.000 1.029 418 F HN 0.598 nan 8.300 nan 0.000 0.545 419 A N 1.310 124.074 122.820 -0.093 0.000 2.406 419 A HA 0.370 4.690 4.320 -0.000 0.000 0.243 419 A C -1.276 176.137 177.584 -0.285 0.000 1.082 419 A CA -0.752 51.109 52.037 -0.295 0.000 0.786 419 A CB -0.107 18.591 19.000 -0.504 0.000 1.029 419 A HN 0.120 nan 8.150 nan 0.000 0.495 420 P HA 0.083 nan 4.420 nan 0.000 0.234 420 P C 0.428 177.483 177.300 -0.408 0.000 1.175 420 P CA 1.227 64.064 63.100 -0.439 0.000 0.801 420 P CB 0.067 31.460 31.700 -0.510 0.000 0.891 421 H N -1.294 117.732 119.070 -0.073 0.000 2.592 421 H HA 0.322 4.878 4.556 -0.000 0.000 0.265 421 H C 1.223 176.563 175.328 0.020 0.000 0.955 421 H CA 0.014 56.088 56.048 0.043 0.000 1.175 421 H CB 0.128 29.922 29.762 0.054 0.000 1.433 421 H HN 0.082 nan 8.280 nan 0.000 0.537 422 G N -0.156 108.608 108.800 -0.060 0.000 2.389 422 G HA2 0.468 4.428 3.960 -0.000 0.000 0.317 422 G HA3 0.468 4.428 3.960 -0.000 0.000 0.317 422 G C -1.144 173.570 174.900 -0.309 0.000 1.137 422 G CA -0.350 44.740 45.100 -0.017 0.000 0.870 422 G HN 0.104 nan 8.290 nan 0.000 0.496 423 F N 0.383 120.468 119.950 0.225 0.000 2.561 423 F HA 0.645 5.172 4.527 -0.000 0.000 0.313 423 F C 0.523 176.443 175.800 0.201 0.000 1.126 423 F CA -0.649 57.517 58.000 0.277 0.000 0.918 423 F CB 2.387 41.685 39.000 0.496 0.000 1.199 423 F HN 0.714 nan 8.300 nan 0.000 0.444 424 A N 1.436 124.425 122.820 0.282 0.000 2.284 424 A HA 0.998 5.318 4.320 -0.000 0.000 0.317 424 A C 0.016 177.706 177.584 0.177 0.000 1.120 424 A CA -0.015 52.120 52.037 0.163 0.000 0.900 424 A CB 1.042 20.141 19.000 0.165 0.000 1.319 424 A HN 0.971 nan 8.150 nan 0.000 0.494 425 G N -1.306 107.535 108.800 0.069 0.000 2.933 425 G HA2 0.465 4.425 3.960 -0.000 0.000 0.203 425 G HA3 0.465 4.425 3.960 -0.000 0.000 0.203 425 G C -1.018 173.741 174.900 -0.235 0.000 1.170 425 G CA -0.156 44.873 45.100 -0.117 0.000 0.880 425 G HN 0.788 nan 8.290 nan 0.000 0.573 426 E N 2.151 122.006 120.200 -0.574 0.000 2.180 426 E HA 0.344 4.694 4.350 -0.000 0.000 0.283 426 E C -2.108 174.465 176.600 -0.046 0.000 1.061 426 E CA -1.680 54.531 56.400 -0.315 0.000 0.861 426 E CB 1.105 30.549 29.700 -0.428 0.000 1.056 426 E HN 0.115 nan 8.360 nan 0.000 0.407 427 P HA 0.181 nan 4.420 nan 0.000 0.275 427 P C -0.657 176.689 177.300 0.078 0.000 1.228 427 P CA -0.242 62.898 63.100 0.066 0.000 0.786 427 P CB 0.927 32.704 31.700 0.128 0.000 0.927 428 I N 2.960 123.539 120.570 0.014 0.000 2.436 428 I HA 0.276 4.446 4.170 -0.000 0.000 0.289 428 I C -0.227 175.863 176.117 -0.046 0.000 1.010 428 I CA -0.848 60.484 61.300 0.053 0.000 1.098 428 I CB 1.198 39.249 38.000 0.086 0.000 1.266 428 I HN 0.313 nan 8.210 nan 0.000 0.434 429 F N 7.711 127.584 119.950 -0.129 0.000 2.421 429 F HA 0.397 4.924 4.527 -0.000 0.000 0.358 429 F C 0.209 175.861 175.800 -0.247 0.000 1.115 429 F CA -0.536 57.316 58.000 -0.247 0.000 1.160 429 F CB 0.868 39.738 39.000 -0.218 0.000 1.123 429 F HN 0.221 nan 8.300 nan 0.000 0.508 430 V N 5.689 125.092 119.914 -0.853 0.000 2.328 430 V HA 0.537 4.657 4.120 -0.000 0.000 0.278 430 V C -2.707 172.955 176.094 -0.719 0.000 1.021 430 V CA -2.741 59.072 62.300 -0.811 0.000 0.838 430 V CB 0.642 31.703 31.823 -1.271 0.000 0.999 430 V HN 0.561 nan 8.190 nan 0.000 0.447 431 P HA 0.149 nan 4.420 nan 0.000 0.265 431 P C -0.265 176.916 177.300 -0.198 0.000 1.193 431 P CA -0.100 62.888 63.100 -0.187 0.000 0.765 431 P CB 0.405 32.179 31.700 0.124 0.000 0.823 432 R N 5.079 125.300 120.500 -0.464 0.000 2.351 432 R HA 0.167 4.507 4.340 -0.000 0.000 0.318 432 R C -2.120 174.145 176.300 -0.059 0.000 1.055 432 R CA -1.577 54.240 56.100 -0.471 0.000 0.968 432 R CB -0.454 29.455 30.300 -0.652 0.000 0.974 432 R HN 0.351 nan 8.270 nan 0.000 0.439 433 P HA -0.018 nan 4.420 nan 0.000 0.258 433 P C 0.153 177.498 177.300 0.075 0.000 1.172 433 P CA 1.201 64.373 63.100 0.121 0.000 0.762 433 P CB 0.691 32.487 31.700 0.160 0.000 0.764 434 G N 2.388 111.233 108.800 0.075 0.000 2.143 434 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.249 434 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.249 434 G C 0.594 175.516 174.900 0.037 0.000 0.981 434 G CA -0.319 44.814 45.100 0.055 0.000 0.665 434 G HN 0.867 nan 8.290 nan 0.000 0.528 435 G N -1.097 107.724 108.800 0.035 0.000 2.569 435 G HA2 0.602 4.562 3.960 -0.000 0.000 0.249 435 G HA3 0.602 4.562 3.960 -0.000 0.000 0.249 435 G C 1.210 176.136 174.900 0.044 0.000 1.216 435 G CA 0.673 45.785 45.100 0.020 0.000 0.845 435 G HN 1.254 nan 8.290 nan 0.000 0.568 436 V N -0.861 119.070 119.914 0.028 0.000 2.806 436 V HA 0.537 4.657 4.120 -0.000 0.000 0.239 436 V C 1.600 177.711 176.094 0.029 0.000 1.113 436 V CA 0.834 63.148 62.300 0.024 0.000 1.137 436 V CB -1.103 30.727 31.823 0.012 0.000 0.865 436 V HN 0.948 nan 8.190 nan 0.000 0.482 437 A N 1.057 123.900 122.820 0.039 0.000 2.498 437 A HA 0.171 4.491 4.320 -0.000 0.000 0.239 437 A C 1.363 179.015 177.584 0.115 0.000 1.068 437 A CA 0.607 52.684 52.037 0.066 0.000 0.766 437 A CB 0.115 19.147 19.000 0.053 0.000 1.003 437 A HN 0.614 nan 8.150 nan 0.000 0.497 438 E N 0.860 121.144 120.200 0.141 0.000 2.204 438 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 438 E C 0.382 177.178 176.600 0.328 0.000 0.990 438 E CA 1.500 58.003 56.400 0.173 0.000 0.821 438 E CB 0.051 29.861 29.700 0.182 0.000 0.750 438 E HN 0.813 nan 8.360 nan 0.000 0.477 439 D N -0.047 120.473 120.400 0.199 0.000 2.388 439 D HA -0.040 4.600 4.640 -0.000 0.000 0.221 439 D C -0.251 176.144 176.300 0.160 0.000 1.133 439 D CA -0.188 53.880 54.000 0.114 0.000 0.831 439 D CB -0.134 40.375 40.800 -0.485 0.000 0.962 439 D HN -0.079 nan 8.370 nan 0.000 0.502 440 D N 0.655 121.162 120.400 0.180 0.000 2.435 440 D HA 0.447 5.087 4.640 -0.000 0.000 0.230 440 D C 0.337 176.520 176.300 -0.196 0.000 1.215 440 D CA 0.264 54.249 54.000 -0.026 0.000 0.947 440 D CB 0.151 40.948 40.800 -0.005 0.000 1.048 440 D HN 0.366 nan 8.370 nan 0.000 0.512 441 G N 2.139 110.609 108.800 -0.551 0.000 2.335 441 G HA2 0.203 4.163 3.960 -0.000 0.000 0.291 441 G HA3 0.203 4.163 3.960 -0.000 0.000 0.291 441 G C -1.636 172.557 174.900 -1.178 0.000 1.261 441 G CA -0.831 43.596 45.100 -1.122 0.000 0.871 441 G HN 0.183 nan 8.290 nan 0.000 0.491 442 W N 0.081 120.871 121.300 -0.849 0.000 2.761 442 W HA 0.662 5.322 4.660 -0.000 0.000 0.340 442 W C -0.707 175.366 176.519 -0.742 0.000 1.072 442 W CA -0.732 56.220 57.345 -0.656 0.000 1.215 442 W CB 1.849 30.957 29.460 -0.587 0.000 1.420 442 W HN 0.314 nan 8.180 nan 0.000 0.519 443 L N 3.411 124.462 121.223 -0.287 0.000 2.282 443 L HA 0.440 4.780 4.340 -0.000 0.000 0.288 443 L C -0.225 176.514 176.870 -0.219 0.000 1.033 443 L CA -0.795 53.880 54.840 -0.274 0.000 0.807 443 L CB 0.903 42.845 42.059 -0.194 0.000 1.209 443 L HN 0.141 nan 8.230 nan 0.000 0.423 444 L N 3.618 124.695 121.223 -0.244 0.000 2.265 444 L HA 0.428 4.767 4.340 -0.000 0.000 0.289 444 L C -0.911 175.861 176.870 -0.163 0.000 1.033 444 L CA -0.380 54.311 54.840 -0.249 0.000 0.814 444 L CB 1.247 43.112 42.059 -0.323 0.000 1.203 444 L HN 0.633 nan 8.230 nan 0.000 0.423 445 C N 4.511 123.715 119.300 -0.160 0.000 2.344 445 C HA 0.393 4.853 4.460 -0.000 0.000 0.326 445 C C 0.073 174.954 174.990 -0.181 0.000 1.201 445 C CA -0.848 58.093 59.018 -0.128 0.000 1.410 445 C CB 0.976 28.672 27.740 -0.075 0.000 2.070 445 C HN 0.553 nan 8.230 nan 0.000 0.445 446 L N 5.579 126.720 121.223 -0.137 0.000 2.361 446 L HA 0.521 4.861 4.340 -0.000 0.000 0.278 446 L C -0.460 176.343 176.870 -0.111 0.000 1.113 446 L CA 0.506 55.278 54.840 -0.113 0.000 0.849 446 L CB -0.071 41.976 42.059 -0.020 0.000 1.155 446 L HN 0.461 nan 8.230 nan 0.000 0.452 447 I N 6.007 126.478 120.570 -0.166 0.000 2.433 447 I HA 0.208 4.378 4.170 -0.000 0.000 0.292 447 I C -0.640 175.471 176.117 -0.009 0.000 1.001 447 I CA -0.677 60.512 61.300 -0.184 0.000 1.119 447 I CB 1.268 38.943 38.000 -0.540 0.000 1.289 447 I HN 0.534 nan 8.210 nan 0.000 0.438 448 Y N 7.002 127.338 120.300 0.061 0.000 2.323 448 Y HA 0.423 4.973 4.550 -0.000 0.000 0.331 448 Y C -0.373 175.654 175.900 0.211 0.000 1.092 448 Y CA -0.498 57.668 58.100 0.110 0.000 1.150 448 Y CB 0.952 39.490 38.460 0.129 0.000 1.200 448 Y HN 0.329 nan 8.280 nan 0.000 0.472 449 K N 5.832 125.704 120.400 -0.879 0.000 2.449 449 K HA 0.454 4.774 4.320 -0.000 0.000 0.257 449 K C 0.182 176.315 176.600 -0.777 0.000 0.989 449 K CA -0.103 55.855 56.287 -0.548 0.000 0.916 449 K CB 1.619 33.960 32.500 -0.265 0.000 1.136 449 K HN 0.838 nan 8.250 nan 0.000 0.439 450 A N 2.449 125.096 122.820 -0.289 0.000 2.119 450 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 450 A C 1.459 179.075 177.584 0.053 0.000 1.153 450 A CA 1.453 53.539 52.037 0.082 0.000 0.692 450 A CB -0.197 19.120 19.000 0.528 0.000 0.799 450 A HN 0.719 nan 8.150 nan 0.000 0.458 451 D N 0.170 120.524 120.400 -0.077 0.000 2.194 451 D HA -0.080 4.560 4.640 -0.000 0.000 0.204 451 D C 1.475 177.709 176.300 -0.110 0.000 0.964 451 D CA 0.965 54.839 54.000 -0.210 0.000 0.846 451 D CB -0.434 40.057 40.800 -0.515 0.000 0.962 451 D HN 0.473 nan 8.370 nan 0.000 0.490 452 L N -1.386 119.781 121.223 -0.094 0.000 2.609 452 L HA 0.185 4.525 4.340 -0.000 0.000 0.230 452 L C 0.705 177.596 176.870 0.034 0.000 1.087 452 L CA -0.111 54.698 54.840 -0.051 0.000 0.874 452 L CB -0.504 41.502 42.059 -0.089 0.000 1.114 452 L HN 0.159 nan 8.230 nan 0.000 0.488 453 H N 1.541 120.551 119.070 -0.100 0.000 2.713 453 H HA -0.159 4.397 4.556 -0.000 0.000 0.311 453 H C -0.272 175.092 175.328 0.061 0.000 1.175 453 H CA 0.092 56.152 56.048 0.021 0.000 1.143 453 H CB -0.417 29.368 29.762 0.038 0.000 1.434 453 H HN 0.396 nan 8.280 nan 0.000 0.418 454 R N 0.168 120.590 120.500 -0.130 0.000 2.837 454 R HA 0.556 4.896 4.340 -0.000 0.000 0.271 454 R C -0.597 175.619 176.300 -0.140 0.000 0.993 454 R CA -0.677 55.337 56.100 -0.144 0.000 0.931 454 R CB 2.177 32.370 30.300 -0.178 0.000 1.206 454 R HN 0.015 nan 8.270 nan 0.000 0.474 455 S N 0.992 116.615 115.700 -0.128 0.000 2.638 455 S HA 0.379 4.849 4.470 -0.000 0.000 0.298 455 S C -0.817 173.674 174.600 -0.182 0.000 1.111 455 S CA -0.902 57.239 58.200 -0.097 0.000 1.027 455 S CB 1.583 64.753 63.200 -0.049 0.000 1.064 455 S HN 0.597 nan 8.310 nan 0.000 0.525 456 E N 0.540 120.649 120.200 -0.151 0.000 2.343 456 E HA 0.489 4.839 4.350 -0.000 0.000 0.278 456 E C -1.704 174.788 176.600 -0.181 0.000 0.910 456 E CA -0.948 55.356 56.400 -0.161 0.000 0.757 456 E CB 1.218 30.830 29.700 -0.146 0.000 1.218 456 E HN 0.315 nan 8.360 nan 0.000 0.435 457 L N 2.781 123.872 121.223 -0.219 0.000 2.261 457 L HA 0.261 4.601 4.340 -0.000 0.000 0.289 457 L C -1.111 175.622 176.870 -0.228 0.000 1.059 457 L CA -0.460 54.187 54.840 -0.321 0.000 0.816 457 L CB 1.265 42.934 42.059 -0.650 0.000 1.191 457 L HN 0.503 nan 8.230 nan 0.000 0.431 458 V N 6.935 126.730 119.914 -0.199 0.000 2.432 458 V HA 0.327 4.447 4.120 -0.000 0.000 0.275 458 V C 0.370 176.392 176.094 -0.121 0.000 1.043 458 V CA -0.386 61.845 62.300 -0.115 0.000 0.925 458 V CB 1.227 33.022 31.823 -0.047 0.000 0.985 458 V HN 0.534 nan 8.190 nan 0.000 0.466 459 I N 6.437 126.939 120.570 -0.113 0.000 2.310 459 I HA 0.334 4.504 4.170 -0.000 0.000 0.287 459 I C -0.226 175.860 176.117 -0.052 0.000 1.073 459 I CA -0.054 61.157 61.300 -0.147 0.000 1.216 459 I CB 0.547 38.398 38.000 -0.248 0.000 1.415 459 I HN 0.380 nan 8.210 nan 0.000 0.480 460 L N 4.598 125.806 121.223 -0.026 0.000 2.357 460 L HA 0.330 4.670 4.340 -0.000 0.000 0.273 460 L C 0.343 177.223 176.870 0.017 0.000 1.080 460 L CA -0.639 54.208 54.840 0.011 0.000 0.803 460 L CB 0.937 43.010 42.059 0.023 0.000 1.174 460 L HN 0.466 nan 8.230 nan 0.000 0.443 461 D N 1.526 121.934 120.400 0.013 0.000 2.358 461 D HA 0.155 4.795 4.640 -0.000 0.000 0.258 461 D C 0.743 176.986 176.300 -0.095 0.000 1.223 461 D CA 0.039 54.005 54.000 -0.057 0.000 0.886 461 D CB 1.817 42.590 40.800 -0.044 0.000 1.120 461 D HN 0.597 nan 8.370 nan 0.000 0.482 462 A N 4.349 127.063 122.820 -0.177 0.000 2.070 462 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 462 A C 1.867 179.436 177.584 -0.025 0.000 1.159 462 A CA 1.142 53.123 52.037 -0.093 0.000 0.656 462 A CB -0.298 18.631 19.000 -0.117 0.000 0.800 462 A HN 0.736 nan 8.150 nan 0.000 0.453 463 Q N -1.207 118.536 119.800 -0.095 0.000 2.230 463 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 463 Q C -0.241 175.721 176.000 -0.065 0.000 0.963 463 Q CA 1.141 56.883 55.803 -0.102 0.000 0.866 463 Q CB 0.092 28.768 28.738 -0.102 0.000 0.931 463 Q HN 0.597 nan 8.270 nan 0.000 0.452 464 D N -0.202 120.173 120.400 -0.042 0.000 2.527 464 D HA 0.073 4.713 4.640 -0.000 0.000 0.242 464 D C 0.445 176.739 176.300 -0.011 0.000 1.285 464 D CA -0.228 53.758 54.000 -0.023 0.000 0.886 464 D CB 0.207 40.992 40.800 -0.026 0.000 1.402 464 D HN 0.165 nan 8.370 nan 0.000 0.528 465 I N 0.216 120.792 120.570 0.010 0.000 2.916 465 I HA -0.034 4.136 4.170 -0.000 0.000 0.267 465 I C 1.413 177.522 176.117 -0.013 0.000 1.263 465 I CA 1.392 62.702 61.300 0.017 0.000 1.471 465 I CB -0.288 37.749 38.000 0.062 0.000 1.089 465 I HN 0.226 nan 8.210 nan 0.000 0.468 466 T N -1.221 113.318 114.554 -0.025 0.000 3.081 466 T HA 0.480 4.830 4.350 -0.000 0.000 0.250 466 T C 0.987 175.662 174.700 -0.042 0.000 1.100 466 T CA 0.138 62.209 62.100 -0.048 0.000 1.038 466 T CB -0.278 68.563 68.868 -0.046 0.000 0.962 466 T HN 0.406 nan 8.240 nan 0.000 0.516 467 A N 3.347 126.151 122.820 -0.027 0.000 2.425 467 A HA 0.542 4.862 4.320 -0.000 0.000 0.242 467 A C -1.900 175.673 177.584 -0.018 0.000 1.077 467 A CA -1.409 50.616 52.037 -0.021 0.000 0.781 467 A CB -0.289 18.702 19.000 -0.015 0.000 1.020 467 A HN 0.363 nan 8.150 nan 0.000 0.494 468 P HA 0.204 nan 4.420 nan 0.000 0.266 468 P C 0.001 177.304 177.300 0.006 0.000 1.193 468 P CA 0.346 63.442 63.100 -0.007 0.000 0.770 468 P CB 0.306 32.003 31.700 -0.005 0.000 0.836 469 A N 3.504 126.334 122.820 0.017 0.000 2.531 469 A HA 0.037 4.357 4.320 -0.000 0.000 0.236 469 A C 1.860 179.451 177.584 0.011 0.000 1.062 469 A CA -0.274 51.776 52.037 0.023 0.000 0.760 469 A CB -0.408 18.614 19.000 0.036 0.000 0.995 469 A HN 0.474 nan 8.150 nan 0.000 0.501 470 I N 0.777 121.353 120.570 0.011 0.000 2.163 470 I HA -0.104 4.066 4.170 -0.000 0.000 0.243 470 I C 1.340 177.442 176.117 -0.024 0.000 1.085 470 I CA 2.314 63.616 61.300 0.003 0.000 1.347 470 I CB -1.904 36.102 38.000 0.010 0.000 1.044 470 I HN 0.727 nan 8.210 nan 0.000 0.408 471 A N -0.402 122.391 122.820 -0.044 0.000 2.594 471 A HA 0.685 5.005 4.320 -0.000 0.000 0.295 471 A C -0.624 176.934 177.584 -0.042 0.000 1.071 471 A CA -0.342 51.670 52.037 -0.041 0.000 0.685 471 A CB 1.392 20.360 19.000 -0.054 0.000 1.285 471 A HN 0.091 nan 8.150 nan 0.000 0.405 472 T N 1.940 116.476 114.554 -0.029 0.000 2.840 472 T HA 0.512 4.862 4.350 -0.000 0.000 0.287 472 T C -1.106 173.571 174.700 -0.039 0.000 0.991 472 T CA -0.277 61.798 62.100 -0.041 0.000 0.964 472 T CB 0.683 69.537 68.868 -0.023 0.000 0.954 472 T HN 0.368 nan 8.240 nan 0.000 0.438 473 L N 3.746 124.934 121.223 -0.059 0.000 2.268 473 L HA 0.425 4.765 4.340 -0.000 0.000 0.289 473 L C 0.527 177.359 176.870 -0.063 0.000 1.064 473 L CA -0.172 54.650 54.840 -0.030 0.000 0.824 473 L CB 0.281 42.336 42.059 -0.006 0.000 1.202 473 L HN 0.444 nan 8.230 nan 0.000 0.433 474 K N 4.403 124.767 120.400 -0.061 0.000 2.257 474 K HA 0.423 4.743 4.320 -0.000 0.000 0.270 474 K C -0.311 176.192 176.600 -0.162 0.000 1.098 474 K CA -0.274 55.948 56.287 -0.109 0.000 0.943 474 K CB 0.513 32.962 32.500 -0.085 0.000 1.316 474 K HN 0.473 nan 8.250 nan 0.000 0.447 475 L N 2.538 123.596 121.223 -0.274 0.000 2.479 475 L HA -0.003 4.337 4.340 -0.000 0.000 0.270 475 L C 1.439 177.993 176.870 -0.527 0.000 1.236 475 L CA 0.193 54.739 54.840 -0.490 0.000 0.823 475 L CB 0.306 41.831 42.059 -0.888 0.000 1.098 475 L HN 0.540 nan 8.230 nan 0.000 0.500 476 K N -0.443 119.552 120.400 -0.676 0.000 2.365 476 K HA -0.055 4.264 4.320 -0.000 0.000 0.199 476 K C -0.351 175.997 176.600 -0.419 0.000 1.045 476 K CA 0.737 56.722 56.287 -0.504 0.000 0.962 476 K CB 0.016 32.184 32.500 -0.553 0.000 0.759 476 K HN 0.659 nan 8.250 nan 0.000 0.469 477 H N -2.988 115.806 119.070 -0.460 0.000 2.933 477 H HA 0.277 4.833 4.556 -0.000 0.000 0.310 477 H C -0.709 174.456 175.328 -0.272 0.000 1.351 477 H CA -1.329 54.512 56.048 -0.345 0.000 1.137 477 H CB 0.435 29.850 29.762 -0.580 0.000 1.853 477 H HN -0.034 nan 8.280 nan 0.000 0.539 478 H N 0.456 119.426 119.070 -0.166 0.000 2.525 478 H HA 0.516 5.072 4.556 -0.000 0.000 0.340 478 H C -0.956 174.374 175.328 0.004 0.000 1.168 478 H CA -1.082 54.880 56.048 -0.144 0.000 1.247 478 H CB 1.158 30.770 29.762 -0.250 0.000 1.568 478 H HN 0.582 nan 8.280 nan 0.000 0.536 479 I N 3.414 123.811 120.570 -0.288 0.000 2.339 479 I HA 0.223 4.393 4.170 -0.000 0.000 0.290 479 I C -2.322 173.559 176.117 -0.394 0.000 0.994 479 I CA -2.304 58.798 61.300 -0.329 0.000 1.191 479 I CB 1.851 39.811 38.000 -0.068 0.000 1.343 479 I HN 0.371 nan 8.210 nan 0.000 0.458 480 P HA -0.049 nan 4.420 nan 0.000 0.267 480 P C -0.996 176.136 177.300 -0.280 0.000 1.200 480 P CA -0.082 62.833 63.100 -0.308 0.000 0.772 480 P CB 0.108 31.769 31.700 -0.065 0.000 0.855 481 Y N 2.508 122.646 120.300 -0.271 0.000 2.863 481 Y HA -0.035 4.515 4.550 -0.000 0.000 0.359 481 Y C -1.485 174.406 175.900 -0.015 0.000 1.312 481 Y CA -0.651 57.331 58.100 -0.196 0.000 1.650 481 Y CB -1.626 36.605 38.460 -0.382 0.000 1.201 481 Y HN 0.398 nan 8.280 nan 0.000 0.531 482 P HA 0.258 nan 4.420 nan 0.000 0.289 482 P C 0.078 177.440 177.300 0.104 0.000 1.299 482 P CA -0.384 62.770 63.100 0.091 0.000 0.766 482 P CB 1.206 32.927 31.700 0.036 0.000 1.226 483 L N -1.174 120.092 121.223 0.072 0.000 2.615 483 L HA 0.303 4.643 4.340 -0.000 0.000 0.206 483 L C 0.951 177.731 176.870 -0.150 0.000 1.581 483 L CA -0.511 54.340 54.840 0.018 0.000 3.015 483 L CB -0.344 41.790 42.059 0.126 0.000 2.814 483 L HN 0.324 nan 8.230 nan 0.000 0.914 484 H N -0.654 118.514 119.070 0.163 0.000 2.496 484 H HA 0.561 5.117 4.556 -0.000 0.000 0.342 484 H C -0.508 174.886 175.328 0.110 0.000 1.170 484 H CA -0.043 56.083 56.048 0.130 0.000 1.274 484 H CB 1.548 31.388 29.762 0.130 0.000 1.538 484 H HN 0.507 nan 8.280 nan 0.000 0.542 485 G N -0.475 108.484 108.800 0.265 0.000 2.827 485 G HA2 0.493 4.453 3.960 -0.000 0.000 0.296 485 G HA3 0.493 4.453 3.960 -0.000 0.000 0.296 485 G C -1.248 173.819 174.900 0.278 0.000 1.362 485 G CA -0.488 44.760 45.100 0.247 0.000 0.809 485 G HN 0.707 nan 8.290 nan 0.000 0.522 486 S N -1.372 114.524 115.700 0.326 0.000 2.547 486 S HA 0.591 5.061 4.470 -0.000 0.000 0.270 486 S C -1.636 173.229 174.600 0.442 0.000 1.150 486 S CA -0.777 57.639 58.200 0.361 0.000 0.850 486 S CB 1.847 65.249 63.200 0.336 0.000 1.118 486 S HN 1.129 nan 8.310 nan 0.000 0.461 487 W N 2.666 124.093 121.300 0.212 0.000 2.349 487 W HA 0.650 5.310 4.660 -0.000 0.000 0.309 487 W C -0.894 175.754 176.519 0.215 0.000 1.083 487 W CA -0.755 56.689 57.345 0.164 0.000 1.224 487 W CB 1.536 31.058 29.460 0.103 0.000 1.256 487 W HN 1.006 nan 8.180 nan 0.000 0.461 488 A N 6.188 128.758 122.820 -0.417 0.000 2.322 488 A HA 0.213 4.533 4.320 -0.000 0.000 0.327 488 A C -0.355 176.755 177.584 -0.790 0.000 1.394 488 A CA -0.515 51.325 52.037 -0.330 0.000 0.921 488 A CB 0.701 19.738 19.000 0.063 0.000 1.153 488 A HN 0.734 nan 8.150 nan 0.000 0.523 489 Q N 2.328 121.760 119.800 -0.614 0.000 2.286 489 Q HA 0.323 4.663 4.340 -0.000 0.000 0.257 489 Q C 0.028 175.918 176.000 -0.184 0.000 0.941 489 Q CA -0.073 55.447 55.803 -0.473 0.000 0.912 489 Q CB 0.687 29.400 28.738 -0.041 0.000 1.192 489 Q HN 0.653 nan 8.270 nan 0.000 0.410 490 T N 0.000 114.473 114.554 -0.134 0.000 3.816 490 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 490 T CA 0.000 62.072 62.100 -0.046 0.000 1.349 490 T CB 0.000 68.855 68.868 -0.022 0.000 0.612 490 T HN 0.000 nan 8.240 nan 0.000 0.658